smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1 ZINC000090223204 185287159 /nfs/dbraw/zinc/28/71/59/185287159.db2.gz WHJYXRNWQGAXOS-RDTXWAMCSA-N 1 1 312.461 4.115 10 0 DIAEMO C[NH+](C)CCNc1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000006437020 181341673 /nfs/dbraw/zinc/34/16/73/181341673.db2.gz WUUSWESBGKCYHF-UHFFFAOYSA-N 1 1 309.388 4.014 10 0 DIAEMO [NH3+][C@H](c1cc2cc(Br)ccc2o1)c1ccc(F)cc1 ZINC000020389747 182213984 /nfs/dbraw/zinc/21/39/84/182213984.db2.gz XDZPIQXPVSIJGI-HNNXBMFYSA-N 1 1 320.161 4.383 10 0 DIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CSC(F)F)o2)o1 ZINC000035015526 182747515 /nfs/dbraw/zinc/74/75/15/182747515.db2.gz CQBVIDNLUHJCLR-SNVBAGLBSA-N 1 1 301.358 4.488 10 0 DIAEMO NC[C@@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCCCC1 ZINC000039795089 183022308 /nfs/dbraw/zinc/02/23/08/183022308.db2.gz RUOLVZCDVLNEST-NRFANRHFSA-N 1 1 324.468 4.141 10 0 DIAEMO CC(C)C[C@@H](C)[N@H+](C)CC(=O)c1sccc1Br ZINC000042586500 183287468 /nfs/dbraw/zinc/28/74/68/183287468.db2.gz YKXOMFUIZDFFTB-SNVBAGLBSA-N 1 1 318.280 4.060 10 0 DIAEMO CC(C)C[C@@H](C)[N@@H+](C)CC(=O)c1sccc1Br ZINC000042586500 183287469 /nfs/dbraw/zinc/28/74/69/183287469.db2.gz YKXOMFUIZDFFTB-SNVBAGLBSA-N 1 1 318.280 4.060 10 0 DIAEMO CC(C)[N@@H+](CC1CC1)[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000042587955 183287719 /nfs/dbraw/zinc/28/77/19/183287719.db2.gz KAJUAUJOIIDZMF-GFCCVEGCSA-N 1 1 324.262 4.141 10 0 DIAEMO Cc1cccnc1C[C@H](C)[N@@H+](C)Cc1ccnc2ccccc12 ZINC000065468313 184351039 /nfs/dbraw/zinc/35/10/39/184351039.db2.gz JZVYMOXVSGXGQI-INIZCTEOSA-N 1 1 305.425 4.001 10 0 DIAEMO C(CC1CCCC1)C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000119694773 195019484 /nfs/dbraw/zinc/01/94/84/195019484.db2.gz XVMKUXGUWRKAGX-KRWDZBQOSA-N 1 1 316.493 4.112 10 0 DIAEMO CC[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(OC)cc1 ZINC000120430047 333282386 /nfs/dbraw/zinc/28/23/86/333282386.db2.gz SRDZJWZGNZSSJE-VQTJNVASSA-N 1 1 312.457 4.039 10 0 DIAEMO [NH3+][C@@H]1CCC[C@H]2CN(Cc3sc4ccccc4c3Cl)C[C@H]21 ZINC000228472829 333385919 /nfs/dbraw/zinc/38/59/19/333385919.db2.gz IGNQYYLYNXFGPH-IACUBPJLSA-N 1 1 320.889 4.114 10 0 DIAEMO Cc1csc([C@@H]2CCC[N@@H+](CCc3ccc(F)c(F)c3)C2)n1 ZINC000152007842 333397856 /nfs/dbraw/zinc/39/78/56/333397856.db2.gz ZPNLGFAIPAWVNB-CQSZACIVSA-N 1 1 322.424 4.152 10 0 DIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2F)o1 ZINC000394911312 334334155 /nfs/dbraw/zinc/33/41/55/334334155.db2.gz OIKLVNQEGAKGRC-SNVBAGLBSA-N 1 1 312.182 4.340 10 0 DIAEMO CCc1ccc(C[NH2+][C@H](C)c2ccccc2Br)o1 ZINC000051722667 335764588 /nfs/dbraw/zinc/76/45/88/335764588.db2.gz IWMOMYOKAKTBHY-LLVKDONJSA-N 1 1 308.219 4.455 10 0 DIAEMO Cc1ccccc1[C@H](C)[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC000102683625 335929758 /nfs/dbraw/zinc/92/97/58/335929758.db2.gz ISMMHSNTJVHSIJ-ZDUSSCGKSA-N 1 1 311.360 4.035 10 0 DIAEMO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1nc2ccccc2n1C ZINC000192725060 336259377 /nfs/dbraw/zinc/25/93/77/336259377.db2.gz XHXSEUUXOQDBJC-VXGBXAGGSA-N 1 1 315.367 4.263 10 0 DIAEMO CO[C@@H](C)c1nc(CN(C)c2cc[nH+]c3ccsc32)cs1 ZINC000301573045 336315746 /nfs/dbraw/zinc/31/57/46/336315746.db2.gz RULZMUNFBCAOAP-JTQLQIEISA-N 1 1 319.455 4.097 10 0 DIAEMO C[C@H](CNc1[nH]c2ccccc2[nH+]1)c1nc2ccccc2s1 ZINC000301884764 336336209 /nfs/dbraw/zinc/33/62/09/336336209.db2.gz OCYAJTDXONVSDO-LLVKDONJSA-N 1 1 308.410 4.388 10 0 DIAEMO COCC[C@H](Nc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000301898613 336336922 /nfs/dbraw/zinc/33/69/22/336336922.db2.gz XBVVKYWCFOWXGS-AWEZNQCLSA-N 1 1 315.804 4.406 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000122752095 337023379 /nfs/dbraw/zinc/02/33/79/337023379.db2.gz HRFYVMHCAOHRNX-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000122752095 337023380 /nfs/dbraw/zinc/02/33/80/337023380.db2.gz HRFYVMHCAOHRNX-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(F)c1 ZINC000171518833 337087783 /nfs/dbraw/zinc/08/77/83/337087783.db2.gz RCQIGIMJRFYICB-GUYCJALGSA-N 1 1 301.409 4.074 10 0 DIAEMO Cc1cccc([C@H]2CCCCC[N@H+]2Cc2nnc(C3CC3)n2C)c1 ZINC000172195448 337090229 /nfs/dbraw/zinc/09/02/29/337090229.db2.gz BWVMEEQDRNANFS-GOSISDBHSA-N 1 1 324.472 4.118 10 0 DIAEMO Cc1cccc([C@H]2CCCCC[N@@H+]2Cc2nnc(C3CC3)n2C)c1 ZINC000172195448 337090230 /nfs/dbraw/zinc/09/02/30/337090230.db2.gz BWVMEEQDRNANFS-GOSISDBHSA-N 1 1 324.472 4.118 10 0 DIAEMO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1 ZINC000173452822 337135306 /nfs/dbraw/zinc/13/53/06/337135306.db2.gz MCTRPMIGZNMEEC-IUODEOHRSA-N 1 1 318.852 4.070 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1csc2ccccc12 ZINC000178330767 337163962 /nfs/dbraw/zinc/16/39/62/337163962.db2.gz PAJSBFVKUIIJJL-MRXNPFEDSA-N 1 1 311.454 4.071 10 0 DIAEMO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cncc(F)c1 ZINC000178612251 337165390 /nfs/dbraw/zinc/16/53/90/337165390.db2.gz CEXFBSIZKCHGKP-IFXJQAMLSA-N 1 1 307.372 4.056 10 0 DIAEMO CC(C)n1cc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)cn1 ZINC000178613779 337165626 /nfs/dbraw/zinc/16/56/26/337165626.db2.gz NRXMMONPOWEYRC-JXFKEZNVSA-N 1 1 320.440 4.299 10 0 DIAEMO c1csc([C@H]2c3ccsc3CC[N@@H+]2Cc2cc[nH]c2)c1 ZINC000179756552 337171773 /nfs/dbraw/zinc/17/17/73/337171773.db2.gz VVCMJQMAICMTKZ-MRXNPFEDSA-N 1 1 300.452 4.285 10 0 DIAEMO CC(C)(C)OC(=O)CCCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000181651663 337183585 /nfs/dbraw/zinc/18/35/85/337183585.db2.gz JEJPMDNHCNFAIP-CQSZACIVSA-N 1 1 324.490 4.182 10 0 DIAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3ncc(C(C)C)s3)C2)n1 ZINC000183032752 337191115 /nfs/dbraw/zinc/19/11/15/337191115.db2.gz JWQWDTXRQRADFJ-ZDUSSCGKSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1csc([C@H]2CCC[N@H+](Cc3ncc(C(C)C)s3)C2)n1 ZINC000183032752 337191116 /nfs/dbraw/zinc/19/11/16/337191116.db2.gz JWQWDTXRQRADFJ-ZDUSSCGKSA-N 1 1 321.515 4.411 10 0 DIAEMO FC(F)(F)C1CCC(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000185506394 337248642 /nfs/dbraw/zinc/24/86/42/337248642.db2.gz VFPFIRDFMCRXQL-JXQTWKCFSA-N 1 1 315.383 4.305 10 0 DIAEMO FC(F)(F)C1CCC(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000185506375 337248683 /nfs/dbraw/zinc/24/86/83/337248683.db2.gz VFPFIRDFMCRXQL-RUXDESIVSA-N 1 1 315.383 4.305 10 0 DIAEMO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186053819 337253156 /nfs/dbraw/zinc/25/31/56/337253156.db2.gz GKSGQEQJAKPZPI-YCRPNKLZSA-N 1 1 315.420 4.167 10 0 DIAEMO C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000190669261 337289488 /nfs/dbraw/zinc/28/94/88/337289488.db2.gz WMOFPNAZMSDESZ-CYBMUJFWSA-N 1 1 313.351 4.001 10 0 DIAEMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116289760 337392521 /nfs/dbraw/zinc/39/25/21/337392521.db2.gz LHMQHOCMRFYQIP-NVXWUHKLSA-N 1 1 312.413 4.061 10 0 DIAEMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116289760 337392522 /nfs/dbraw/zinc/39/25/22/337392522.db2.gz LHMQHOCMRFYQIP-NVXWUHKLSA-N 1 1 312.413 4.061 10 0 DIAEMO Oc1cccc2c1CC[C@H]2[NH2+]Cc1c(Cl)cccc1Cl ZINC000451175980 338724687 /nfs/dbraw/zinc/72/46/87/338724687.db2.gz NMSWIWBZOPVCQX-OAHLLOKOSA-N 1 1 308.208 4.476 10 0 DIAEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3)C2)n1 ZINC000246204070 341333588 /nfs/dbraw/zinc/33/35/88/341333588.db2.gz YFYGZSXJSMIYSG-HZPDHXFCSA-N 1 1 313.420 4.024 10 0 DIAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)c1 ZINC000246839326 341357693 /nfs/dbraw/zinc/35/76/93/341357693.db2.gz VDTAEJNOAIBQGQ-KDOFPFPSSA-N 1 1 315.848 4.169 10 0 DIAEMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247223985 341362461 /nfs/dbraw/zinc/36/24/61/341362461.db2.gz XXNBLVZAYWAANJ-MSOLQXFVSA-N 1 1 315.436 4.464 10 0 DIAEMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247542267 341367088 /nfs/dbraw/zinc/36/70/88/341367088.db2.gz QYLOUTLQXMNFHF-YOEHRIQHSA-N 1 1 312.413 4.006 10 0 DIAEMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247542267 341367089 /nfs/dbraw/zinc/36/70/89/341367089.db2.gz QYLOUTLQXMNFHF-YOEHRIQHSA-N 1 1 312.413 4.006 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)CCc1ccccc1 ZINC000247733229 341369711 /nfs/dbraw/zinc/36/97/11/341369711.db2.gz MJKNVHIVUUIDPP-DNVCBOLYSA-N 1 1 311.473 4.195 10 0 DIAEMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000127689369 519857332 /nfs/dbraw/zinc/85/73/32/519857332.db2.gz WXVYBOXHRQBONH-AWEZNQCLSA-N 1 1 301.459 4.041 10 0 DIAEMO Cc1cccc(N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)[nH+]1 ZINC000157563050 524541281 /nfs/dbraw/zinc/54/12/81/524541281.db2.gz FLFGWYQQUBXHEH-QGZVFWFLSA-N 1 1 318.424 4.164 10 0 DIAEMO COc1ccnc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)c1OC ZINC000191038771 524835653 /nfs/dbraw/zinc/83/56/53/524835653.db2.gz VYFJDBCLSJDQOC-AWEZNQCLSA-N 1 1 322.408 4.103 10 0 DIAEMO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1nc2ccccc2o1 ZINC000182423031 525660235 /nfs/dbraw/zinc/66/02/35/525660235.db2.gz JGYSKDZGMRYPER-CHWSQXEVSA-N 1 1 324.380 4.011 10 0 DIAEMO Cc1cnc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)s1 ZINC000180511493 526015947 /nfs/dbraw/zinc/01/59/47/526015947.db2.gz VBZCVIHJEZKCCO-CYBMUJFWSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)c1 ZINC000106225555 526266204 /nfs/dbraw/zinc/26/62/04/526266204.db2.gz WAXMMBMZZDWBAI-OAHLLOKOSA-N 1 1 323.362 4.047 10 0 DIAEMO Cc1csc([C@@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)n1 ZINC000157071797 526423111 /nfs/dbraw/zinc/42/31/11/526423111.db2.gz PCTGOQKPVWDLCM-SFHVURJKSA-N 1 1 324.449 4.178 10 0 DIAEMO Cc1csc([C@@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)n1 ZINC000157071797 526423119 /nfs/dbraw/zinc/42/31/19/526423119.db2.gz PCTGOQKPVWDLCM-SFHVURJKSA-N 1 1 324.449 4.178 10 0 DIAEMO Cc1csc([C@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)n1 ZINC000157071965 526445903 /nfs/dbraw/zinc/44/59/03/526445903.db2.gz PCTGOQKPVWDLCM-GOSISDBHSA-N 1 1 324.449 4.178 10 0 DIAEMO Cc1csc([C@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)n1 ZINC000157071965 526445910 /nfs/dbraw/zinc/44/59/10/526445910.db2.gz PCTGOQKPVWDLCM-GOSISDBHSA-N 1 1 324.449 4.178 10 0 DIAEMO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000188238712 527458099 /nfs/dbraw/zinc/45/80/99/527458099.db2.gz SUSSNRCPXQPESY-DOTOQJQBSA-N 1 1 323.440 4.272 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000106210793 527660332 /nfs/dbraw/zinc/66/03/32/527660332.db2.gz BVDITAXBVHAXKQ-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000106210793 527660336 /nfs/dbraw/zinc/66/03/36/527660336.db2.gz BVDITAXBVHAXKQ-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000106210797 527662997 /nfs/dbraw/zinc/66/29/97/527662997.db2.gz BVDITAXBVHAXKQ-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000106210797 527663001 /nfs/dbraw/zinc/66/30/01/527663001.db2.gz BVDITAXBVHAXKQ-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2ccc3ccccc3n2)c1 ZINC000063835453 563485200 /nfs/dbraw/zinc/48/52/00/563485200.db2.gz CSJOOBRIEYIUTO-INIZCTEOSA-N 1 1 305.425 4.001 10 0 DIAEMO C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1Br ZINC000669378530 563869579 /nfs/dbraw/zinc/86/95/79/563869579.db2.gz FMGPUUGIGQDERP-SNVBAGLBSA-N 1 1 302.643 4.477 10 0 DIAEMO C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1Br ZINC000669378530 563869581 /nfs/dbraw/zinc/86/95/81/563869581.db2.gz FMGPUUGIGQDERP-SNVBAGLBSA-N 1 1 302.643 4.477 10 0 DIAEMO C[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(Cl)ccc1N2Cc1ccccc1 ZINC000536555938 563889598 /nfs/dbraw/zinc/88/95/98/563889598.db2.gz CSLZACPQIWUACW-PKOBYXMFSA-N 1 1 312.844 4.148 10 0 DIAEMO Cc1nc([C@@H](N[C@H](C)c2ccc(C)cc2C)c2ccccc2)n[nH]1 ZINC000162584943 1042129010 /nfs/dbraw/zinc/12/90/10/1042129010.db2.gz BIRDIWJWSLKHSM-BEFAXECRSA-N 1 1 320.440 4.170 10 0 DIAEMO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)c1 ZINC000124000958 1046453211 /nfs/dbraw/zinc/45/32/11/1046453211.db2.gz UFBPHPPAZDRIIF-GJZGRUSLSA-N 1 1 322.412 4.160 10 0 DIAEMO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)c1 ZINC000124000748 1046453527 /nfs/dbraw/zinc/45/35/27/1046453527.db2.gz UFBPHPPAZDRIIF-CABCVRRESA-N 1 1 322.412 4.160 10 0 DIAEMO CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000092788855 1047538327 /nfs/dbraw/zinc/53/83/27/1047538327.db2.gz ZAVGPJFLQSGOLH-GFCCVEGCSA-N 1 1 321.515 4.277 10 0 DIAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000090227009 185287781 /nfs/dbraw/zinc/28/77/81/185287781.db2.gz XFPWNAHULBVTID-DYVFJYSZSA-N 1 1 312.461 4.070 10 0 DIAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000090227005 185287792 /nfs/dbraw/zinc/28/77/92/185287792.db2.gz XFPWNAHULBVTID-GUYCJALGSA-N 1 1 312.461 4.070 10 0 DIAEMO C[C@H]1CCCC[N@H+]1CCCCCCOC(=O)c1ccccc1 ZINC000005751885 181281194 /nfs/dbraw/zinc/28/11/94/181281194.db2.gz REXBYBGSZJEITR-KRWDZBQOSA-N 1 1 303.446 4.278 10 0 DIAEMO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032511 182973769 /nfs/dbraw/zinc/97/37/69/182973769.db2.gz AAHFHUVZCBTTSI-GOSISDBHSA-N 1 1 300.833 4.432 10 0 DIAEMO CC(C)C[N@@H+](C(C)C)[C@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000042579239 183286001 /nfs/dbraw/zinc/28/60/01/183286001.db2.gz VEBNFRRMFGTEKD-OAHLLOKOSA-N 1 1 303.277 4.360 10 0 DIAEMO CC(C)CN(C(C)C)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042579239 183286004 /nfs/dbraw/zinc/28/60/04/183286004.db2.gz VEBNFRRMFGTEKD-OAHLLOKOSA-N 1 1 303.277 4.360 10 0 DIAEMO C[C@@H]([N@H+](C)CC(=O)c1sccc1Br)C(C)(C)C ZINC000042773998 183306717 /nfs/dbraw/zinc/30/67/17/183306717.db2.gz WXOROQMBARZYPT-SECBINFHSA-N 1 1 318.280 4.060 10 0 DIAEMO C[C@@H]([N@@H+](C)CC(=O)c1sccc1Br)C(C)(C)C ZINC000042773998 183306720 /nfs/dbraw/zinc/30/67/20/183306720.db2.gz WXOROQMBARZYPT-SECBINFHSA-N 1 1 318.280 4.060 10 0 DIAEMO CCC1CC[NH+](CCC(=O)c2ccccc2Br)CC1 ZINC000054014783 183919946 /nfs/dbraw/zinc/91/99/46/183919946.db2.gz MVJHIDUWGPAWQY-UHFFFAOYSA-N 1 1 324.262 4.144 10 0 DIAEMO Cc1csc([C@H]2CCC[N@@H+](CCc3ccc(F)c(F)c3)C2)n1 ZINC000152007930 333397775 /nfs/dbraw/zinc/39/77/75/333397775.db2.gz ZPNLGFAIPAWVNB-AWEZNQCLSA-N 1 1 322.424 4.152 10 0 DIAEMO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000329609910 336005235 /nfs/dbraw/zinc/00/52/35/336005235.db2.gz JCZMQHRLYOULSP-RRQGHBQHSA-N 1 1 311.429 4.324 10 0 DIAEMO Cc1csc(CN(C)c2cc[nH+]c3cc(Cl)ccc32)n1 ZINC000301286058 336298722 /nfs/dbraw/zinc/29/87/22/336298722.db2.gz MSFVSJUDSDQMJE-UHFFFAOYSA-N 1 1 303.818 4.290 10 0 DIAEMO Cc1cnc(CCNc2cc[nH+]c3cc(Cl)ccc23)s1 ZINC000301417359 336305376 /nfs/dbraw/zinc/30/53/76/336305376.db2.gz MIJXJVZGHWENLE-UHFFFAOYSA-N 1 1 303.818 4.308 10 0 DIAEMO C[C@@H](Nc1cc[nH+]c2ccsc21)c1cn(-c2ccccc2)nn1 ZINC000301623827 336319040 /nfs/dbraw/zinc/31/90/40/336319040.db2.gz ACMVZSKVWZZWIB-GFCCVEGCSA-N 1 1 321.409 4.050 10 0 DIAEMO COc1cccc2c(N3CCC[C@H]3c3ccco3)cc(C)[nH+]c12 ZINC000301667992 336322232 /nfs/dbraw/zinc/32/22/32/336322232.db2.gz MOKVPCGVAUVQJJ-HNNXBMFYSA-N 1 1 308.381 4.486 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000122818699 337026604 /nfs/dbraw/zinc/02/66/04/337026604.db2.gz ANZCKUVWIAJHKW-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000122818699 337026605 /nfs/dbraw/zinc/02/66/05/337026605.db2.gz ANZCKUVWIAJHKW-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccs1 ZINC000171111319 337086656 /nfs/dbraw/zinc/08/66/56/337086656.db2.gz CGWFRXHTIDBRJR-JTQLQIEISA-N 1 1 319.817 4.302 10 0 DIAEMO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc2ccccc2c1 ZINC000171117886 337086830 /nfs/dbraw/zinc/08/68/30/337086830.db2.gz OIPJXGSLMMVGNQ-ZDUSSCGKSA-N 1 1 319.364 4.334 10 0 DIAEMO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc2ccccc2c1 ZINC000171117889 337086864 /nfs/dbraw/zinc/08/68/64/337086864.db2.gz OIPJXGSLMMVGNQ-CYBMUJFWSA-N 1 1 319.364 4.334 10 0 DIAEMO COc1cc(C[N@H+]2CCC[C@H]2c2ccco2)ccc1OC(F)F ZINC000172097798 337089857 /nfs/dbraw/zinc/08/98/57/337089857.db2.gz OOSFBYJTYCHWPY-ZDUSSCGKSA-N 1 1 323.339 4.227 10 0 DIAEMO Cc1cccc([C@@H]2CCCCC[N@H+]2Cc2nnc(C3CC3)n2C)c1 ZINC000172195443 337090225 /nfs/dbraw/zinc/09/02/25/337090225.db2.gz BWVMEEQDRNANFS-SFHVURJKSA-N 1 1 324.472 4.118 10 0 DIAEMO Cc1cccc([C@@H]2CCCCC[N@@H+]2Cc2nnc(C3CC3)n2C)c1 ZINC000172195443 337090226 /nfs/dbraw/zinc/09/02/26/337090226.db2.gz BWVMEEQDRNANFS-SFHVURJKSA-N 1 1 324.472 4.118 10 0 DIAEMO CCn1c(C)nnc1C[N@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000172195486 337090284 /nfs/dbraw/zinc/09/02/84/337090284.db2.gz XJBFCNFDIUUCJF-SFHVURJKSA-N 1 1 312.461 4.032 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc2ccccc21 ZINC000173625480 337136919 /nfs/dbraw/zinc/13/69/19/337136919.db2.gz GDMFNUNJERRVMZ-CABCVRRESA-N 1 1 320.440 4.179 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1nnc2n1CCCC2 ZINC000173631216 337136991 /nfs/dbraw/zinc/13/69/91/337136991.db2.gz JPZMHJJOFJEMDV-LSDHHAIUSA-N 1 1 320.440 4.179 10 0 DIAEMO Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@@H]3c3ccco3)o2)c1 ZINC000175238827 337146395 /nfs/dbraw/zinc/14/63/95/337146395.db2.gz JSGYPUASBRRJOY-OAHLLOKOSA-N 1 1 312.344 4.411 10 0 DIAEMO Fc1cccc(-c2cnc(C[N@H+]3CCC[C@@H]3c3ccco3)o2)c1 ZINC000175238827 337146396 /nfs/dbraw/zinc/14/63/96/337146396.db2.gz JSGYPUASBRRJOY-OAHLLOKOSA-N 1 1 312.344 4.411 10 0 DIAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178530701 337163499 /nfs/dbraw/zinc/16/34/99/337163499.db2.gz SIUMIWURGRDXBX-INIZCTEOSA-N 1 1 309.413 4.029 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000178312486 337163865 /nfs/dbraw/zinc/16/38/65/337163865.db2.gz QQSGFXCVRJQZDU-CQSZACIVSA-N 1 1 324.255 4.163 10 0 DIAEMO C[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc2ccccc2c1 ZINC000181617430 337183399 /nfs/dbraw/zinc/18/33/99/337183399.db2.gz DDHCUQRDRQIBKV-AWEZNQCLSA-N 1 1 320.440 4.087 10 0 DIAEMO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186053799 337253258 /nfs/dbraw/zinc/25/32/58/337253258.db2.gz GKSGQEQJAKPZPI-QVKFZJNVSA-N 1 1 315.420 4.167 10 0 DIAEMO CC[C@@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1cccs1 ZINC000189184938 337277244 /nfs/dbraw/zinc/27/72/44/337277244.db2.gz VWSXDPAJFSGAGR-CYBMUJFWSA-N 1 1 317.389 4.178 10 0 DIAEMO CC[C@@H]([NH2+][C@H](C)c1nnnn1C1CCCCC1)c1cccs1 ZINC000189927546 337283968 /nfs/dbraw/zinc/28/39/68/337283968.db2.gz CRPWNPQGPFLFBL-TZMCWYRMSA-N 1 1 319.478 4.042 10 0 DIAEMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000192028755 337301980 /nfs/dbraw/zinc/30/19/80/337301980.db2.gz YOIGBGGWYNXBRH-SFHVURJKSA-N 1 1 307.397 4.111 10 0 DIAEMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000192028747 337302071 /nfs/dbraw/zinc/30/20/71/337302071.db2.gz YOIGBGGWYNXBRH-GOSISDBHSA-N 1 1 307.397 4.111 10 0 DIAEMO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]3c3ccco3)o2)cc1 ZINC000116297552 337392453 /nfs/dbraw/zinc/39/24/53/337392453.db2.gz MDFGYHBGFPVROV-INIZCTEOSA-N 1 1 324.380 4.280 10 0 DIAEMO COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]3c3ccco3)o2)cc1 ZINC000116297552 337392454 /nfs/dbraw/zinc/39/24/54/337392454.db2.gz MDFGYHBGFPVROV-INIZCTEOSA-N 1 1 324.380 4.280 10 0 DIAEMO Cc1ccc2c(C[N@H+]3CCC[C@H]3c3ccco3)cc(=O)oc2c1 ZINC000116295751 337392481 /nfs/dbraw/zinc/39/24/81/337392481.db2.gz OHRFSCXJGSGWSB-INIZCTEOSA-N 1 1 309.365 4.032 10 0 DIAEMO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(Cl)s1 ZINC000131116298 337436296 /nfs/dbraw/zinc/43/62/96/337436296.db2.gz WDUYPCRNJSBAGQ-MNOVXSKESA-N 1 1 324.881 4.131 10 0 DIAEMO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247005139 341359735 /nfs/dbraw/zinc/35/97/35/341359735.db2.gz KZEBLQHBEWONRP-YJBOKZPZSA-N 1 1 319.399 4.085 10 0 DIAEMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247567521 341367552 /nfs/dbraw/zinc/36/75/52/341367552.db2.gz VZPNJLKPOLPMEQ-WCQYABFASA-N 1 1 324.255 4.277 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](C)Cc1ccccc1 ZINC000249451657 341397780 /nfs/dbraw/zinc/39/77/80/341397780.db2.gz ONFOOPKYJAGLTL-DNVCBOLYSA-N 1 1 311.473 4.053 10 0 DIAEMO CCCCC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccccc1 ZINC000181743131 520313861 /nfs/dbraw/zinc/31/38/61/520313861.db2.gz SNQNQOXNOQFOPI-KRWDZBQOSA-N 1 1 312.461 4.104 10 0 DIAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000106212208 522598822 /nfs/dbraw/zinc/59/88/22/522598822.db2.gz FTNFZCFUKNTNJD-ZFWWWQNUSA-N 1 1 319.399 4.122 10 0 DIAEMO CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000181423562 523156278 /nfs/dbraw/zinc/15/62/78/523156278.db2.gz MNRWNCSNLNRKGK-OAHLLOKOSA-N 1 1 320.440 4.124 10 0 DIAEMO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc2ccccc2c1 ZINC000190677168 525475180 /nfs/dbraw/zinc/47/51/80/525475180.db2.gz WAJYUTCYHUMOIJ-AWEZNQCLSA-N 1 1 308.429 4.037 10 0 DIAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000156974938 526442982 /nfs/dbraw/zinc/44/29/82/526442982.db2.gz ADSXSZYSRLFOKU-ZDUSSCGKSA-N 1 1 308.397 4.109 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000106211748 527659458 /nfs/dbraw/zinc/65/94/58/527659458.db2.gz OLSMGEBWPRCEET-INIZCTEOSA-N 1 1 303.837 4.027 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000106211790 527663220 /nfs/dbraw/zinc/66/32/20/527663220.db2.gz TUHROWJOENWEGN-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1c(F)cccc1Cl ZINC000106211790 527663223 /nfs/dbraw/zinc/66/32/23/527663223.db2.gz TUHROWJOENWEGN-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2CCc1ccccc1 ZINC000001481896 563284846 /nfs/dbraw/zinc/28/48/46/563284846.db2.gz ZQHYKVKNPWDQSL-KNXBSLHKSA-N 1 1 321.464 4.159 10 0 in-man DIAEMO CC[N@@H+](C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012075781 563361895 /nfs/dbraw/zinc/36/18/95/563361895.db2.gz PWONLFLWEQGOLA-UHFFFAOYSA-N 1 1 321.424 4.331 10 0 DIAEMO C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@H+]2CCc1ccccc1 ZINC000014952534 563404850 /nfs/dbraw/zinc/40/48/50/563404850.db2.gz ZQHYKVKNPWDQSL-SSKFGXFMSA-N 1 1 321.464 4.159 10 0 in-man DIAEMO C[NH+]1CCC(=C2c3ccsc3CC(=O)c3ccccc32)CC1 ZINC000077312124 563816839 /nfs/dbraw/zinc/81/68/39/563816839.db2.gz VKHZVYSAANYDBM-UHFFFAOYSA-N 1 1 309.434 4.014 10 0 in-vitro DIAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685953308 563961381 /nfs/dbraw/zinc/96/13/81/563961381.db2.gz VSMKLPRTMJFQHL-JTDSTZFVSA-N 1 1 324.509 4.144 10 0 DIAEMO CC[N@@H+](CC(C)C)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685953648 563961385 /nfs/dbraw/zinc/96/13/85/563961385.db2.gz YCIXGJJWLMJYSE-SFHVURJKSA-N 1 1 312.498 4.144 10 0 DIAEMO Cc1nc([C@@H](N[C@@H](C)c2ccc(C)cc2C)c2ccccc2)n[nH]1 ZINC000162585055 1042128987 /nfs/dbraw/zinc/12/89/87/1042128987.db2.gz BIRDIWJWSLKHSM-KXBFYZLASA-N 1 1 320.440 4.170 10 0 DIAEMO Cc1nc([C@H](N[C@H](C)c2ccc(C)cc2C)c2ccccc2)n[nH]1 ZINC000162585182 1042129720 /nfs/dbraw/zinc/12/97/20/1042129720.db2.gz BIRDIWJWSLKHSM-DNVCBOLYSA-N 1 1 320.440 4.170 10 0 DIAEMO CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245435601 1046605709 /nfs/dbraw/zinc/60/57/09/1046605709.db2.gz QNQBVYMCNWKKCK-KKSFZXQISA-N 1 1 322.452 4.189 10 0 DIAEMO CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245435601 1046605717 /nfs/dbraw/zinc/60/57/17/1046605717.db2.gz QNQBVYMCNWKKCK-KKSFZXQISA-N 1 1 322.452 4.189 10 0 DIAEMO Cc1noc([C@@H]2CCC[N@H+](C[C@H](C)c3cccc(Cl)c3)C2)n1 ZINC000249168854 1046857503 /nfs/dbraw/zinc/85/75/03/1046857503.db2.gz AGONAGKFRLZPHK-SWLSCSKDSA-N 1 1 319.836 4.015 10 0 DIAEMO O[C@H](C[N@@H+]1CCCC[C@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000249853793 1046864825 /nfs/dbraw/zinc/86/48/25/1046864825.db2.gz CPGIDOWULSQMTC-LSDHHAIUSA-N 1 1 322.861 4.057 10 0 DIAEMO O[C@H](C[N@H+]1CCCC[C@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000249853793 1046864838 /nfs/dbraw/zinc/86/48/38/1046864838.db2.gz CPGIDOWULSQMTC-LSDHHAIUSA-N 1 1 322.861 4.057 10 0 DIAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000088560130 185257840 /nfs/dbraw/zinc/25/78/40/185257840.db2.gz QIRVBAMKTVHVIV-KDOFPFPSSA-N 1 1 320.440 4.179 10 0 DIAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)c2ccccc12 ZINC000090530855 185301032 /nfs/dbraw/zinc/30/10/32/185301032.db2.gz UDKUHAJWDBRPAX-DZGCQCFKSA-N 1 1 323.440 4.162 10 0 DIAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)c2ccccc12 ZINC000090530851 185301174 /nfs/dbraw/zinc/30/11/74/185301174.db2.gz UDKUHAJWDBRPAX-UKRRQHHQSA-N 1 1 323.440 4.162 10 0 DIAEMO C[C@@H]1[N@H+](CC(=O)c2ccccc2)CCC[C@]1(C)c1cccc(O)c1 ZINC000005752294 181280681 /nfs/dbraw/zinc/28/06/81/181280681.db2.gz XMSWGYQEWPUOKA-KKSFZXQISA-N 1 1 323.436 4.017 10 0 in-man DIAEMO C[C@@H]1[N@@H+](CC(=O)c2ccccc2)CCC[C@]1(C)c1cccc(O)c1 ZINC000005752294 181280684 /nfs/dbraw/zinc/28/06/84/181280684.db2.gz XMSWGYQEWPUOKA-KKSFZXQISA-N 1 1 323.436 4.017 10 0 in-man DIAEMO Fc1ccccc1C[N@@H+]1CCc2onc(-c3ccccc3)c2C1 ZINC000020784185 182247324 /nfs/dbraw/zinc/24/73/24/182247324.db2.gz RGJMJJWAKBLMEC-UHFFFAOYSA-N 1 1 308.356 4.039 10 0 DIAEMO Fc1ccccc1C[N@H+]1CCc2onc(-c3ccccc3)c2C1 ZINC000020784185 182247327 /nfs/dbraw/zinc/24/73/27/182247327.db2.gz RGJMJJWAKBLMEC-UHFFFAOYSA-N 1 1 308.356 4.039 10 0 DIAEMO Cc1ccc(C[NH2+]CC2(N3CCCC3)CCC(C)CC2)cc1 ZINC000040165699 183042470 /nfs/dbraw/zinc/04/24/70/183042470.db2.gz FWPCEABYDVNMKI-UHFFFAOYSA-N 1 1 300.490 4.129 10 0 DIAEMO CCCCC[N@@H+](Cc1ccc(N)cc1Br)C(C)C ZINC000042554018 183283793 /nfs/dbraw/zinc/28/37/93/183283793.db2.gz QSSSOHWRFLWXIW-UHFFFAOYSA-N 1 1 313.283 4.432 10 0 DIAEMO CC(C)C[N@H+]([C@@H](CN)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042555938 183284619 /nfs/dbraw/zinc/28/46/19/183284619.db2.gz KLBQMGUWUKJBCD-HNNXBMFYSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)C[N@@H+]([C@@H](CN)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042555938 183284622 /nfs/dbraw/zinc/28/46/22/183284622.db2.gz KLBQMGUWUKJBCD-HNNXBMFYSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)C[C@H](C)[N@H+](C)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000042563439 183285034 /nfs/dbraw/zinc/28/50/34/183285034.db2.gz SXWZVVUBMUBGJW-NHYWBVRUSA-N 1 1 303.277 4.360 10 0 DIAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000042563439 183285036 /nfs/dbraw/zinc/28/50/36/183285036.db2.gz SXWZVVUBMUBGJW-NHYWBVRUSA-N 1 1 303.277 4.360 10 0 DIAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)c1ccc(Br)cc1 ZINC000042608973 183290483 /nfs/dbraw/zinc/29/04/83/183290483.db2.gz NMUBPZQZABQYCX-IUODEOHRSA-N 1 1 324.262 4.142 10 0 DIAEMO CCc1oc2ccccc2c1[C@@H]([NH3+])c1ccc(Br)o1 ZINC000061876812 184191405 /nfs/dbraw/zinc/19/14/05/184191405.db2.gz OPCNIVJTPWFOOB-HNNXBMFYSA-N 1 1 320.186 4.399 10 0 DIAEMO CCc1ccc2[nH+]ccc(Nc3ccccc3C(=O)OC)c2c1 ZINC000065005372 184308375 /nfs/dbraw/zinc/30/83/75/184308375.db2.gz MCZOKKNGNFVRSW-UHFFFAOYSA-N 1 1 306.365 4.327 10 0 DIAEMO CCCC[N@H+]1CC[C@H](N(CCC)C(=O)OC(C)(C)C)C[C@H]1C ZINC000242688163 257259580 /nfs/dbraw/zinc/25/95/80/257259580.db2.gz VIQAJHJJZNBPFD-CVEARBPZSA-N 1 1 312.498 4.287 10 0 DIAEMO CC(C)n1cncc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000090207892 331822399 /nfs/dbraw/zinc/82/23/99/331822399.db2.gz UHWTWBTWMLATNM-LBPRGKRZSA-N 1 1 322.250 4.077 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000188963964 333059367 /nfs/dbraw/zinc/05/93/67/333059367.db2.gz UBAZKOSNPHIAEM-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000188963964 333059368 /nfs/dbraw/zinc/05/93/68/333059368.db2.gz UBAZKOSNPHIAEM-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc2ccccc2n1 ZINC000178443749 333138856 /nfs/dbraw/zinc/13/88/56/333138856.db2.gz UXJLSHZZKMLYOT-IIBYNOLFSA-N 1 1 319.452 4.188 10 0 DIAEMO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1nc2ccccc2n1C ZINC000192725027 336259379 /nfs/dbraw/zinc/25/93/79/336259379.db2.gz XHXSEUUXOQDBJC-RYUDHWBXSA-N 1 1 315.367 4.263 10 0 DIAEMO COc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)c(F)c1 ZINC000193002935 336286825 /nfs/dbraw/zinc/28/68/25/336286825.db2.gz UCOTUGVBPMJBER-SJCJKPOMSA-N 1 1 301.361 4.009 10 0 DIAEMO COc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)c(F)c1 ZINC000193002923 336286948 /nfs/dbraw/zinc/28/69/48/336286948.db2.gz UCOTUGVBPMJBER-SJKOYZFVSA-N 1 1 301.361 4.009 10 0 DIAEMO Cc1ccc([C@](C)(O)CNc2cc[nH+]c3ccc(Cl)cc23)o1 ZINC000301429747 336306200 /nfs/dbraw/zinc/30/62/00/336306200.db2.gz PZJVQUJKLILMMQ-QGZVFWFLSA-N 1 1 316.788 4.109 10 0 DIAEMO Fc1cccc(C2(CNc3cc[nH+]cc3Cl)CCOCC2)c1 ZINC000301601971 336317764 /nfs/dbraw/zinc/31/77/64/336317764.db2.gz VWQWZKIGPFLPRF-UHFFFAOYSA-N 1 1 320.795 4.034 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000122782969 337023945 /nfs/dbraw/zinc/02/39/45/337023945.db2.gz LSZIEWCRPWHWOG-VUCTXSBTSA-N 1 1 313.445 4.090 10 0 DIAEMO C[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1ncc(-c2ccccc2)o1 ZINC000173990381 337137547 /nfs/dbraw/zinc/13/75/47/337137547.db2.gz DMXHDVYCLBAIEV-AWEZNQCLSA-N 1 1 319.408 4.460 10 0 DIAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178530695 337163485 /nfs/dbraw/zinc/16/34/85/337163485.db2.gz SIUMIWURGRDXBX-MRXNPFEDSA-N 1 1 309.413 4.029 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000179541163 337170133 /nfs/dbraw/zinc/17/01/33/337170133.db2.gz GQJHOQBZLGYMDD-HNNXBMFYSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000179541163 337170134 /nfs/dbraw/zinc/17/01/34/337170134.db2.gz GQJHOQBZLGYMDD-HNNXBMFYSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000180120284 337171448 /nfs/dbraw/zinc/17/14/48/337171448.db2.gz PEUMXIZNQZSAEN-SFHVURJKSA-N 1 1 321.424 4.116 10 0 DIAEMO CC[C@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1cccs1 ZINC000184089219 337196172 /nfs/dbraw/zinc/19/61/72/337196172.db2.gz MJGWJMWDJPFSPA-NSHDSACASA-N 1 1 305.428 4.101 10 0 DIAEMO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)c(C)n1 ZINC000186935469 337260415 /nfs/dbraw/zinc/26/04/15/337260415.db2.gz INTBSVMLEUODMR-LJQANCHMSA-N 1 1 310.441 4.051 10 0 DIAEMO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)OCC2(C)C)c(C)n1 ZINC000186935469 337260416 /nfs/dbraw/zinc/26/04/16/337260416.db2.gz INTBSVMLEUODMR-LJQANCHMSA-N 1 1 310.441 4.051 10 0 DIAEMO Cc1ccc2cc(C[N@H+]3CCC[C@@H](c4nccs4)C3)ccc2n1 ZINC000187107403 337262619 /nfs/dbraw/zinc/26/26/19/337262619.db2.gz UWUFFXDSCSUMLG-QGZVFWFLSA-N 1 1 323.465 4.379 10 0 DIAEMO COc1ccc2nc(C[NH2+][C@@H](C)c3ccc(C)o3)sc2c1 ZINC000187494285 337266301 /nfs/dbraw/zinc/26/63/01/337266301.db2.gz UGDRGLFSRLCJGQ-NSHDSACASA-N 1 1 302.399 4.057 10 0 DIAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccsc1Cl ZINC000188748357 337274643 /nfs/dbraw/zinc/27/46/43/337274643.db2.gz LZKJFEXRDNFZET-OCCSQVGLSA-N 1 1 321.877 4.119 10 0 DIAEMO CC[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1cccs1 ZINC000189927508 337283781 /nfs/dbraw/zinc/28/37/81/337283781.db2.gz CRPWNPQGPFLFBL-GXTWGEPZSA-N 1 1 319.478 4.042 10 0 DIAEMO C[C@@]1(O)CC[N@H+]2C[C@H](c3ccc(Cl)cc3Cl)CC[C@H]2C1 ZINC000584625668 337375685 /nfs/dbraw/zinc/37/56/85/337375685.db2.gz OJZRFDLUIISVOS-PVXIVEMSSA-N 1 1 314.256 4.086 10 0 DIAEMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)c1C ZINC000116298359 337392537 /nfs/dbraw/zinc/39/25/37/337392537.db2.gz GHYCEZQXHWIPRZ-NVXWUHKLSA-N 1 1 312.413 4.061 10 0 DIAEMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c1C ZINC000116298359 337392538 /nfs/dbraw/zinc/39/25/38/337392538.db2.gz GHYCEZQXHWIPRZ-NVXWUHKLSA-N 1 1 312.413 4.061 10 0 DIAEMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccco3)co2)cc1 ZINC000116293936 337392604 /nfs/dbraw/zinc/39/26/04/337392604.db2.gz HSRARKFTXIBCSJ-KRWDZBQOSA-N 1 1 324.380 4.280 10 0 DIAEMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccco3)co2)cc1 ZINC000116293936 337392605 /nfs/dbraw/zinc/39/26/05/337392605.db2.gz HSRARKFTXIBCSJ-KRWDZBQOSA-N 1 1 324.380 4.280 10 0 DIAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000091377477 337892157 /nfs/dbraw/zinc/89/21/57/337892157.db2.gz MQMCYYJKLKFZEF-JKSUJKDBSA-N 1 1 318.852 4.062 10 0 DIAEMO CCn1cc(C2CC[NH+](Cc3cc(Cl)ccc3F)CC2)cn1 ZINC000092809311 337909250 /nfs/dbraw/zinc/90/92/50/337909250.db2.gz OYJPTUADJHGMDE-UHFFFAOYSA-N 1 1 321.827 4.075 10 0 DIAEMO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(O)c1Br ZINC000315076322 337980398 /nfs/dbraw/zinc/98/03/98/337980398.db2.gz XVMGHVXGKFXWCC-LBPRGKRZSA-N 1 1 320.230 4.314 10 0 DIAEMO CC1(C)C[C@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc2O1 ZINC000153069667 338215884 /nfs/dbraw/zinc/21/58/84/338215884.db2.gz HLHZEOQKGOGNGE-INIZCTEOSA-N 1 1 303.352 4.357 10 0 DIAEMO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000070984351 341020886 /nfs/dbraw/zinc/02/08/86/341020886.db2.gz JYFWEGCYRSLDMX-NXEZZACHSA-N 1 1 316.348 4.454 10 0 DIAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(C)(C)C)s2)cn1 ZINC000131914257 341113524 /nfs/dbraw/zinc/11/35/24/341113524.db2.gz TYYYPWYFBIIIPT-HNNXBMFYSA-N 1 1 303.475 4.116 10 0 DIAEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)no1 ZINC000245875763 341317035 /nfs/dbraw/zinc/31/70/35/341317035.db2.gz XXXWGQGYRKMYQC-OCCSQVGLSA-N 1 1 319.836 4.047 10 0 DIAEMO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246157547 341330048 /nfs/dbraw/zinc/33/00/48/341330048.db2.gz QNLLASAYYNDOHD-KBXCAEBGSA-N 1 1 324.449 4.431 10 0 DIAEMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246157547 341330049 /nfs/dbraw/zinc/33/00/49/341330049.db2.gz QNLLASAYYNDOHD-KBXCAEBGSA-N 1 1 324.449 4.431 10 0 DIAEMO Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3)C2)n1 ZINC000246204063 341333619 /nfs/dbraw/zinc/33/36/19/341333619.db2.gz YFYGZSXJSMIYSG-CVEARBPZSA-N 1 1 313.420 4.024 10 0 DIAEMO COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000247272378 341362958 /nfs/dbraw/zinc/36/29/58/341362958.db2.gz WJOQMBYPHMVGPY-GDBMZVCRSA-N 1 1 316.470 4.401 10 0 DIAEMO C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247572531 341367821 /nfs/dbraw/zinc/36/78/21/341367821.db2.gz WXBQGEKGAKMCRY-VXGBXAGGSA-N 1 1 324.255 4.277 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CCc3cccnc3)C2)n1 ZINC000172922823 519856731 /nfs/dbraw/zinc/85/67/31/519856731.db2.gz FWWLGRAOUVPFLI-MRXNPFEDSA-N 1 1 315.486 4.084 10 0 DIAEMO CCCCC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccccc1 ZINC000181743148 520295298 /nfs/dbraw/zinc/29/52/98/520295298.db2.gz SNQNQOXNOQFOPI-QGZVFWFLSA-N 1 1 312.461 4.104 10 0 DIAEMO CCCCC[C@H]([NH2+]Cc1nnc(C)n1CC)c1ccccc1 ZINC000181744247 520313830 /nfs/dbraw/zinc/31/38/30/520313830.db2.gz YULZFJXWTSMFHI-KRWDZBQOSA-N 1 1 300.450 4.018 10 0 DIAEMO COCc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000127660438 522971643 /nfs/dbraw/zinc/97/16/43/522971643.db2.gz YBQSLUBMZWOWLN-INIZCTEOSA-N 1 1 302.443 4.017 10 0 DIAEMO COCc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000127660438 522971651 /nfs/dbraw/zinc/97/16/51/522971651.db2.gz YBQSLUBMZWOWLN-INIZCTEOSA-N 1 1 302.443 4.017 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1nc2ccccc2o1 ZINC000182423014 525611872 /nfs/dbraw/zinc/61/18/72/525611872.db2.gz JGYSKDZGMRYPER-QWHCGFSZSA-N 1 1 324.380 4.011 10 0 DIAEMO Cc1cnc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)s1 ZINC000180511474 526020225 /nfs/dbraw/zinc/02/02/25/526020225.db2.gz VBZCVIHJEZKCCO-ZDUSSCGKSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1cc(F)ccc1F ZINC000106206063 527663076 /nfs/dbraw/zinc/66/30/76/527663076.db2.gz NDXMUTMHPNQTDP-YVEFUNNKSA-N 1 1 319.399 4.213 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1cc(F)ccc1F ZINC000106206063 527663080 /nfs/dbraw/zinc/66/30/80/527663080.db2.gz NDXMUTMHPNQTDP-YVEFUNNKSA-N 1 1 319.399 4.213 10 0 DIAEMO FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157021074 527695708 /nfs/dbraw/zinc/69/57/08/527695708.db2.gz XNMHOCZTCLHHPN-CYBMUJFWSA-N 1 1 324.396 4.124 10 0 DIAEMO CC[C@H](C)[N@@H+](Cc1cccnc1)Cc1ccc2cccc(O)c2n1 ZINC000055042606 563470552 /nfs/dbraw/zinc/47/05/52/563470552.db2.gz BFPUGIGKJBJORF-HNNXBMFYSA-N 1 1 321.424 4.136 10 0 DIAEMO CC[C@H](C)[N@@H+](Cc1cc2ccccc2n(C)c1=O)C1CCCC1 ZINC000055211481 563472637 /nfs/dbraw/zinc/47/26/37/563472637.db2.gz XJFZVEMKTCHMSY-HNNXBMFYSA-N 1 1 312.457 4.082 10 0 DIAEMO CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1ccnc2ccccc12 ZINC000055413163 563475381 /nfs/dbraw/zinc/47/53/81/563475381.db2.gz QQNZGOFOUMPMAW-INIZCTEOSA-N 1 1 305.425 4.431 10 0 DIAEMO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1c(Cl)cccc1Cl ZINC000451175979 1045640207 /nfs/dbraw/zinc/64/02/07/1045640207.db2.gz NMSWIWBZOPVCQX-HNNXBMFYSA-N 1 1 308.208 4.476 10 0 DIAEMO CCCCc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1 ZINC000090223206 185287143 /nfs/dbraw/zinc/28/71/43/185287143.db2.gz WHJYXRNWQGAXOS-KBXCAEBGSA-N 1 1 312.461 4.115 10 0 DIAEMO CCCCC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000090227147 185287826 /nfs/dbraw/zinc/28/78/26/185287826.db2.gz JGALEVWULAHMNT-ROUUACIJSA-N 1 1 312.461 4.333 10 0 DIAEMO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)c2ccccc12 ZINC000090530844 185300942 /nfs/dbraw/zinc/30/09/42/185300942.db2.gz UDKUHAJWDBRPAX-HIFRSBDPSA-N 1 1 323.440 4.162 10 0 DIAEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccccc1N)C2 ZINC000103270198 185443150 /nfs/dbraw/zinc/44/31/50/185443150.db2.gz KZFDKINRISJFCO-OOSNJVJTSA-N 1 1 322.452 4.000 10 0 DIAEMO CCOc1ccc2[nH+]ccc(Nc3ccc(C(=O)OC)cc3)c2c1 ZINC000072237222 191080099 /nfs/dbraw/zinc/08/00/99/191080099.db2.gz RNQCDTZERZWIGA-UHFFFAOYSA-N 1 1 322.364 4.164 10 0 DIAEMO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc21)c1nccs1 ZINC000080267792 192019532 /nfs/dbraw/zinc/01/95/32/192019532.db2.gz PUEFKDQLPCWYFP-RNCFNFMXSA-N 1 1 323.259 4.244 10 0 DIAEMO [NH3+][C@@H](c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000019482523 182124832 /nfs/dbraw/zinc/12/48/32/182124832.db2.gz GHCQYFCKFJNSFZ-OAHLLOKOSA-N 1 1 302.171 4.243 10 0 DIAEMO Brc1cscc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000285623428 335024126 /nfs/dbraw/zinc/02/41/26/335024126.db2.gz ZPRIPWAQXCAOCY-ZDUSSCGKSA-N 1 1 324.243 4.124 10 0 DIAEMO Cc1nc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)cs1 ZINC000041010442 183155851 /nfs/dbraw/zinc/15/58/51/183155851.db2.gz JSMBYNJQSPVUJQ-CYBMUJFWSA-N 1 1 304.459 4.337 10 0 DIAEMO CCOC(=O)c1ccc(Nc2cc[nH+]c3ccc(OC)cc23)cc1 ZINC000041055403 183160323 /nfs/dbraw/zinc/16/03/23/183160323.db2.gz BYOJNDZRKUCOIM-UHFFFAOYSA-N 1 1 322.364 4.164 10 0 DIAEMO CC[NH+](CC)Cc1nc2sc3c(c2c(Cl)n1)CCCC3 ZINC000041581518 183206304 /nfs/dbraw/zinc/20/63/04/183206304.db2.gz PLQGDUSJQHITMK-UHFFFAOYSA-N 1 1 309.866 4.065 10 0 DIAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(N)cc1Br ZINC000042601781 183290661 /nfs/dbraw/zinc/29/06/61/183290661.db2.gz JLENHDSEGMFATD-XHDPSFHLSA-N 1 1 311.267 4.042 10 0 DIAEMO C[C@H]([N@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000042741660 183303362 /nfs/dbraw/zinc/30/33/62/183303362.db2.gz MAKXUTAAZXRELC-HZMBPMFUSA-N 1 1 303.277 4.360 10 0 DIAEMO C[C@H]([N@@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000042741660 183303365 /nfs/dbraw/zinc/30/33/65/183303365.db2.gz MAKXUTAAZXRELC-HZMBPMFUSA-N 1 1 303.277 4.360 10 0 DIAEMO C[C@H]([N@H+](C)[C@@H](CN)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000042742312 183304634 /nfs/dbraw/zinc/30/46/34/183304634.db2.gz MUBSGNLRZARTTB-HZMBPMFUSA-N 1 1 303.277 4.360 10 0 DIAEMO C[C@H]([N@@H+](C)[C@@H](CN)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000042742312 183304637 /nfs/dbraw/zinc/30/46/37/183304637.db2.gz MUBSGNLRZARTTB-HZMBPMFUSA-N 1 1 303.277 4.360 10 0 DIAEMO CCc1oc2ccccc2c1[C@H]([NH3+])c1ccc(Br)o1 ZINC000061876811 184191565 /nfs/dbraw/zinc/19/15/65/184191565.db2.gz OPCNIVJTPWFOOB-OAHLLOKOSA-N 1 1 320.186 4.399 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCc1cccc(C)c1 ZINC000181101472 332175444 /nfs/dbraw/zinc/17/54/44/332175444.db2.gz CEZWRRXNMXTHBN-IBGZPJMESA-N 1 1 311.473 4.115 10 0 DIAEMO C[C@H](Nc1cc[nH+]c2ccsc21)c1cn(-c2ccccc2)nn1 ZINC000301623828 336319051 /nfs/dbraw/zinc/31/90/51/336319051.db2.gz ACMVZSKVWZZWIB-LBPRGKRZSA-N 1 1 321.409 4.050 10 0 DIAEMO C[C@@H](Nc1nc(N(C)C)cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000301741325 336326945 /nfs/dbraw/zinc/32/69/45/336326945.db2.gz UTPUXVGKFMNBQI-SECBINFHSA-N 1 1 311.216 4.023 10 0 DIAEMO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCS[C@@H](C)C1 ZINC000152452673 336386665 /nfs/dbraw/zinc/38/66/65/336386665.db2.gz SMKPMXRSAMYTGS-RYUDHWBXSA-N 1 1 322.861 4.493 10 0 DIAEMO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCS[C@@H](C)C1 ZINC000152452673 336386666 /nfs/dbraw/zinc/38/66/66/336386666.db2.gz SMKPMXRSAMYTGS-RYUDHWBXSA-N 1 1 322.861 4.493 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1coc2ccccc12 ZINC000122747051 337023242 /nfs/dbraw/zinc/02/32/42/337023242.db2.gz PSZYGYYECOSSDT-KRWDZBQOSA-N 1 1 309.413 4.120 10 0 DIAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000122860111 337027197 /nfs/dbraw/zinc/02/71/97/337027197.db2.gz AKAONTIBSDASSR-MRXNPFEDSA-N 1 1 309.413 4.029 10 0 DIAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000171521506 337087806 /nfs/dbraw/zinc/08/78/06/337087806.db2.gz XMJIWGYUSSDGFS-ZFWWWQNUSA-N 1 1 319.399 4.122 10 0 DIAEMO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(Cl)cc1 ZINC000173632265 337136923 /nfs/dbraw/zinc/13/69/23/337136923.db2.gz FTZSRXGGVHSTEO-SWLSCSKDSA-N 1 1 318.852 4.070 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000177713196 337158741 /nfs/dbraw/zinc/15/87/41/337158741.db2.gz VUVMFZFZGHMSNP-MSOLQXFVSA-N 1 1 313.420 4.000 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000181101552 337179886 /nfs/dbraw/zinc/17/98/86/337179886.db2.gz NKVSBLZGTQQZOQ-HOCLYGCPSA-N 1 1 324.428 4.076 10 0 DIAEMO Cc1cccc(-c2noc(C[NH2+][C@@H](C)c3ccccc3C)n2)c1 ZINC000181562272 337183004 /nfs/dbraw/zinc/18/30/04/337183004.db2.gz NAFLPAYUHSSINQ-HNNXBMFYSA-N 1 1 307.397 4.204 10 0 DIAEMO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000182541162 337188902 /nfs/dbraw/zinc/18/89/02/337188902.db2.gz PCJOHGLVHMKHAS-QUCCMNQESA-N 1 1 304.393 4.431 10 0 DIAEMO FC(F)c1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000183932975 337195618 /nfs/dbraw/zinc/19/56/18/337195618.db2.gz XPRZNIZQRCKPHF-CQSZACIVSA-N 1 1 308.397 4.460 10 0 DIAEMO FC(F)(F)C1CCC(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000185514029 337248771 /nfs/dbraw/zinc/24/87/71/337248771.db2.gz YUIAWSNYALLPPY-PESDSKBTSA-N 1 1 315.383 4.305 10 0 DIAEMO Cc1cc(C)c(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c(C)c1 ZINC000185874053 337252217 /nfs/dbraw/zinc/25/22/17/337252217.db2.gz HIRQYPJOSFSYDW-UHFFFAOYSA-N 1 1 317.436 4.359 10 0 DIAEMO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186053857 337253211 /nfs/dbraw/zinc/25/32/11/337253211.db2.gz GKSGQEQJAKPZPI-BTYIYWSLSA-N 1 1 315.420 4.167 10 0 DIAEMO COc1ccc2nc(C[N@@H+]3CCC[C@H]3c3ccco3)sc2c1 ZINC000187047782 337261394 /nfs/dbraw/zinc/26/13/94/337261394.db2.gz VREPCZJFKOKALM-AWEZNQCLSA-N 1 1 314.410 4.235 10 0 DIAEMO COc1ccc2nc(C[N@H+]3CCC[C@H]3c3ccco3)sc2c1 ZINC000187047782 337261395 /nfs/dbraw/zinc/26/13/95/337261395.db2.gz VREPCZJFKOKALM-AWEZNQCLSA-N 1 1 314.410 4.235 10 0 DIAEMO CC[C@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1cccs1 ZINC000189184912 337277271 /nfs/dbraw/zinc/27/72/71/337277271.db2.gz VWSXDPAJFSGAGR-ZDUSSCGKSA-N 1 1 317.389 4.178 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3ccc(F)nc3)C2)n1 ZINC000189387187 337279026 /nfs/dbraw/zinc/27/90/26/337279026.db2.gz FRPMHZOEGDMESC-CQSZACIVSA-N 1 1 319.449 4.180 10 0 DIAEMO O[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000584627439 337376157 /nfs/dbraw/zinc/37/61/57/337376157.db2.gz PRQIBUMQPFFOON-VQTJNVASSA-N 1 1 313.416 4.304 10 0 DIAEMO Cn1cc([C@@H]2CCC[N@H+]2C2c3ccccc3-c3ccccc32)cn1 ZINC000173318214 340362204 /nfs/dbraw/zinc/36/22/04/340362204.db2.gz AGYRTKMHOYDKAX-FQEVSTJZSA-N 1 1 315.420 4.327 10 0 DIAEMO CC(C)[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccccc1Cl ZINC000186552774 340514244 /nfs/dbraw/zinc/51/42/44/340514244.db2.gz ZCMOKDTZIMDTIB-WBVHZDCISA-N 1 1 307.821 4.343 10 0 DIAEMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(C(C)(C)C)s2)cn1 ZINC000131914045 341113519 /nfs/dbraw/zinc/11/35/19/341113519.db2.gz TYYYPWYFBIIIPT-OAHLLOKOSA-N 1 1 303.475 4.116 10 0 DIAEMO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccccc2)C1 ZINC000246597290 341354186 /nfs/dbraw/zinc/35/41/86/341354186.db2.gz GZRKSDWLUPJLIV-SJORKVTESA-N 1 1 321.342 4.013 10 0 DIAEMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247060352 341360565 /nfs/dbraw/zinc/36/05/65/341360565.db2.gz PBPVCZOADKIMFE-WBVHZDCISA-N 1 1 312.413 4.061 10 0 DIAEMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247060352 341360566 /nfs/dbraw/zinc/36/05/66/341360566.db2.gz PBPVCZOADKIMFE-WBVHZDCISA-N 1 1 312.413 4.061 10 0 DIAEMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247542260 341367116 /nfs/dbraw/zinc/36/71/16/341367116.db2.gz QYLOUTLQXMNFHF-PBHICJAKSA-N 1 1 312.413 4.006 10 0 DIAEMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247542260 341367117 /nfs/dbraw/zinc/36/71/17/341367117.db2.gz QYLOUTLQXMNFHF-PBHICJAKSA-N 1 1 312.413 4.006 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000248883086 341389184 /nfs/dbraw/zinc/38/91/84/341389184.db2.gz LGADFIYPTQLOFO-HNAYVOBHSA-N 1 1 311.473 4.368 10 0 DIAEMO CC(C)c1csc([C@H]2CCC[N@@H+](CCc3ccncc3)C2)n1 ZINC000127760371 519857237 /nfs/dbraw/zinc/85/72/37/519857237.db2.gz IQLGRUDMOKOTCE-INIZCTEOSA-N 1 1 315.486 4.084 10 0 DIAEMO CCC[N@H+]1CC[C@@H](N(CC(C)C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000242648979 519862276 /nfs/dbraw/zinc/86/22/76/519862276.db2.gz ROELZHDDRLOOQT-HZPDHXFCSA-N 1 1 312.498 4.142 10 0 DIAEMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000162795508 523291656 /nfs/dbraw/zinc/29/16/56/523291656.db2.gz CCKXNUGNOFHVFQ-GFCCVEGCSA-N 1 1 315.367 4.185 10 0 DIAEMO Cc1cccc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)[nH+]1 ZINC000157718323 524540309 /nfs/dbraw/zinc/54/03/09/524540309.db2.gz VDZIWHBDTKVAMS-CQSZACIVSA-N 1 1 301.459 4.354 10 0 DIAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000106225708 526267857 /nfs/dbraw/zinc/26/78/57/526267857.db2.gz CKLCUFAFDGZQCO-INIZCTEOSA-N 1 1 323.362 4.047 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)cs1 ZINC000189940741 527052897 /nfs/dbraw/zinc/05/28/97/527052897.db2.gz LRUSOLPEKROMJA-KRWDZBQOSA-N 1 1 312.438 4.064 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)cs1 ZINC000189940741 527052902 /nfs/dbraw/zinc/05/29/02/527052902.db2.gz LRUSOLPEKROMJA-KRWDZBQOSA-N 1 1 312.438 4.064 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)cc1F ZINC000106206118 527660044 /nfs/dbraw/zinc/66/00/44/527660044.db2.gz ZDKBESZJNNOOBS-SJCJKPOMSA-N 1 1 319.399 4.213 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccc(F)cc1F ZINC000106206118 527660049 /nfs/dbraw/zinc/66/00/49/527660049.db2.gz ZDKBESZJNNOOBS-SJCJKPOMSA-N 1 1 319.399 4.213 10 0 DIAEMO CC(C)[C@H](C)[N@@H+](Cc1ccco1)Cc1cnc2ccccc2n1 ZINC000067722827 563489936 /nfs/dbraw/zinc/48/99/36/563489936.db2.gz MYLXCHSQVAXEHQ-HNNXBMFYSA-N 1 1 309.413 4.270 10 0 DIAEMO COc1ccc(CNc2[nH]cc(-c3ccc(Cl)cc3)[nH+]2)cc1 ZINC000095081406 563528425 /nfs/dbraw/zinc/52/84/25/563528425.db2.gz OXPPSUJNNYXPJU-UHFFFAOYSA-N 1 1 313.788 4.351 10 0 DIAEMO CCc1ccc([C@H](C)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000162483905 1042127887 /nfs/dbraw/zinc/12/78/87/1042127887.db2.gz HSBIQHPJHAFGRW-LIRRHRJNSA-N 1 1 320.440 4.116 10 0 DIAEMO CCc1ccc([C@H](C)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000162484151 1042127949 /nfs/dbraw/zinc/12/79/49/1042127949.db2.gz HSBIQHPJHAFGRW-IFXJQAMLSA-N 1 1 320.440 4.116 10 0 DIAEMO CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000119593946 1045432712 /nfs/dbraw/zinc/43/27/12/1045432712.db2.gz BLXOVBCTNDNHII-GFCCVEGCSA-N 1 1 321.515 4.277 10 0 DIAEMO CC(C)(C)c1csc(C[N@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000119593946 1045432713 /nfs/dbraw/zinc/43/27/13/1045432713.db2.gz BLXOVBCTNDNHII-GFCCVEGCSA-N 1 1 321.515 4.277 10 0 DIAEMO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)c1 ZINC000124001150 1046452819 /nfs/dbraw/zinc/45/28/19/1046452819.db2.gz UFBPHPPAZDRIIF-HUUCEWRRSA-N 1 1 322.412 4.160 10 0 DIAEMO Cc1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)c2ccccc2n1 ZINC000124285663 1046454188 /nfs/dbraw/zinc/45/41/88/1046454188.db2.gz OPJDEEQVZLKDKM-HNNXBMFYSA-N 1 1 323.465 4.379 10 0 DIAEMO FC(F)Oc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195356267 1046593119 /nfs/dbraw/zinc/59/31/19/1046593119.db2.gz BMPKHEDIAVLYLD-CYBMUJFWSA-N 1 1 324.396 4.124 10 0 DIAEMO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1nc2c(s1)CCCC2 ZINC000093369654 193240056 /nfs/dbraw/zinc/24/00/56/193240056.db2.gz APNWRKBNYHDVTB-GXTWGEPZSA-N 1 1 314.454 4.196 10 0 DIAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000093438133 193251647 /nfs/dbraw/zinc/25/16/47/193251647.db2.gz DANXLBZUFGRAAB-HXUWFJFHSA-N 1 1 318.424 4.199 10 0 DIAEMO Clc1ccc2sc([C@@H]3Cc4ccccc4C[NH2+]3)nc2c1 ZINC000019979755 182173003 /nfs/dbraw/zinc/17/30/03/182173003.db2.gz SBTPMJVPYQENDM-AWEZNQCLSA-N 1 1 300.814 4.337 10 0 DIAEMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(Cl)cc1Cl ZINC000020012546 182178052 /nfs/dbraw/zinc/17/80/52/182178052.db2.gz IIXFFDKYQHBKPF-ZDUSSCGKSA-N 1 1 315.288 4.348 10 0 DIAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccc(Br)cc1 ZINC000020389149 182213392 /nfs/dbraw/zinc/21/33/92/182213392.db2.gz LYSRNPCOUSDJOA-HNNXBMFYSA-N 1 1 302.171 4.243 10 0 DIAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccccc1Br ZINC000020592712 182235773 /nfs/dbraw/zinc/23/57/73/182235773.db2.gz QFMNHESLXBCAHH-OAHLLOKOSA-N 1 1 302.171 4.243 10 0 DIAEMO COc1ccc(C)cc1[C@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000020592869 182236049 /nfs/dbraw/zinc/23/60/49/182236049.db2.gz CSGZVJKHRFKOKK-KRWDZBQOSA-N 1 1 301.773 4.451 10 0 DIAEMO Brc1cscc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000285623424 335024043 /nfs/dbraw/zinc/02/40/43/335024043.db2.gz ZPRIPWAQXCAOCY-CYBMUJFWSA-N 1 1 324.243 4.124 10 0 DIAEMO NC[C@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCCCC1 ZINC000039795087 183022585 /nfs/dbraw/zinc/02/25/85/183022585.db2.gz RUOLVZCDVLNEST-OAQYLSRUSA-N 1 1 324.468 4.141 10 0 DIAEMO CC(C)C[N@H+]([C@@H](CN)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000042555461 183283828 /nfs/dbraw/zinc/28/38/28/183283828.db2.gz RAVRDTOJQWOWEE-HNNXBMFYSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)C[N@@H+]([C@@H](CN)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000042555461 183283829 /nfs/dbraw/zinc/28/38/29/183283829.db2.gz RAVRDTOJQWOWEE-HNNXBMFYSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)[N@@H+](CC1CC1)[C@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000042580101 183286982 /nfs/dbraw/zinc/28/69/82/183286982.db2.gz XLCKJAAFARBXDF-OAHLLOKOSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)N(CC1CC1)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042580101 183286984 /nfs/dbraw/zinc/28/69/84/183286984.db2.gz XLCKJAAFARBXDF-OAHLLOKOSA-N 1 1 301.261 4.114 10 0 DIAEMO CCCC[N@@H+](Cc1ccc(N)cc1Br)[C@H](C)CC ZINC000042600776 183290563 /nfs/dbraw/zinc/29/05/63/183290563.db2.gz OCKSAAVRRITKED-GFCCVEGCSA-N 1 1 313.283 4.432 10 0 DIAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1c(N)cccc1Br ZINC000042601487 183290611 /nfs/dbraw/zinc/29/06/11/183290611.db2.gz PUSCJWIRWSODJC-XHDPSFHLSA-N 1 1 311.267 4.042 10 0 DIAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(N)cc1Br ZINC000042601779 183290619 /nfs/dbraw/zinc/29/06/19/183290619.db2.gz JLENHDSEGMFATD-NHYWBVRUSA-N 1 1 311.267 4.042 10 0 DIAEMO C[C@@H]([N@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000042741663 183303665 /nfs/dbraw/zinc/30/36/65/183303665.db2.gz MAKXUTAAZXRELC-YGRLFVJLSA-N 1 1 303.277 4.360 10 0 DIAEMO C[C@@H]([N@@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000042741663 183303668 /nfs/dbraw/zinc/30/36/68/183303668.db2.gz MAKXUTAAZXRELC-YGRLFVJLSA-N 1 1 303.277 4.360 10 0 DIAEMO CC[N@H+](Cc1ccco1)Cc1cc(Br)cs1 ZINC000043687207 183380482 /nfs/dbraw/zinc/38/04/82/183380482.db2.gz QBKHJMLAIMSGIK-UHFFFAOYSA-N 1 1 300.221 4.126 10 0 DIAEMO CC[N@@H+](Cc1ccco1)Cc1cc(Br)cs1 ZINC000043687207 183380485 /nfs/dbraw/zinc/38/04/85/183380485.db2.gz QBKHJMLAIMSGIK-UHFFFAOYSA-N 1 1 300.221 4.126 10 0 DIAEMO CC(C)(C)[C@H]([NH3+])CCN(Cc1ccccc1)Cc1ccccc1 ZINC000058058400 184072478 /nfs/dbraw/zinc/07/24/78/184072478.db2.gz SDTKQUVPYSGNDA-HXUWFJFHSA-N 1 1 310.485 4.452 10 0 DIAEMO C[NH+](Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1 ZINC000065534838 184362341 /nfs/dbraw/zinc/36/23/41/184362341.db2.gz UZJZNLDBOLBLAC-UHFFFAOYSA-N 1 1 313.404 4.415 10 0 DIAEMO CC(C)N1CCC([NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000037409785 331568661 /nfs/dbraw/zinc/56/86/61/331568661.db2.gz LYPCSCPFADSIGY-UHFFFAOYSA-N 1 1 306.881 4.048 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCc1cccc(C)c1 ZINC000181101457 332175512 /nfs/dbraw/zinc/17/55/12/332175512.db2.gz CEZWRRXNMXTHBN-LJQANCHMSA-N 1 1 311.473 4.115 10 0 DIAEMO CC[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000180023942 333026428 /nfs/dbraw/zinc/02/64/28/333026428.db2.gz WPTVDKBZPYAGPW-RTBURBONSA-N 1 1 300.421 4.169 10 0 DIAEMO CC[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc(OC)cc1 ZINC000120429907 333282441 /nfs/dbraw/zinc/28/24/41/333282441.db2.gz SRDZJWZGNZSSJE-UXHICEINSA-N 1 1 312.457 4.039 10 0 DIAEMO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000189943940 334917053 /nfs/dbraw/zinc/91/70/53/334917053.db2.gz RNEMTSWIZDVFIT-HNNXBMFYSA-N 1 1 314.477 4.082 10 0 DIAEMO Cc1csc(CN(C)c2cc[nH+]c3ccc(Cl)cc32)n1 ZINC000301267343 336297735 /nfs/dbraw/zinc/29/77/35/336297735.db2.gz FXKSWNJTJGDQCQ-UHFFFAOYSA-N 1 1 303.818 4.290 10 0 DIAEMO COC(=O)Nc1ccc(CNc2cc[nH+]c3ccsc32)cc1 ZINC000301381933 336303708 /nfs/dbraw/zinc/30/37/08/336303708.db2.gz UWFAFEUIYHXCKM-UHFFFAOYSA-N 1 1 313.382 4.087 10 0 DIAEMO Cc1cnc(CCNc2cc[nH+]c3ccc(Cl)cc23)s1 ZINC000301404712 336304697 /nfs/dbraw/zinc/30/46/97/336304697.db2.gz FSPVIEYGLLMNHW-UHFFFAOYSA-N 1 1 303.818 4.308 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1c(C)oc2ccccc21 ZINC000122776971 337023815 /nfs/dbraw/zinc/02/38/15/337023815.db2.gz ZTMMRFPQCCJWGO-GOSISDBHSA-N 1 1 323.440 4.429 10 0 DIAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000171521501 337087687 /nfs/dbraw/zinc/08/76/87/337087687.db2.gz XMJIWGYUSSDGFS-DZGCQCFKSA-N 1 1 319.399 4.122 10 0 DIAEMO C[C@@H](c1ccccc1)[N@@H+](Cc1nnc(C2CC2)n1C)CC1CCC1 ZINC000172669865 337129444 /nfs/dbraw/zinc/12/94/44/337129444.db2.gz PXZCQGPUODJUOF-HNNXBMFYSA-N 1 1 324.472 4.056 10 0 DIAEMO C[C@@H](c1ccccc1)[N@H+](Cc1nnc(C2CC2)n1C)CC1CCC1 ZINC000172669865 337129445 /nfs/dbraw/zinc/12/94/45/337129445.db2.gz PXZCQGPUODJUOF-HNNXBMFYSA-N 1 1 324.472 4.056 10 0 DIAEMO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1 ZINC000173452794 337135338 /nfs/dbraw/zinc/13/53/38/337135338.db2.gz MCTRPMIGZNMEEC-SWLSCSKDSA-N 1 1 318.852 4.070 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1nnc2n1CCCC2 ZINC000173625493 337136958 /nfs/dbraw/zinc/13/69/58/337136958.db2.gz GDMFNUNJERRVMZ-LSDHHAIUSA-N 1 1 320.440 4.179 10 0 DIAEMO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(Cl)cc1 ZINC000173632251 337137016 /nfs/dbraw/zinc/13/70/16/337137016.db2.gz FTZSRXGGVHSTEO-WFASDCNBSA-N 1 1 318.852 4.070 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000178312472 337163760 /nfs/dbraw/zinc/16/37/60/337163760.db2.gz QQSGFXCVRJQZDU-AWEZNQCLSA-N 1 1 324.255 4.163 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1csc2ccccc12 ZINC000178330754 337164002 /nfs/dbraw/zinc/16/40/02/337164002.db2.gz PAJSBFVKUIIJJL-INIZCTEOSA-N 1 1 311.454 4.071 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000180123585 337171488 /nfs/dbraw/zinc/17/14/88/337171488.db2.gz JTNJEMHZJOJJOP-MRXNPFEDSA-N 1 1 311.454 4.071 10 0 DIAEMO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(Oc3ccccc3)o2)cn1 ZINC000180429436 337174491 /nfs/dbraw/zinc/17/44/91/337174491.db2.gz MBEIWQFXJUFAEG-GOSISDBHSA-N 1 1 323.396 4.143 10 0 DIAEMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(Oc3ccccc3)o2)cn1 ZINC000180429436 337174492 /nfs/dbraw/zinc/17/44/92/337174492.db2.gz MBEIWQFXJUFAEG-GOSISDBHSA-N 1 1 323.396 4.143 10 0 DIAEMO CC(C)c1ccc([C@@H](C)[NH2+]Cc2nnc(C3CCC3)n2C)cc1 ZINC000181437267 337184257 /nfs/dbraw/zinc/18/42/57/337184257.db2.gz LRXIGEUJAZCAHO-CQSZACIVSA-N 1 1 312.461 4.057 10 0 DIAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ncc(C(C)C)s3)C2)n1 ZINC000183032733 337191013 /nfs/dbraw/zinc/19/10/13/337191013.db2.gz JWQWDTXRQRADFJ-CYBMUJFWSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3ncc(C(C)C)s3)C2)n1 ZINC000183032733 337191014 /nfs/dbraw/zinc/19/10/14/337191014.db2.gz JWQWDTXRQRADFJ-CYBMUJFWSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000183941120 337195679 /nfs/dbraw/zinc/19/56/79/337195679.db2.gz WUTRTELBEFAGLG-INIZCTEOSA-N 1 1 319.399 4.312 10 0 DIAEMO Cc1cccc([C@H]2CCC[N@@H+]2CCC(Cl)(Cl)Cl)n1 ZINC000184623859 337199489 /nfs/dbraw/zinc/19/94/89/337199489.db2.gz FFIPYYNHVRAJGP-GFCCVEGCSA-N 1 1 307.652 4.287 10 0 DIAEMO Cc1cccc([C@H]2CCC[N@H+]2CCC(Cl)(Cl)Cl)n1 ZINC000184623859 337199490 /nfs/dbraw/zinc/19/94/90/337199490.db2.gz FFIPYYNHVRAJGP-GFCCVEGCSA-N 1 1 307.652 4.287 10 0 DIAEMO Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nccn1-c1ccccc1 ZINC000191529862 337298914 /nfs/dbraw/zinc/29/89/14/337298914.db2.gz KNMJIRRYSCKTNZ-LJQANCHMSA-N 1 1 321.399 4.179 10 0 DIAEMO C[N@H+]1CCC[C@H](CN2c3ccccc3COc3ccccc32)C1 ZINC000584602089 337371025 /nfs/dbraw/zinc/37/10/25/337371025.db2.gz OSXXSYBRQGJICL-INIZCTEOSA-N 1 1 308.425 4.059 10 0 DIAEMO O[C@H](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000584631843 337376963 /nfs/dbraw/zinc/37/69/63/337376963.db2.gz XGKXCFDLESQHRI-FXAWDEMLSA-N 1 1 313.416 4.161 10 0 DIAEMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccco3)co2)cc1 ZINC000116293746 337392542 /nfs/dbraw/zinc/39/25/42/337392542.db2.gz BXVIBPQGJWWJLT-INIZCTEOSA-N 1 1 312.344 4.411 10 0 DIAEMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccco3)co2)cc1 ZINC000116293746 337392543 /nfs/dbraw/zinc/39/25/43/337392543.db2.gz BXVIBPQGJWWJLT-INIZCTEOSA-N 1 1 312.344 4.411 10 0 DIAEMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccco3)co2)cc1 ZINC000116293748 337392552 /nfs/dbraw/zinc/39/25/52/337392552.db2.gz BXVIBPQGJWWJLT-MRXNPFEDSA-N 1 1 312.344 4.411 10 0 DIAEMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccco3)co2)cc1 ZINC000116293748 337392553 /nfs/dbraw/zinc/39/25/53/337392553.db2.gz BXVIBPQGJWWJLT-MRXNPFEDSA-N 1 1 312.344 4.411 10 0 DIAEMO C[C@H]([NH2+]CCOCC1CC1)c1c(Cl)ccc(F)c1Cl ZINC000223389119 340545450 /nfs/dbraw/zinc/54/54/50/340545450.db2.gz IIULPCDUTNWGAY-VIFPVBQESA-N 1 1 306.208 4.210 10 0 DIAEMO CC(C)(C)c1csc([C@H]2C[N@@H+](C[C@@H]3CC=CCC3)CCO2)n1 ZINC000245551975 341301497 /nfs/dbraw/zinc/30/14/97/341301497.db2.gz CFOJWDAHJYULBT-HUUCEWRRSA-N 1 1 320.502 4.170 10 0 DIAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C)c3ccccc3Cl)C2)no1 ZINC000245860985 341316384 /nfs/dbraw/zinc/31/63/84/341316384.db2.gz QYACPFLJIPBWOH-TZMCWYRMSA-N 1 1 319.836 4.047 10 0 DIAEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)c3ccccc3Cl)C2)no1 ZINC000245860983 341316399 /nfs/dbraw/zinc/31/63/99/341316399.db2.gz QYACPFLJIPBWOH-OCCSQVGLSA-N 1 1 319.836 4.047 10 0 DIAEMO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246525147 341352520 /nfs/dbraw/zinc/35/25/20/341352520.db2.gz UYQWXQMUJZKBRH-XGHQBKJUSA-N 1 1 323.484 4.128 10 0 DIAEMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246525147 341352521 /nfs/dbraw/zinc/35/25/21/341352521.db2.gz UYQWXQMUJZKBRH-XGHQBKJUSA-N 1 1 323.484 4.128 10 0 DIAEMO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247572523 341367762 /nfs/dbraw/zinc/36/77/62/341367762.db2.gz WXBQGEKGAKMCRY-NWDGAFQWSA-N 1 1 324.255 4.277 10 0 DIAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)c3ccccc3Cl)C2)c1 ZINC000247605846 341368028 /nfs/dbraw/zinc/36/80/28/341368028.db2.gz LQDGMVSVYGPOTD-HUUCEWRRSA-N 1 1 303.837 4.243 10 0 DIAEMO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2nccn2C(C)C)cc1 ZINC000181398753 519763509 /nfs/dbraw/zinc/76/35/09/519763509.db2.gz KTLVIFYRCIKGPW-MRXNPFEDSA-N 1 1 315.461 4.350 10 0 DIAEMO CCCCC[C@@H]([NH2+]Cc1nnc(C)n1CC)c1ccccc1 ZINC000181744270 520293640 /nfs/dbraw/zinc/29/36/40/520293640.db2.gz YULZFJXWTSMFHI-QGZVFWFLSA-N 1 1 300.450 4.018 10 0 DIAEMO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000183073225 520925033 /nfs/dbraw/zinc/92/50/33/520925033.db2.gz NWXOXMACLWCVEY-CYBMUJFWSA-N 1 1 301.386 4.040 10 0 DIAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3nc(C)c(C)s3)C2)n1 ZINC000176344731 522117996 /nfs/dbraw/zinc/11/79/96/522117996.db2.gz WSXIMMHHPNMOIT-ZDUSSCGKSA-N 1 1 321.515 4.158 10 0 DIAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3csc(CC)n3)C2)n1 ZINC000157038163 522118033 /nfs/dbraw/zinc/11/80/33/522118033.db2.gz WLWIQFRKJQWZIO-LBPRGKRZSA-N 1 1 321.515 4.104 10 0 DIAEMO CCc1csc([C@H]2CCC[N@H+](Cc3csc(CC)n3)C2)n1 ZINC000157038163 522118041 /nfs/dbraw/zinc/11/80/41/522118041.db2.gz WLWIQFRKJQWZIO-LBPRGKRZSA-N 1 1 321.515 4.104 10 0 DIAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000035805122 563453921 /nfs/dbraw/zinc/45/39/21/563453921.db2.gz FTQDGCRJBVJKHE-INIZCTEOSA-N 1 1 318.848 4.174 10 0 DIAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000035805122 563453924 /nfs/dbraw/zinc/45/39/24/563453924.db2.gz FTQDGCRJBVJKHE-INIZCTEOSA-N 1 1 318.848 4.174 10 0 DIAEMO CC[C@@H](N[C@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(C)cc1 ZINC000162484924 1042127603 /nfs/dbraw/zinc/12/76/03/1042127603.db2.gz SNLHXLKXBXIIAV-MOPGFXCFSA-N 1 1 320.440 4.252 10 0 DIAEMO Cc1ccc([C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)CCO2)o1 ZINC000183981841 1046202866 /nfs/dbraw/zinc/20/28/66/1046202866.db2.gz GIKAVBMFGWMLLI-MRXNPFEDSA-N 1 1 307.340 4.099 10 0 DIAEMO Cc1ccc([C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)CCO2)o1 ZINC000183981841 1046202879 /nfs/dbraw/zinc/20/28/79/1046202879.db2.gz GIKAVBMFGWMLLI-MRXNPFEDSA-N 1 1 307.340 4.099 10 0 DIAEMO Cc1cncc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248713419 1046850654 /nfs/dbraw/zinc/85/06/54/1046850654.db2.gz JYROJYYUEKRLHW-WFXMLNOXSA-N 1 1 323.484 4.094 10 0 DIAEMO Cc1cncc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248713419 1046850666 /nfs/dbraw/zinc/85/06/66/1046850666.db2.gz JYROJYYUEKRLHW-WFXMLNOXSA-N 1 1 323.484 4.094 10 0 DIAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccsc1Cl ZINC000249188077 1046860999 /nfs/dbraw/zinc/86/09/99/1046860999.db2.gz LZKJFEXRDNFZET-GXTWGEPZSA-N 1 1 321.877 4.119 10 0 DIAEMO O[C@@H](C[N@@H+]1CCCC[C@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000249853788 1046862788 /nfs/dbraw/zinc/86/27/88/1046862788.db2.gz CPGIDOWULSQMTC-GJZGRUSLSA-N 1 1 322.861 4.057 10 0 DIAEMO O[C@@H](C[N@H+]1CCCC[C@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000249853788 1046862809 /nfs/dbraw/zinc/86/28/09/1046862809.db2.gz CPGIDOWULSQMTC-GJZGRUSLSA-N 1 1 322.861 4.057 10 0 DIAEMO Cc1cccnc1C[NH2+][C@H](C)c1ccccc1Br ZINC000071339388 190959897 /nfs/dbraw/zinc/95/98/97/190959897.db2.gz STDFBZANJAOOBT-GFCCVEGCSA-N 1 1 305.219 4.003 10 0 DIAEMO C[C@@H]1CCCC[N@H+]1CCCCCCOC(=O)c1ccccc1 ZINC000005735616 181278899 /nfs/dbraw/zinc/27/88/99/181278899.db2.gz REXBYBGSZJEITR-QGZVFWFLSA-N 1 1 303.446 4.278 10 0 DIAEMO C[C@H]1[N@@H+](CCc2ccccc2)CCC[C@@]1(C)c1cccc(O)c1 ZINC000006031896 181307008 /nfs/dbraw/zinc/30/70/08/181307008.db2.gz QJSHWACLCHUVNZ-DYESRHJHSA-N 1 1 309.453 4.377 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccccc1Br ZINC000092195723 193171942 /nfs/dbraw/zinc/17/19/42/193171942.db2.gz PBTKWTFKBZMOBD-MNOVXSKESA-N 1 1 323.209 4.395 10 0 DIAEMO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1nc2c(s1)CCCC2 ZINC000093369657 193239198 /nfs/dbraw/zinc/23/91/98/193239198.db2.gz APNWRKBNYHDVTB-OCCSQVGLSA-N 1 1 314.454 4.196 10 0 DIAEMO Cc1ncccc1C[N@H+]1CCCC[C@H]1CCc1cccs1 ZINC000019227230 182109150 /nfs/dbraw/zinc/10/91/50/182109150.db2.gz PMWFIWVTBMHTNV-KRWDZBQOSA-N 1 1 300.471 4.439 10 0 DIAEMO CN(C)C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000020549366 182230013 /nfs/dbraw/zinc/23/00/13/182230013.db2.gz HUKUDZPUOWXGCB-KRWDZBQOSA-N 1 1 323.267 4.386 10 0 DIAEMO CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccccc1OC ZINC000020929050 182254502 /nfs/dbraw/zinc/25/45/02/182254502.db2.gz PSCIJPNCTNWQSI-UHFFFAOYSA-N 1 1 319.832 4.427 10 0 DIAEMO C[C@H]1C[N@@H+](CCCc2ccco2)CC[C@]1(C)c1cccc(O)c1 ZINC000100348830 193798275 /nfs/dbraw/zinc/79/82/75/193798275.db2.gz MDNFUQZTHRJSGF-JXFKEZNVSA-N 1 1 313.441 4.218 10 0 DIAEMO CC(C)C[N@H+]([C@H](CN)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000042555464 183284121 /nfs/dbraw/zinc/28/41/21/183284121.db2.gz RAVRDTOJQWOWEE-OAHLLOKOSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)C[N@@H+]([C@H](CN)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000042555464 183284123 /nfs/dbraw/zinc/28/41/23/183284123.db2.gz RAVRDTOJQWOWEE-OAHLLOKOSA-N 1 1 301.261 4.114 10 0 DIAEMO CCCC[N@@H+](Cc1ccc(N)cc1Br)[C@@H](C)CC ZINC000042600774 183290699 /nfs/dbraw/zinc/29/06/99/183290699.db2.gz OCKSAAVRRITKED-LBPRGKRZSA-N 1 1 313.283 4.432 10 0 DIAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(N)cc1Br ZINC000042601778 183290711 /nfs/dbraw/zinc/29/07/11/183290711.db2.gz JLENHDSEGMFATD-ABAIWWIYSA-N 1 1 311.267 4.042 10 0 DIAEMO C[C@@H]([N@H+](C)[C@@H](CN)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000042742315 183304274 /nfs/dbraw/zinc/30/42/74/183304274.db2.gz MUBSGNLRZARTTB-YGRLFVJLSA-N 1 1 303.277 4.360 10 0 DIAEMO C[C@@H]([N@@H+](C)[C@@H](CN)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000042742315 183304278 /nfs/dbraw/zinc/30/42/78/183304278.db2.gz MUBSGNLRZARTTB-YGRLFVJLSA-N 1 1 303.277 4.360 10 0 DIAEMO CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000130530440 332025154 /nfs/dbraw/zinc/02/51/54/332025154.db2.gz UXIQUFMHFOAWNT-GZBFAFLISA-N 1 1 312.548 4.239 10 0 DIAEMO OC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@H]1c1ccsc1 ZINC000188142943 333037957 /nfs/dbraw/zinc/03/79/57/333037957.db2.gz CFQGAEXMHZWRJT-ICSRJNTNSA-N 1 1 323.461 4.109 10 0 DIAEMO CC(C)[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390672063 333313058 /nfs/dbraw/zinc/31/30/58/333313058.db2.gz OAUNNPAOTAGWOU-VOBGVNJCSA-N 1 1 300.490 4.064 10 0 DIAEMO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000192724964 336259381 /nfs/dbraw/zinc/25/93/81/336259381.db2.gz YXGMRNSQDORXQQ-ZIAGYGMSSA-N 1 1 313.445 4.200 10 0 DIAEMO Cc1ccc([C@](C)(O)CNc2cc[nH+]c3cc(Cl)ccc23)o1 ZINC000301435665 336306580 /nfs/dbraw/zinc/30/65/80/336306580.db2.gz RYXLQURDLQTGOG-QGZVFWFLSA-N 1 1 316.788 4.109 10 0 DIAEMO C[C@@H](CNc1[nH]c2ccccc2[nH+]1)c1nc2ccccc2s1 ZINC000301884765 336336225 /nfs/dbraw/zinc/33/62/25/336336225.db2.gz OCYAJTDXONVSDO-NSHDSACASA-N 1 1 308.410 4.388 10 0 DIAEMO CSc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000171520588 337087828 /nfs/dbraw/zinc/08/78/28/337087828.db2.gz VLXWUOPLTBQIIW-QGZVFWFLSA-N 1 1 315.486 4.096 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000172922962 337132413 /nfs/dbraw/zinc/13/24/13/337132413.db2.gz ROEQDHOXXRCYQS-GFCCVEGCSA-N 1 1 307.488 4.103 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000172922962 337132414 /nfs/dbraw/zinc/13/24/14/337132414.db2.gz ROEQDHOXXRCYQS-GFCCVEGCSA-N 1 1 307.488 4.103 10 0 DIAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)n1 ZINC000173603545 337136689 /nfs/dbraw/zinc/13/66/89/337136689.db2.gz ZWFYVCMMRKLNFE-ZDUSSCGKSA-N 1 1 321.877 4.134 10 0 DIAEMO CCCCCC(C)(C)C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000175384100 337145638 /nfs/dbraw/zinc/14/56/38/337145638.db2.gz ZOSXIALFKDEEHB-INIZCTEOSA-N 1 1 319.493 4.216 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000178312328 337163871 /nfs/dbraw/zinc/16/38/71/337163871.db2.gz SDHMPAVRYGOXAR-FQEVSTJZSA-N 1 1 305.425 4.009 10 0 DIAEMO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cncc(F)c1 ZINC000178612257 337165412 /nfs/dbraw/zinc/16/54/12/337165412.db2.gz CEXFBSIZKCHGKP-AUUYWEPGSA-N 1 1 307.372 4.056 10 0 DIAEMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccco2)c(-c2cccs2)n1 ZINC000180193616 337175279 /nfs/dbraw/zinc/17/52/79/337175279.db2.gz RNQBFSMTSSTTOL-CQSZACIVSA-N 1 1 313.426 4.079 10 0 DIAEMO C[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc2ccccc2c1 ZINC000181617450 337183437 /nfs/dbraw/zinc/18/34/37/337183437.db2.gz DDHCUQRDRQIBKV-CQSZACIVSA-N 1 1 320.440 4.087 10 0 DIAEMO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000182541217 337188866 /nfs/dbraw/zinc/18/88/66/337188866.db2.gz PCJOHGLVHMKHAS-AZUAARDMSA-N 1 1 304.393 4.431 10 0 DIAEMO CC(C)c1cnc(C[N@@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000183032891 337191124 /nfs/dbraw/zinc/19/11/24/337191124.db2.gz NIWNMBVNNHZADX-LBPRGKRZSA-N 1 1 307.488 4.103 10 0 DIAEMO CC(C)c1cnc(C[N@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000183032891 337191125 /nfs/dbraw/zinc/19/11/25/337191125.db2.gz NIWNMBVNNHZADX-LBPRGKRZSA-N 1 1 307.488 4.103 10 0 DIAEMO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccc(O)c1 ZINC000183795285 337193581 /nfs/dbraw/zinc/19/35/81/337193581.db2.gz CYXHUTXFMSRTOU-YWZLYKJASA-N 1 1 304.393 4.227 10 0 DIAEMO Cc1cncc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c1 ZINC000184341413 337197888 /nfs/dbraw/zinc/19/78/88/337197888.db2.gz IHBOJBJZPAVSPA-OXQOHEQNSA-N 1 1 303.409 4.225 10 0 DIAEMO c1ccc(-c2cnc(C[NH2+][C@@H]3CCCc4ccccc43)nc2)cc1 ZINC000185825214 337250553 /nfs/dbraw/zinc/25/05/53/337250553.db2.gz SBPDXKXFZOBIFS-HXUWFJFHSA-N 1 1 315.420 4.311 10 0 DIAEMO CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1cccs1 ZINC000189927487 337283847 /nfs/dbraw/zinc/28/38/47/337283847.db2.gz CRPWNPQGPFLFBL-JSGCOSHPSA-N 1 1 319.478 4.042 10 0 DIAEMO C[N@H+]1CCC[C@@H](CN2c3ccccc3COc3ccccc32)C1 ZINC000584602093 337371063 /nfs/dbraw/zinc/37/10/63/337371063.db2.gz OSXXSYBRQGJICL-MRXNPFEDSA-N 1 1 308.425 4.059 10 0 DIAEMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccco3)co2)cc1 ZINC000116293935 337392561 /nfs/dbraw/zinc/39/25/61/337392561.db2.gz HSRARKFTXIBCSJ-QGZVFWFLSA-N 1 1 324.380 4.280 10 0 DIAEMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccco3)co2)cc1 ZINC000116293935 337392562 /nfs/dbraw/zinc/39/25/62/337392562.db2.gz HSRARKFTXIBCSJ-QGZVFWFLSA-N 1 1 324.380 4.280 10 0 DIAEMO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]3c3ccco3)o2)cc1 ZINC000116297549 337392625 /nfs/dbraw/zinc/39/26/25/337392625.db2.gz MDFGYHBGFPVROV-MRXNPFEDSA-N 1 1 324.380 4.280 10 0 DIAEMO COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]3c3ccco3)o2)cc1 ZINC000116297549 337392626 /nfs/dbraw/zinc/39/26/26/337392626.db2.gz MDFGYHBGFPVROV-MRXNPFEDSA-N 1 1 324.380 4.280 10 0 DIAEMO C[C@H](CCSc1ccccc1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000153412521 338224018 /nfs/dbraw/zinc/22/40/18/338224018.db2.gz SYNFAGMCSKEBEJ-CRAIPNDOSA-N 1 1 315.486 4.128 10 0 DIAEMO Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)n1 ZINC000246197893 341332806 /nfs/dbraw/zinc/33/28/06/341332806.db2.gz XKEMFFUFKPNFGN-CVEARBPZSA-N 1 1 313.420 4.024 10 0 DIAEMO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247493025 341365697 /nfs/dbraw/zinc/36/56/97/341365697.db2.gz LCWSUZSMZIOSPX-BZNIZROVSA-N 1 1 307.800 4.111 10 0 DIAEMO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247493025 341365698 /nfs/dbraw/zinc/36/56/98/341365698.db2.gz LCWSUZSMZIOSPX-BZNIZROVSA-N 1 1 307.800 4.111 10 0 DIAEMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247567513 341367664 /nfs/dbraw/zinc/36/76/64/341367664.db2.gz VZPNJLKPOLPMEQ-DGCLKSJQSA-N 1 1 324.255 4.277 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H]1CCCc2ccccc21 ZINC000247577313 341367737 /nfs/dbraw/zinc/36/77/37/341367737.db2.gz HXWAMVQUCHAOHY-RBUKOAKNSA-N 1 1 309.457 4.251 10 0 DIAEMO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247582153 341367779 /nfs/dbraw/zinc/36/77/79/341367779.db2.gz YTPQZYRDOKRCKS-DNVCBOLYSA-N 1 1 305.425 4.124 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H]1CCCc2ccccc21 ZINC000247577305 341367816 /nfs/dbraw/zinc/36/78/16/341367816.db2.gz HXWAMVQUCHAOHY-OALUTQOASA-N 1 1 309.457 4.251 10 0 DIAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000247871599 341370814 /nfs/dbraw/zinc/37/08/14/341370814.db2.gz XQNDFJULLPAQSD-IEBWSBKVSA-N 1 1 311.473 4.104 10 0 DIAEMO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000183097841 519547432 /nfs/dbraw/zinc/54/74/32/519547432.db2.gz IKWMUQLCOQGCJS-OAHLLOKOSA-N 1 1 314.477 4.082 10 0 DIAEMO CC(C)c1csc([C@H]2CCC[N@@H+](CCc3ccccn3)C2)n1 ZINC000127674039 519857252 /nfs/dbraw/zinc/85/72/52/519857252.db2.gz NIQINSUNXLPDTH-HNNXBMFYSA-N 1 1 315.486 4.084 10 0 DIAEMO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000183073203 520925961 /nfs/dbraw/zinc/92/59/61/520925961.db2.gz NWXOXMACLWCVEY-ZDUSSCGKSA-N 1 1 301.386 4.040 10 0 DIAEMO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000181408327 521625906 /nfs/dbraw/zinc/62/59/06/521625906.db2.gz PKVWQUURPOHTKJ-OAHLLOKOSA-N 1 1 314.477 4.046 10 0 DIAEMO Cc1cccc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)[nH+]1 ZINC000157718168 524540173 /nfs/dbraw/zinc/54/01/73/524540173.db2.gz VDZIWHBDTKVAMS-AWEZNQCLSA-N 1 1 301.459 4.354 10 0 DIAEMO Cc1csc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1 ZINC000131002161 526343793 /nfs/dbraw/zinc/34/37/93/526343793.db2.gz BOVNGNNFIYABMC-CYBMUJFWSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000156971491 526422245 /nfs/dbraw/zinc/42/22/45/526422245.db2.gz KFLDOWGMIBCLEY-CYBMUJFWSA-N 1 1 308.397 4.109 10 0 DIAEMO Cc1nc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)cs1 ZINC000127781984 526858564 /nfs/dbraw/zinc/85/85/64/526858564.db2.gz SHNKJYPPIOWGDW-CYBMUJFWSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)cs1 ZINC000127781984 526858567 /nfs/dbraw/zinc/85/85/67/526858567.db2.gz SHNKJYPPIOWGDW-CYBMUJFWSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@@H+]2CCC(=O)c2ccc(C)cc2)cs1 ZINC000189799435 527052534 /nfs/dbraw/zinc/05/25/34/527052534.db2.gz AYHUBIHTZZEVCT-KRWDZBQOSA-N 1 1 314.454 4.170 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@H+]2CCC(=O)c2ccc(C)cc2)cs1 ZINC000189799435 527052543 /nfs/dbraw/zinc/05/25/43/527052543.db2.gz AYHUBIHTZZEVCT-KRWDZBQOSA-N 1 1 314.454 4.170 10 0 DIAEMO Cc1ncc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)s1 ZINC000127696540 527255544 /nfs/dbraw/zinc/25/55/44/527255544.db2.gz RYMYPSJOJIIDDL-ZDUSSCGKSA-N 1 1 321.515 4.411 10 0 DIAEMO CCOc1c(Cl)cc(C[NH2+]Cc2ccco2)cc1Cl ZINC000010475375 563357368 /nfs/dbraw/zinc/35/73/68/563357368.db2.gz OGUOHZPYLWXOJK-UHFFFAOYSA-N 1 1 300.185 4.275 10 0 DIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000035805119 563454105 /nfs/dbraw/zinc/45/41/05/563454105.db2.gz FTQDGCRJBVJKHE-MRXNPFEDSA-N 1 1 318.848 4.174 10 0 DIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000035805119 563454107 /nfs/dbraw/zinc/45/41/07/563454107.db2.gz FTQDGCRJBVJKHE-MRXNPFEDSA-N 1 1 318.848 4.174 10 0 DIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000035805108 563454220 /nfs/dbraw/zinc/45/42/20/563454220.db2.gz PSFGCXLDPPHWDB-MRXNPFEDSA-N 1 1 318.848 4.174 10 0 DIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000035805108 563454222 /nfs/dbraw/zinc/45/42/22/563454222.db2.gz PSFGCXLDPPHWDB-MRXNPFEDSA-N 1 1 318.848 4.174 10 0 DIAEMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2ccc3ccccc3n2)c1 ZINC000063835451 563485162 /nfs/dbraw/zinc/48/51/62/563485162.db2.gz CSJOOBRIEYIUTO-MRXNPFEDSA-N 1 1 305.425 4.001 10 0 DIAEMO CC(C)[C@@H](C)[N@@H+](Cc1ccco1)Cc1cnc2ccccc2n1 ZINC000067722824 563489722 /nfs/dbraw/zinc/48/97/22/563489722.db2.gz MYLXCHSQVAXEHQ-OAHLLOKOSA-N 1 1 309.413 4.270 10 0 DIAEMO COc1cc(C[NH2+]C2(c3nc(C)cs3)CCC2)ccc1Cl ZINC000450727712 1045554686 /nfs/dbraw/zinc/55/46/86/1045554686.db2.gz IVTOTPOCDOIFBS-UHFFFAOYSA-N 1 1 322.861 4.283 10 0 DIAEMO O[C@H](C[N@@H+]1CCCC[C@@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000195360768 1046592676 /nfs/dbraw/zinc/59/26/76/1046592676.db2.gz CPGIDOWULSQMTC-HUUCEWRRSA-N 1 1 322.861 4.057 10 0 DIAEMO O[C@H](C[N@H+]1CCCC[C@@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000195360768 1046592690 /nfs/dbraw/zinc/59/26/90/1046592690.db2.gz CPGIDOWULSQMTC-HUUCEWRRSA-N 1 1 322.861 4.057 10 0 DIAEMO FC(F)Oc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195356261 1046592932 /nfs/dbraw/zinc/59/29/32/1046592932.db2.gz BMPKHEDIAVLYLD-ZDUSSCGKSA-N 1 1 324.396 4.124 10 0 DIAEMO CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245435600 1046604948 /nfs/dbraw/zinc/60/49/48/1046604948.db2.gz QNQBVYMCNWKKCK-IERDGZPVSA-N 1 1 322.452 4.189 10 0 DIAEMO CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245435600 1046604952 /nfs/dbraw/zinc/60/49/52/1046604952.db2.gz QNQBVYMCNWKKCK-IERDGZPVSA-N 1 1 322.452 4.189 10 0 DIAEMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000268773983 1053769656 /nfs/dbraw/zinc/76/96/56/1053769656.db2.gz MUSNMWADQZDBRX-AVGNSLFASA-N 1 1 313.272 4.271 10 0 DIAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000090227010 185287738 /nfs/dbraw/zinc/28/77/38/185287738.db2.gz XFPWNAHULBVTID-CXAGYDPISA-N 1 1 312.461 4.070 10 0 DIAEMO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 ZINC000073656252 191337549 /nfs/dbraw/zinc/33/75/49/191337549.db2.gz RKRGHPXOABNRCL-HZPDHXFCSA-N 1 1 312.498 4.142 10 0 DIAEMO CCC[N@H+]1CC[C@@H](N(CC(C)C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073655959 191337602 /nfs/dbraw/zinc/33/76/02/191337602.db2.gz ROELZHDDRLOOQT-JKSUJKDBSA-N 1 1 312.498 4.142 10 0 DIAEMO C[C@H]1[N@@H+](CCc2ccccc2)CCC[C@]1(C)c1cccc(O)c1 ZINC000006031769 181307196 /nfs/dbraw/zinc/30/71/96/181307196.db2.gz QJSHWACLCHUVNZ-UTKZUKDTSA-N 1 1 309.453 4.377 10 0 DIAEMO Cc1ccc(-c2cc(NCC[NH+](C)C)c3ccccc3n2)cc1 ZINC000006522786 181348751 /nfs/dbraw/zinc/34/87/51/181348751.db2.gz DEUWWPYHIOKTRQ-UHFFFAOYSA-N 1 1 305.425 4.184 10 0 DIAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccc(Br)cc1 ZINC000020389156 182213746 /nfs/dbraw/zinc/21/37/46/182213746.db2.gz LYSRNPCOUSDJOA-OAHLLOKOSA-N 1 1 302.171 4.243 10 0 DIAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccccc1Br ZINC000020592713 182235769 /nfs/dbraw/zinc/23/57/69/182235769.db2.gz QFMNHESLXBCAHH-HNNXBMFYSA-N 1 1 302.171 4.243 10 0 DIAEMO Cc1cc(Nc2ncccn2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570995 183103887 /nfs/dbraw/zinc/10/38/87/183103887.db2.gz NEEOPSLBNXPQLA-UHFFFAOYSA-N 1 1 304.275 4.096 10 0 DIAEMO Cc1nc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)cs1 ZINC000041010441 183155904 /nfs/dbraw/zinc/15/59/04/183155904.db2.gz JSMBYNJQSPVUJQ-ZDUSSCGKSA-N 1 1 304.459 4.337 10 0 DIAEMO COc1ccc(OC)c(Nc2cc[nH+]c3ccc(OC)cc23)c1 ZINC000041055433 183160047 /nfs/dbraw/zinc/16/00/47/183160047.db2.gz MILRCCZXOAROBM-UHFFFAOYSA-N 1 1 310.353 4.004 10 0 DIAEMO COc1ccc(Nc2cc[nH+]c3ccc(OC)cc23)c(OC)c1 ZINC000041055445 183160234 /nfs/dbraw/zinc/16/02/34/183160234.db2.gz JVLNMVRIMGFSET-UHFFFAOYSA-N 1 1 310.353 4.004 10 0 DIAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)c1cccc(Br)c1 ZINC000042609052 183290304 /nfs/dbraw/zinc/29/03/04/183290304.db2.gz WSXPIFHYMROKLB-WFASDCNBSA-N 1 1 324.262 4.142 10 0 DIAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1c(N)cccc1Br ZINC000042601481 183290342 /nfs/dbraw/zinc/29/03/42/183290342.db2.gz PUSCJWIRWSODJC-NHYWBVRUSA-N 1 1 311.267 4.042 10 0 DIAEMO CCCC[N@@H+]1[C@@H](C(=O)N(C)c2ccccc2C)CCC[C@@H]1C ZINC000056958786 184022533 /nfs/dbraw/zinc/02/25/33/184022533.db2.gz AMUZIOYYLICJKU-FUHWJXTLSA-N 1 1 302.462 4.001 10 0 DIAEMO CC(C)(C)[C@@H]([NH3+])CCN(Cc1ccccc1)Cc1ccccc1 ZINC000058058403 184071931 /nfs/dbraw/zinc/07/19/31/184071931.db2.gz SDTKQUVPYSGNDA-FQEVSTJZSA-N 1 1 310.485 4.452 10 0 DIAEMO C[NH+](C)C[C@@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000120427665 132142173 /nfs/dbraw/zinc/14/21/73/132142173.db2.gz BJHBJVTZBORZAN-QZTJIDSGSA-N 1 1 312.482 4.116 10 0 DIAEMO CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000130530255 332025130 /nfs/dbraw/zinc/02/51/30/332025130.db2.gz UXIQUFMHFOAWNT-GUTXKFCHSA-N 1 1 312.548 4.239 10 0 DIAEMO CCC[N@H+](Cc1cccc(N)c1)Cc1c(F)cccc1Cl ZINC000049345470 334326036 /nfs/dbraw/zinc/32/60/36/334326036.db2.gz VTEWHEJHJYRMJO-UHFFFAOYSA-N 1 1 306.812 4.474 10 0 DIAEMO CCC[N@@H+](Cc1cccc(N)c1)Cc1c(F)cccc1Cl ZINC000049345470 334326037 /nfs/dbraw/zinc/32/60/37/334326037.db2.gz VTEWHEJHJYRMJO-UHFFFAOYSA-N 1 1 306.812 4.474 10 0 DIAEMO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000329609911 336005231 /nfs/dbraw/zinc/00/52/31/336005231.db2.gz JCZMQHRLYOULSP-XKQJLSEDSA-N 1 1 311.429 4.324 10 0 DIAEMO C[C@H](Nc1nc(N(C)C)cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000301741326 336326898 /nfs/dbraw/zinc/32/68/98/336326898.db2.gz UTPUXVGKFMNBQI-VIFPVBQESA-N 1 1 311.216 4.023 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000122793968 337024105 /nfs/dbraw/zinc/02/41/05/337024105.db2.gz BHNDBKPMMJYJPL-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000122793968 337024106 /nfs/dbraw/zinc/02/41/06/337024106.db2.gz BHNDBKPMMJYJPL-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000122818874 337026666 /nfs/dbraw/zinc/02/66/66/337026666.db2.gz ANZCKUVWIAJHKW-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000122818874 337026667 /nfs/dbraw/zinc/02/66/67/337026667.db2.gz ANZCKUVWIAJHKW-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000193915621 337080504 /nfs/dbraw/zinc/08/05/04/337080504.db2.gz LGADFIYPTQLOFO-DNVCBOLYSA-N 1 1 311.473 4.368 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000171520785 337087776 /nfs/dbraw/zinc/08/77/76/337087776.db2.gz NLCFZVLXNKRXAK-CYBMUJFWSA-N 1 1 309.866 4.089 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000171520785 337087777 /nfs/dbraw/zinc/08/77/77/337087777.db2.gz NLCFZVLXNKRXAK-CYBMUJFWSA-N 1 1 309.866 4.089 10 0 DIAEMO C[C@H](c1ccccc1)[N@@H+](Cc1nnc(C2CC2)n1C)CC1CCC1 ZINC000172669868 337129425 /nfs/dbraw/zinc/12/94/25/337129425.db2.gz PXZCQGPUODJUOF-OAHLLOKOSA-N 1 1 324.472 4.056 10 0 DIAEMO C[C@H](c1ccccc1)[N@H+](Cc1nnc(C2CC2)n1C)CC1CCC1 ZINC000172669868 337129426 /nfs/dbraw/zinc/12/94/26/337129426.db2.gz PXZCQGPUODJUOF-OAHLLOKOSA-N 1 1 324.472 4.056 10 0 DIAEMO CC(C)c1csc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000172922968 337132443 /nfs/dbraw/zinc/13/24/43/337132443.db2.gz ROEQDHOXXRCYQS-LBPRGKRZSA-N 1 1 307.488 4.103 10 0 DIAEMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000172922968 337132444 /nfs/dbraw/zinc/13/24/44/337132444.db2.gz ROEQDHOXXRCYQS-LBPRGKRZSA-N 1 1 307.488 4.103 10 0 DIAEMO Cc1ncc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)s1 ZINC000179142404 337168028 /nfs/dbraw/zinc/16/80/28/337168028.db2.gz YAILFHJAKBPVLF-UGSOOPFHSA-N 1 1 309.438 4.287 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000183941134 337195670 /nfs/dbraw/zinc/19/56/70/337195670.db2.gz WUTRTELBEFAGLG-MRXNPFEDSA-N 1 1 319.399 4.312 10 0 DIAEMO CC[C@@H]([NH2+]Cc1nc(-c2cccc(C)c2)no1)c1cccs1 ZINC000184065287 337197021 /nfs/dbraw/zinc/19/70/21/337197021.db2.gz IZCJBWQEWKJSDQ-CQSZACIVSA-N 1 1 313.426 4.347 10 0 DIAEMO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)c(C)n1 ZINC000186935487 337260427 /nfs/dbraw/zinc/26/04/27/337260427.db2.gz INTBSVMLEUODMR-IBGZPJMESA-N 1 1 310.441 4.051 10 0 DIAEMO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OCC2(C)C)c(C)n1 ZINC000186935487 337260428 /nfs/dbraw/zinc/26/04/28/337260428.db2.gz INTBSVMLEUODMR-IBGZPJMESA-N 1 1 310.441 4.051 10 0 DIAEMO COc1ccc2nc(C[N@@H+]3CCC[C@@H]3c3ccco3)sc2c1 ZINC000187047761 337261423 /nfs/dbraw/zinc/26/14/23/337261423.db2.gz VREPCZJFKOKALM-CQSZACIVSA-N 1 1 314.410 4.235 10 0 DIAEMO COc1ccc2nc(C[N@H+]3CCC[C@@H]3c3ccco3)sc2c1 ZINC000187047761 337261424 /nfs/dbraw/zinc/26/14/24/337261424.db2.gz VREPCZJFKOKALM-CQSZACIVSA-N 1 1 314.410 4.235 10 0 DIAEMO Cc1ccccc1[C@H](C)[NH2+]Cc1nc(-c2ccccc2F)no1 ZINC000189151887 337277182 /nfs/dbraw/zinc/27/71/82/337277182.db2.gz KDNDZLGTJNTPNR-ZDUSSCGKSA-N 1 1 311.360 4.035 10 0 DIAEMO Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]3c3ccco3)o2)cc1 ZINC000116290664 337392557 /nfs/dbraw/zinc/39/25/57/337392557.db2.gz DSIXELNGNXMGAM-OAHLLOKOSA-N 1 1 312.344 4.411 10 0 DIAEMO Fc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]3c3ccco3)o2)cc1 ZINC000116290664 337392558 /nfs/dbraw/zinc/39/25/58/337392558.db2.gz DSIXELNGNXMGAM-OAHLLOKOSA-N 1 1 312.344 4.411 10 0 DIAEMO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(Cl)s1 ZINC000131116080 337436298 /nfs/dbraw/zinc/43/62/98/337436298.db2.gz WDUYPCRNJSBAGQ-WDEREUQCSA-N 1 1 324.881 4.131 10 0 DIAEMO Cc1ccccc1[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccccc1 ZINC000186528756 340513986 /nfs/dbraw/zinc/51/39/86/340513986.db2.gz WCZMDTZTLSLYMD-TZIWHRDSSA-N 1 1 321.420 4.391 10 0 DIAEMO C[C@@H]([NH2+]CCOCC1CC1)c1c(Cl)ccc(F)c1Cl ZINC000223389064 340545474 /nfs/dbraw/zinc/54/54/74/340545474.db2.gz IIULPCDUTNWGAY-SECBINFHSA-N 1 1 306.208 4.210 10 0 DIAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)c1 ZINC000132680569 341140454 /nfs/dbraw/zinc/14/04/54/341140454.db2.gz NSIVCUOMXCEOLP-IEBWSBKVSA-N 1 1 313.420 4.045 10 0 DIAEMO CC1(C)C[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)c2ccccc2O1 ZINC000136349614 341257268 /nfs/dbraw/zinc/25/72/68/341257268.db2.gz VZRBBCODTTWVKX-MRXNPFEDSA-N 1 1 321.342 4.496 10 0 DIAEMO CCC[C@H](C[N@H+]1CCO[C@@H](c2nccs2)C1)c1ccccc1 ZINC000245844168 341315852 /nfs/dbraw/zinc/31/58/52/341315852.db2.gz KQLFIAJKPMEPDD-IAGOWNOFSA-N 1 1 316.470 4.100 10 0 DIAEMO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246157554 341330115 /nfs/dbraw/zinc/33/01/15/341330115.db2.gz QNLLASAYYNDOHD-RDTXWAMCSA-N 1 1 324.449 4.431 10 0 DIAEMO C[C@H](c1ccc2ccccc2c1)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246157554 341330116 /nfs/dbraw/zinc/33/01/16/341330116.db2.gz QNLLASAYYNDOHD-RDTXWAMCSA-N 1 1 324.449 4.431 10 0 DIAEMO C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247705197 341369295 /nfs/dbraw/zinc/36/92/95/341369295.db2.gz YTTKVFDGLUQZIH-QRWLVFNGSA-N 1 1 305.425 4.471 10 0 DIAEMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247703242 341369355 /nfs/dbraw/zinc/36/93/55/341369355.db2.gz YIAFVBCOAIGRPB-WBMJQRKESA-N 1 1 323.362 4.337 10 0 DIAEMO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2F)c2ccccc2O1 ZINC000153044938 341522365 /nfs/dbraw/zinc/52/23/65/341522365.db2.gz XTRUKOIAPZJHKI-MRXNPFEDSA-N 1 1 303.352 4.357 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CCc3ccncc3)C2)n1 ZINC000127760189 519857117 /nfs/dbraw/zinc/85/71/17/519857117.db2.gz IQLGRUDMOKOTCE-MRXNPFEDSA-N 1 1 315.486 4.084 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000131523012 519857323 /nfs/dbraw/zinc/85/73/23/519857323.db2.gz URFQXEVKCYYGMN-OAHLLOKOSA-N 1 1 301.459 4.041 10 0 DIAEMO c1csc([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)n1 ZINC000157000177 526588364 /nfs/dbraw/zinc/58/83/64/526588364.db2.gz SAGPSNUOYPCZQL-INIZCTEOSA-N 1 1 309.438 4.071 10 0 DIAEMO Cc1nc([C@@H]2CCCN2c2cc[nH+]c3ccsc32)cs1 ZINC000189199513 527054378 /nfs/dbraw/zinc/05/43/78/527054378.db2.gz UPHMUWVIUHKWBG-ZDUSSCGKSA-N 1 1 301.440 4.403 10 0 DIAEMO Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000188238689 527455509 /nfs/dbraw/zinc/45/55/09/527455509.db2.gz SUSSNRCPXQPESY-NVXWUHKLSA-N 1 1 323.440 4.272 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1F ZINC000106207035 527660535 /nfs/dbraw/zinc/66/05/35/527660535.db2.gz XYOFFTCRAUHGJI-GUYCJALGSA-N 1 1 301.409 4.074 10 0 DIAEMO C[N@H+]1CC[C@@H]2[C@H](C1)c1cc(Cl)ccc1N2Cc1ccccc1 ZINC000536555935 563889389 /nfs/dbraw/zinc/88/93/89/563889389.db2.gz CSLZACPQIWUACW-IEBWSBKVSA-N 1 1 312.844 4.148 10 0 DIAEMO Cc1cc(-c2nnc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)o2)c(C)o1 ZINC000102689374 1041165656 /nfs/dbraw/zinc/16/56/56/1041165656.db2.gz GPDUZBDZJMDWTL-ZBFHGGJFSA-N 1 1 315.417 4.101 10 0 DIAEMO CCc1ccc([C@@H](C)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000162483767 1042127622 /nfs/dbraw/zinc/12/76/22/1042127622.db2.gz HSBIQHPJHAFGRW-KUHUBIRLSA-N 1 1 320.440 4.116 10 0 DIAEMO Cc1nc([C@@H](N[C@@H](C)c2cccc(C)c2C)c2ccccc2)n[nH]1 ZINC000162494309 1042127669 /nfs/dbraw/zinc/12/76/69/1042127669.db2.gz WKZOVHZQNXWHAW-KXBFYZLASA-N 1 1 320.440 4.170 10 0 DIAEMO CC(C)Cc1ncc(C[N@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000092789033 1047540119 /nfs/dbraw/zinc/54/01/19/1047540119.db2.gz GHACDFCTZDDBFY-ZDUSSCGKSA-N 1 1 321.515 4.178 10 0 DIAEMO CCCCC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000090227149 185287582 /nfs/dbraw/zinc/28/75/82/185287582.db2.gz JGALEVWULAHMNT-MSOLQXFVSA-N 1 1 312.461 4.333 10 0 DIAEMO CCCCC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000090227144 185287766 /nfs/dbraw/zinc/28/77/66/185287766.db2.gz JGALEVWULAHMNT-ZWKOTPCHSA-N 1 1 312.461 4.333 10 0 DIAEMO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1nc2c(s1)CCCC2 ZINC000093369656 193240064 /nfs/dbraw/zinc/24/00/64/193240064.db2.gz APNWRKBNYHDVTB-JSGCOSHPSA-N 1 1 314.454 4.196 10 0 DIAEMO NC[C@@H](c1ccc(SC(F)(F)F)cc1)[NH+]1CCCCCC1 ZINC000019231455 182109540 /nfs/dbraw/zinc/10/95/40/182109540.db2.gz CSOBBNLUIJYMDP-AWEZNQCLSA-N 1 1 318.408 4.174 10 0 DIAEMO C[NH+](C)C[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000021507875 182275584 /nfs/dbraw/zinc/27/55/84/182275584.db2.gz MTMXCEOOZHUPGI-QGZVFWFLSA-N 1 1 323.267 4.386 10 0 DIAEMO C[NH+](C)C[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000021507877 182275787 /nfs/dbraw/zinc/27/57/87/182275787.db2.gz MTMXCEOOZHUPGI-KRWDZBQOSA-N 1 1 323.267 4.386 10 0 DIAEMO CC(C)C[N@H+]([C@H](CN)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042555941 183284591 /nfs/dbraw/zinc/28/45/91/183284591.db2.gz KLBQMGUWUKJBCD-OAHLLOKOSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)C[N@@H+]([C@H](CN)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042555941 183284594 /nfs/dbraw/zinc/28/45/94/183284594.db2.gz KLBQMGUWUKJBCD-OAHLLOKOSA-N 1 1 301.261 4.114 10 0 DIAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)c1cccc(Br)c1 ZINC000042609054 183290631 /nfs/dbraw/zinc/29/06/31/183290631.db2.gz WSXPIFHYMROKLB-SWLSCSKDSA-N 1 1 324.262 4.142 10 0 DIAEMO C[C@@H]([N@H+](C)CC(=O)c1ccc(Br)s1)C(C)(C)C ZINC000042773620 183307240 /nfs/dbraw/zinc/30/72/40/183307240.db2.gz UCGARGMNZUQFRT-SECBINFHSA-N 1 1 318.280 4.060 10 0 DIAEMO C[C@@H]([N@@H+](C)CC(=O)c1ccc(Br)s1)C(C)(C)C ZINC000042773620 183307242 /nfs/dbraw/zinc/30/72/42/183307242.db2.gz UCGARGMNZUQFRT-SECBINFHSA-N 1 1 318.280 4.060 10 0 DIAEMO CC[N@@H+](Cc1ccco1)Cc1ccc(OC)c(Br)c1 ZINC000047892527 183608182 /nfs/dbraw/zinc/60/81/82/183608182.db2.gz QTWOMGOPJNHFQP-UHFFFAOYSA-N 1 1 324.218 4.073 10 0 DIAEMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000065410295 184339933 /nfs/dbraw/zinc/33/99/33/184339933.db2.gz HBTPKNDCASKCIC-GOSISDBHSA-N 1 1 307.397 4.177 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ncc(Br)s1 ZINC000179191725 333024391 /nfs/dbraw/zinc/02/43/91/333024391.db2.gz SVQORUNLIREDKK-JGVFFNPUSA-N 1 1 317.277 4.379 10 0 DIAEMO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000329609908 336005179 /nfs/dbraw/zinc/00/51/79/336005179.db2.gz JCZMQHRLYOULSP-JQFCIGGWSA-N 1 1 311.429 4.324 10 0 DIAEMO c1cc2c(nc[nH+]c2N[C@H]2CC3(CCCC3)Oc3ccccc32)[nH]1 ZINC000330158112 336119042 /nfs/dbraw/zinc/11/90/42/336119042.db2.gz PXXWGTXGKUPEDO-HNNXBMFYSA-N 1 1 320.396 4.206 10 0 DIAEMO COc1ccc([C@H](C)Nc2cc[nH+]c3ccsc32)cc1OC ZINC000301367523 336302852 /nfs/dbraw/zinc/30/28/52/336302852.db2.gz ODUOTXREHUVMEV-NSHDSACASA-N 1 1 314.410 4.487 10 0 DIAEMO COCC[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000301898615 336337045 /nfs/dbraw/zinc/33/70/45/336337045.db2.gz XBVVKYWCFOWXGS-CQSZACIVSA-N 1 1 315.804 4.406 10 0 DIAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3c(C)oc4ccccc43)C2)c1 ZINC000123040377 337034490 /nfs/dbraw/zinc/03/44/90/337034490.db2.gz WLSRNMRIQHZSLT-MRXNPFEDSA-N 1 1 309.413 4.083 10 0 DIAEMO C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1ncc(-c2ccccc2)o1 ZINC000173990389 337137557 /nfs/dbraw/zinc/13/75/57/337137557.db2.gz DMXHDVYCLBAIEV-CQSZACIVSA-N 1 1 319.408 4.460 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc2ccccc21 ZINC000178312958 337163801 /nfs/dbraw/zinc/16/38/01/337163801.db2.gz QGGFEFMJNZFOLL-IBGZPJMESA-N 1 1 305.425 4.009 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(Cl)c1 ZINC000178323825 337164020 /nfs/dbraw/zinc/16/40/20/337164020.db2.gz LIWPSDIXXSEABO-SUMWQHHRSA-N 1 1 303.837 4.071 10 0 DIAEMO CCOCc1cc(C[N@H+]2CCC[C@H]2c2ccco2)ccc1OC ZINC000179597065 337170459 /nfs/dbraw/zinc/17/04/59/337170459.db2.gz PNZONZJHUHRFCE-KRWDZBQOSA-N 1 1 315.413 4.162 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000180123566 337171411 /nfs/dbraw/zinc/17/14/11/337171411.db2.gz JTNJEMHZJOJJOP-INIZCTEOSA-N 1 1 311.454 4.071 10 0 DIAEMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccco2)c(-c2ccccc2)n1 ZINC000180193721 337175311 /nfs/dbraw/zinc/17/53/11/337175311.db2.gz ZUFLVWKTWRKXBR-KRWDZBQOSA-N 1 1 307.397 4.017 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000181101572 337179866 /nfs/dbraw/zinc/17/98/66/337179866.db2.gz NKVSBLZGTQQZOQ-GOEBONIOSA-N 1 1 324.428 4.076 10 0 DIAEMO CC(C)(C)OC(=O)CCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000181651685 337183588 /nfs/dbraw/zinc/18/35/88/337183588.db2.gz JEJPMDNHCNFAIP-AWEZNQCLSA-N 1 1 324.490 4.182 10 0 DIAEMO CC(C)c1ccc([C@H](C)[NH2+]Cc2nnc(C3CCC3)n2C)cc1 ZINC000181437282 337184226 /nfs/dbraw/zinc/18/42/26/337184226.db2.gz LRXIGEUJAZCAHO-AWEZNQCLSA-N 1 1 312.461 4.057 10 0 DIAEMO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccs1 ZINC000182546624 337188848 /nfs/dbraw/zinc/18/88/48/337188848.db2.gz QWBIYAULZZVBCJ-NSHDSACASA-N 1 1 302.374 4.393 10 0 DIAEMO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1cccs1 ZINC000184062383 337197066 /nfs/dbraw/zinc/19/70/66/337197066.db2.gz QBFLDCHDUKHCOT-CYBMUJFWSA-N 1 1 317.389 4.178 10 0 DIAEMO CC[C@H]([NH2+]Cc1nc(-c2cccc(C)c2)no1)c1cccs1 ZINC000184065269 337197093 /nfs/dbraw/zinc/19/70/93/337197093.db2.gz IZCJBWQEWKJSDQ-AWEZNQCLSA-N 1 1 313.426 4.347 10 0 DIAEMO ClC(Cl)(Cl)CC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000184494287 337199017 /nfs/dbraw/zinc/19/90/17/337199017.db2.gz FHETVUQFTKMWFF-VIFPVBQESA-N 1 1 313.681 4.083 10 0 DIAEMO CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccs1 ZINC000186047347 337253081 /nfs/dbraw/zinc/25/30/81/337253081.db2.gz FHBSUDSPNKYUPP-INIZCTEOSA-N 1 1 309.438 4.446 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(Cl)c1F ZINC000187126171 337262783 /nfs/dbraw/zinc/26/27/83/337262783.db2.gz TWMBACXRYVRRBW-GXTWGEPZSA-N 1 1 321.827 4.210 10 0 DIAEMO O=C(CC[N@H+]1CCC[C@H]1c1ccco1)Nc1ccccc1Cl ZINC000116289570 337392622 /nfs/dbraw/zinc/39/26/22/337392622.db2.gz PNMRAVUVWRQSTK-HNNXBMFYSA-N 1 1 318.804 4.099 10 0 DIAEMO C[C@H](CCSc1ccccc1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000153356211 338223197 /nfs/dbraw/zinc/22/31/97/338223197.db2.gz MZFHRQHVPZGICN-OAHLLOKOSA-N 1 1 315.486 4.160 10 0 DIAEMO CC(C)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000437077636 338299604 /nfs/dbraw/zinc/29/96/04/338299604.db2.gz OYIGDEUKIVEJFP-IHWFROFDSA-N 1 1 314.517 4.454 10 0 DIAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)c1 ZINC000245512473 341298498 /nfs/dbraw/zinc/29/84/98/341298498.db2.gz NSIVCUOMXCEOLP-MJGOQNOKSA-N 1 1 313.420 4.045 10 0 DIAEMO COc1ccc([C@H](C)C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000245608114 341305181 /nfs/dbraw/zinc/30/51/81/341305181.db2.gz ABZNEKONHPDASK-PBHICJAKSA-N 1 1 316.470 4.482 10 0 DIAEMO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccccc2)C1 ZINC000246597282 341354181 /nfs/dbraw/zinc/35/41/81/341354181.db2.gz GZRKSDWLUPJLIV-IRXDYDNUSA-N 1 1 321.342 4.013 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1ccccc1Cl ZINC000247030346 341360212 /nfs/dbraw/zinc/36/02/12/341360212.db2.gz MHQJIAFGWRNWGN-UKRRQHHQSA-N 1 1 303.837 4.071 10 0 DIAEMO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@H](C)Cc2ccccc2)no1 ZINC000248613583 341381545 /nfs/dbraw/zinc/38/15/45/341381545.db2.gz YGXWWQIJDREFOZ-WBVHZDCISA-N 1 1 313.445 4.209 10 0 DIAEMO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@H](C)Cc2ccccc2)no1 ZINC000248613583 341381546 /nfs/dbraw/zinc/38/15/46/341381546.db2.gz YGXWWQIJDREFOZ-WBVHZDCISA-N 1 1 313.445 4.209 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000248883088 341389415 /nfs/dbraw/zinc/38/94/15/341389415.db2.gz LGADFIYPTQLOFO-KXBFYZLASA-N 1 1 311.473 4.368 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](C)Cc1ccccc1 ZINC000249451654 341397766 /nfs/dbraw/zinc/39/77/66/341397766.db2.gz ONFOOPKYJAGLTL-BEFAXECRSA-N 1 1 311.473 4.053 10 0 DIAEMO CC(C)COc1ccc([C@H](C)[NH2+]Cc2nccn2C(C)C)cc1 ZINC000181398774 519763807 /nfs/dbraw/zinc/76/38/07/519763807.db2.gz KTLVIFYRCIKGPW-INIZCTEOSA-N 1 1 315.461 4.350 10 0 DIAEMO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182611228 521625464 /nfs/dbraw/zinc/62/54/64/521625464.db2.gz KOBOOKNPPKJERN-CQSZACIVSA-N 1 1 314.477 4.145 10 0 DIAEMO CCn1c(C)nnc1C[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000181940264 523154962 /nfs/dbraw/zinc/15/49/62/523154962.db2.gz FBVLOQGREFEOBC-SFHVURJKSA-N 1 1 312.461 4.018 10 0 DIAEMO Cc1cc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 ZINC000180049619 524779563 /nfs/dbraw/zinc/77/95/63/524779563.db2.gz ULLSRKFUNQGVKN-HNNXBMFYSA-N 1 1 310.319 4.243 10 0 DIAEMO Cc1ccccc1[C@H](C)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000157361285 525417758 /nfs/dbraw/zinc/41/77/58/525417758.db2.gz VLOLGMJYZPCQJN-JTQLQIEISA-N 1 1 300.349 4.321 10 0 DIAEMO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)no1 ZINC000121051472 525418498 /nfs/dbraw/zinc/41/84/98/525418498.db2.gz PRLOCZTZXOAGSU-GJZGRUSLSA-N 1 1 307.397 4.457 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000182422996 525622916 /nfs/dbraw/zinc/62/29/16/525622916.db2.gz JGYSKDZGMRYPER-OLZOCXBDSA-N 1 1 324.380 4.011 10 0 DIAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000106222794 526266312 /nfs/dbraw/zinc/26/63/12/526266312.db2.gz AFMJXSGYZHWISB-MRXNPFEDSA-N 1 1 323.362 4.047 10 0 DIAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000156974789 526422163 /nfs/dbraw/zinc/42/21/63/526422163.db2.gz ADSXSZYSRLFOKU-CYBMUJFWSA-N 1 1 308.397 4.109 10 0 DIAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3csc(C(C)C)n3)C2)n1 ZINC000156962350 526443735 /nfs/dbraw/zinc/44/37/35/526443735.db2.gz VPSCFEZWTFJOOW-ZDUSSCGKSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1csc([C@H]2CCC[N@H+](Cc3csc(C(C)C)n3)C2)n1 ZINC000156962350 526443737 /nfs/dbraw/zinc/44/37/37/526443737.db2.gz VPSCFEZWTFJOOW-ZDUSSCGKSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1cccc(-c2nc(C[NH2+][C@H](C)CCc3ccccc3)no2)c1 ZINC000034904581 563324514 /nfs/dbraw/zinc/32/45/14/563324514.db2.gz ADOFXSHBGUMOLJ-MRXNPFEDSA-N 1 1 321.424 4.156 10 0 DIAEMO Cc1cccc(-c2nc(C[NH2+][C@@H](C)CCc3ccccc3)no2)c1 ZINC000034904580 563324666 /nfs/dbraw/zinc/32/46/66/563324666.db2.gz ADOFXSHBGUMOLJ-INIZCTEOSA-N 1 1 321.424 4.156 10 0 DIAEMO COc1ccccc1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000013720644 563662638 /nfs/dbraw/zinc/66/26/38/563662638.db2.gz JSJDMRVURKEWOC-UHFFFAOYSA-N 1 1 311.356 4.384 10 0 DIAEMO Cc1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c2ccccc2n1 ZINC000124285911 1046454313 /nfs/dbraw/zinc/45/43/13/1046454313.db2.gz OPJDEEQVZLKDKM-OAHLLOKOSA-N 1 1 323.465 4.379 10 0 DIAEMO O[C@@H](C[N@@H+]1CCCC[C@@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000195360776 1046591844 /nfs/dbraw/zinc/59/18/44/1046591844.db2.gz CPGIDOWULSQMTC-CABCVRRESA-N 1 1 322.861 4.057 10 0 DIAEMO O[C@@H](C[N@H+]1CCCC[C@@H]1c1nccs1)c1ccc(Cl)cc1 ZINC000195360776 1046591854 /nfs/dbraw/zinc/59/18/54/1046591854.db2.gz CPGIDOWULSQMTC-CABCVRRESA-N 1 1 322.861 4.057 10 0 DIAEMO CCCCc1nc(Cl)c(C[NH2+][C@@H]2CCCc3occc32)[nH]1 ZINC000088398808 185248521 /nfs/dbraw/zinc/24/85/21/185248521.db2.gz CISGIJZNUWDRPG-GFCCVEGCSA-N 1 1 307.825 4.166 10 0 DIAEMO CCCCc1nc(Cl)c(C[NH2+][C@H]2CCCc3occc32)[nH]1 ZINC000088398809 185248559 /nfs/dbraw/zinc/24/85/59/185248559.db2.gz CISGIJZNUWDRPG-LBPRGKRZSA-N 1 1 307.825 4.166 10 0 DIAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000088560131 185257752 /nfs/dbraw/zinc/25/77/52/185257752.db2.gz QIRVBAMKTVHVIV-RDTXWAMCSA-N 1 1 320.440 4.179 10 0 DIAEMO COc1cc(C[NH2+][C@H](C)c2ccc(C)o2)c(SC)cc1OC ZINC000077988511 191805374 /nfs/dbraw/zinc/80/53/74/191805374.db2.gz YGHRQQCOFSPSKK-GFCCVEGCSA-N 1 1 321.442 4.178 10 0 DIAEMO Cc1cccnc1C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000093176331 193211830 /nfs/dbraw/zinc/21/18/30/193211830.db2.gz FQBKRVPOVSTQNT-OAHLLOKOSA-N 1 1 315.486 4.350 10 0 DIAEMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(Cl)cc1Cl ZINC000020012543 182177970 /nfs/dbraw/zinc/17/79/70/182177970.db2.gz IIXFFDKYQHBKPF-CYBMUJFWSA-N 1 1 315.288 4.348 10 0 DIAEMO O=C(OCCC[N@H+]1CCCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000033875332 182725162 /nfs/dbraw/zinc/72/51/62/182725162.db2.gz BCBOPENIQICMQD-HXUWFJFHSA-N 1 1 323.436 4.461 10 0 DIAEMO CCOC(=O)c1cccc(Nc2cc[nH+]c3c(C)cccc23)c1 ZINC000041055205 183159411 /nfs/dbraw/zinc/15/94/11/183159411.db2.gz QHWFKMRGFAGNHD-UHFFFAOYSA-N 1 1 306.365 4.464 10 0 DIAEMO COc1ccc2[nH+]ccc(Nc3cc(OC)cc(OC)c3)c2c1 ZINC000041055502 183159828 /nfs/dbraw/zinc/15/98/28/183159828.db2.gz IHVYCLGEHPTKRF-UHFFFAOYSA-N 1 1 310.353 4.004 10 0 DIAEMO CC(C)C[C@@H](C)[N@H+](C)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000042563438 183285102 /nfs/dbraw/zinc/28/51/02/183285102.db2.gz SXWZVVUBMUBGJW-ABAIWWIYSA-N 1 1 303.277 4.360 10 0 DIAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000042563438 183285103 /nfs/dbraw/zinc/28/51/03/183285103.db2.gz SXWZVVUBMUBGJW-ABAIWWIYSA-N 1 1 303.277 4.360 10 0 DIAEMO CC(C)[N@@H+](CC1CC1)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000042580214 183285904 /nfs/dbraw/zinc/28/59/04/183285904.db2.gz HCEGWOFJALAJRF-OAHLLOKOSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)N(CC1CC1)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042580214 183285906 /nfs/dbraw/zinc/28/59/06/183285906.db2.gz HCEGWOFJALAJRF-OAHLLOKOSA-N 1 1 301.261 4.114 10 0 DIAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)c1ccccc1Br ZINC000042609036 183290385 /nfs/dbraw/zinc/29/03/85/183290385.db2.gz WMNICZZANRAMMY-SWLSCSKDSA-N 1 1 324.262 4.142 10 0 DIAEMO Nc1nc(N)c2cc(Sc3cccc4ccccc43)ccc2[nH+]1 ZINC000059720746 184140145 /nfs/dbraw/zinc/14/01/45/184140145.db2.gz IMSIAYHMJNRIPL-UHFFFAOYSA-N 1 1 318.405 4.099 10 0 DIAEMO Cc1cccnc1C[N@H+](C)Cc1ccc([C@H]2CCCCO2)s1 ZINC000065403758 184336970 /nfs/dbraw/zinc/33/69/70/184336970.db2.gz YVZQSADNSKLISU-QGZVFWFLSA-N 1 1 316.470 4.325 10 0 DIAEMO Cc1cccnc1C[N@@H+](C)Cc1ccc([C@H]2CCCCO2)s1 ZINC000065403758 184336972 /nfs/dbraw/zinc/33/69/72/184336972.db2.gz YVZQSADNSKLISU-QGZVFWFLSA-N 1 1 316.470 4.325 10 0 DIAEMO C(CC1CCCC1)C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000119694908 195019518 /nfs/dbraw/zinc/01/95/18/195019518.db2.gz XVMKUXGUWRKAGX-QGZVFWFLSA-N 1 1 316.493 4.112 10 0 DIAEMO C[NH+](C)C[C@@H](N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000120427934 132141967 /nfs/dbraw/zinc/14/19/67/132141967.db2.gz BJHBJVTZBORZAN-ZWKOTPCHSA-N 1 1 312.482 4.116 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1cncc(F)c1 ZINC000130881481 332026574 /nfs/dbraw/zinc/02/65/74/332026574.db2.gz LQYGRNRCBCUBCQ-MNOVXSKESA-N 1 1 323.209 4.395 10 0 DIAEMO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1C ZINC000178452900 333139097 /nfs/dbraw/zinc/13/90/97/333139097.db2.gz BWABOTJNMROZPZ-CQSZACIVSA-N 1 1 314.477 4.087 10 0 DIAEMO CC[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc(OC)cc1 ZINC000120429757 333282458 /nfs/dbraw/zinc/28/24/58/333282458.db2.gz SRDZJWZGNZSSJE-PMACEKPBSA-N 1 1 312.457 4.039 10 0 DIAEMO CC[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000186835463 333379921 /nfs/dbraw/zinc/37/99/21/333379921.db2.gz DBUNEFLFUWHOFQ-MOPGFXCFSA-N 1 1 300.421 4.169 10 0 DIAEMO CCc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)cc1 ZINC000192852673 336272150 /nfs/dbraw/zinc/27/21/50/336272150.db2.gz SBUXEFUFAGFCBL-CQSZACIVSA-N 1 1 307.397 4.150 10 0 DIAEMO c1cc2[nH+]ccc(NCc3nnc(-c4ccccc4)s3)c2s1 ZINC000301672705 336322397 /nfs/dbraw/zinc/32/23/97/336322397.db2.gz ZRDJYKRUXYRWDN-UHFFFAOYSA-N 1 1 324.434 4.427 10 0 DIAEMO CCCc1cc(N2CCC(c3ccn[nH]3)CC2)c2ccccc2[nH+]1 ZINC000301765969 336328546 /nfs/dbraw/zinc/32/85/46/336328546.db2.gz BIVFGYHLKKVJII-UHFFFAOYSA-N 1 1 320.440 4.294 10 0 DIAEMO CCc1cc(N[C@@H](CCOC)c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000302101598 336348601 /nfs/dbraw/zinc/34/86/01/336348601.db2.gz QAABSERXJNOBDE-INIZCTEOSA-N 1 1 319.836 4.191 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1c(C)oc2ccccc21 ZINC000122776784 337023775 /nfs/dbraw/zinc/02/37/75/337023775.db2.gz ZTMMRFPQCCJWGO-SFHVURJKSA-N 1 1 323.440 4.429 10 0 DIAEMO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)ccc1C ZINC000193840915 337079586 /nfs/dbraw/zinc/07/95/86/337079586.db2.gz DBUSRCILPMANJN-MRXNPFEDSA-N 1 1 316.470 4.148 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000193915599 337080537 /nfs/dbraw/zinc/08/05/37/337080537.db2.gz LGADFIYPTQLOFO-BEFAXECRSA-N 1 1 311.473 4.368 10 0 DIAEMO CSc1ccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000171520584 337087719 /nfs/dbraw/zinc/08/77/19/337087719.db2.gz VLXWUOPLTBQIIW-KRWDZBQOSA-N 1 1 315.486 4.096 10 0 DIAEMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccco2)ccc1OC(F)F ZINC000172097793 337089829 /nfs/dbraw/zinc/08/98/29/337089829.db2.gz OOSFBYJTYCHWPY-CYBMUJFWSA-N 1 1 323.339 4.227 10 0 DIAEMO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)c1nnc2n1CCCC2 ZINC000173631231 337137014 /nfs/dbraw/zinc/13/70/14/337137014.db2.gz JPZMHJJOFJEMDV-HUUCEWRRSA-N 1 1 320.440 4.179 10 0 DIAEMO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(Cl)cc1 ZINC000173632281 337137039 /nfs/dbraw/zinc/13/70/39/337137039.db2.gz FTZSRXGGVHSTEO-DOMZBBRYSA-N 1 1 318.852 4.070 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000178312342 337163796 /nfs/dbraw/zinc/16/37/96/337163796.db2.gz SDHMPAVRYGOXAR-HXUWFJFHSA-N 1 1 305.425 4.009 10 0 DIAEMO Cc1ncc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)s1 ZINC000179142390 337168137 /nfs/dbraw/zinc/16/81/37/337168137.db2.gz YAILFHJAKBPVLF-ACJLOTCBSA-N 1 1 309.438 4.287 10 0 DIAEMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccco2)c(-c2ccccc2)n1 ZINC000180193701 337175231 /nfs/dbraw/zinc/17/52/31/337175231.db2.gz ZUFLVWKTWRKXBR-QGZVFWFLSA-N 1 1 307.397 4.017 10 0 DIAEMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccco2)c(-c2cccs2)n1 ZINC000180193632 337175260 /nfs/dbraw/zinc/17/52/60/337175260.db2.gz RNQBFSMTSSTTOL-AWEZNQCLSA-N 1 1 313.426 4.079 10 0 DIAEMO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1cccs1 ZINC000184062371 337197081 /nfs/dbraw/zinc/19/70/81/337197081.db2.gz QBFLDCHDUKHCOT-ZDUSSCGKSA-N 1 1 317.389 4.178 10 0 DIAEMO Cc1cncc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c1 ZINC000184341378 337197940 /nfs/dbraw/zinc/19/79/40/337197940.db2.gz IHBOJBJZPAVSPA-UZLBHIALSA-N 1 1 303.409 4.225 10 0 DIAEMO ClC(Cl)(Cl)CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000184494268 337199096 /nfs/dbraw/zinc/19/90/96/337199096.db2.gz FHETVUQFTKMWFF-SECBINFHSA-N 1 1 313.681 4.083 10 0 DIAEMO FC(F)(F)C1CCC(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000185514011 337248793 /nfs/dbraw/zinc/24/87/93/337248793.db2.gz YUIAWSNYALLPPY-ZALBZXLWSA-N 1 1 315.383 4.305 10 0 DIAEMO c1ccc(-c2cnc(C[NH2+][C@H]3CCCc4ccccc43)nc2)cc1 ZINC000185825234 337250576 /nfs/dbraw/zinc/25/05/76/337250576.db2.gz SBPDXKXFZOBIFS-FQEVSTJZSA-N 1 1 315.420 4.311 10 0 DIAEMO Cc1ccc2cc(C[N@H+]3CCC[C@H](c4nccs4)C3)ccc2n1 ZINC000187107387 337262605 /nfs/dbraw/zinc/26/26/05/337262605.db2.gz UWUFFXDSCSUMLG-KRWDZBQOSA-N 1 1 323.465 4.379 10 0 DIAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)o1 ZINC000192607787 337306622 /nfs/dbraw/zinc/30/66/22/337306622.db2.gz VFMPIZKWSIJANJ-QWRGUYRKSA-N 1 1 324.783 4.058 10 0 DIAEMO Cc1cc(Cl)cnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584649878 337380699 /nfs/dbraw/zinc/38/06/99/337380699.db2.gz UQCPFPVVBWDWDO-MRXNPFEDSA-N 1 1 300.833 4.423 10 0 DIAEMO Cc1cc(Cl)cnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584649877 337380701 /nfs/dbraw/zinc/38/07/01/337380701.db2.gz UQCPFPVVBWDWDO-INIZCTEOSA-N 1 1 300.833 4.423 10 0 DIAEMO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130770411 337434165 /nfs/dbraw/zinc/43/41/65/337434165.db2.gz LZMXZGYEHIBFKW-HUUCEWRRSA-N 1 1 312.461 4.150 10 0 DIAEMO CCn1cc(C2CC[NH+](Cc3cccc(Cl)c3F)CC2)cn1 ZINC000092809366 337909253 /nfs/dbraw/zinc/90/92/53/337909253.db2.gz RQVMLOVECFPNJD-UHFFFAOYSA-N 1 1 321.827 4.075 10 0 DIAEMO CC1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc2O1 ZINC000153069785 338215829 /nfs/dbraw/zinc/21/58/29/338215829.db2.gz HLHZEOQKGOGNGE-MRXNPFEDSA-N 1 1 303.352 4.357 10 0 DIAEMO C[C@@H](CCSc1ccccc1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000153356107 338222945 /nfs/dbraw/zinc/22/29/45/338222945.db2.gz MZFHRQHVPZGICN-HNNXBMFYSA-N 1 1 315.486 4.160 10 0 DIAEMO Cn1nccc1C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000195503817 340580570 /nfs/dbraw/zinc/58/05/70/340580570.db2.gz OGVHVNXPYDWYMX-UHFFFAOYSA-N 1 1 324.255 4.107 10 0 DIAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)o1 ZINC000193641685 340580729 /nfs/dbraw/zinc/58/07/29/340580729.db2.gz VDWCWTMDEJVPEH-GJZGRUSLSA-N 1 1 322.408 4.419 10 0 DIAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)o1 ZINC000193648477 340580806 /nfs/dbraw/zinc/58/08/06/340580806.db2.gz VCWOXIYZKPPDJR-ZDUSSCGKSA-N 1 1 320.820 4.148 10 0 DIAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)o1 ZINC000193648463 340580818 /nfs/dbraw/zinc/58/08/18/340580818.db2.gz VCWOXIYZKPPDJR-CYBMUJFWSA-N 1 1 320.820 4.148 10 0 DIAEMO CCOC(=O)CCCCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000071293423 341028401 /nfs/dbraw/zinc/02/84/01/341028401.db2.gz MQYFVBIVGKFXLQ-CQSZACIVSA-N 1 1 311.853 4.456 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](C)Cc1ccccc1 ZINC000132333115 341120984 /nfs/dbraw/zinc/12/09/84/341120984.db2.gz ONFOOPKYJAGLTL-HNAYVOBHSA-N 1 1 311.473 4.053 10 0 DIAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)no1 ZINC000245875767 341316912 /nfs/dbraw/zinc/31/69/12/341316912.db2.gz XXXWGQGYRKMYQC-TZMCWYRMSA-N 1 1 319.836 4.047 10 0 DIAEMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247060330 341360551 /nfs/dbraw/zinc/36/05/51/341360551.db2.gz PBPVCZOADKIMFE-RDJZCZTQSA-N 1 1 312.413 4.061 10 0 DIAEMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000247060330 341360552 /nfs/dbraw/zinc/36/05/52/341360552.db2.gz PBPVCZOADKIMFE-RDJZCZTQSA-N 1 1 312.413 4.061 10 0 DIAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)c1 ZINC000247608053 341368037 /nfs/dbraw/zinc/36/80/37/341368037.db2.gz LYBZJZDJRUMMJA-PBHICJAKSA-N 1 1 303.837 4.243 10 0 DIAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3csc(CC)n3)C2)n1 ZINC000157037994 522114051 /nfs/dbraw/zinc/11/40/51/522114051.db2.gz WLWIQFRKJQWZIO-GFCCVEGCSA-N 1 1 321.515 4.104 10 0 DIAEMO CCc1csc([C@@H]2CCC[N@H+](Cc3csc(CC)n3)C2)n1 ZINC000157037994 522114061 /nfs/dbraw/zinc/11/40/61/522114061.db2.gz WLWIQFRKJQWZIO-GFCCVEGCSA-N 1 1 321.515 4.104 10 0 DIAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000126050459 522519736 /nfs/dbraw/zinc/51/97/36/522519736.db2.gz JDDWRJLNZVRWAW-KBXCAEBGSA-N 1 1 320.440 4.179 10 0 DIAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000106213350 522600770 /nfs/dbraw/zinc/60/07/70/522600770.db2.gz IUENWRXYZXMLIX-PKOBYXMFSA-N 1 1 309.457 4.160 10 0 DIAEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000162795635 523294431 /nfs/dbraw/zinc/29/44/31/523294431.db2.gz CCKXNUGNOFHVFQ-LBPRGKRZSA-N 1 1 315.367 4.185 10 0 DIAEMO COc1ccnc(C[NH2+][C@H](C)c2ccc3ccccc3c2)c1OC ZINC000191038790 524835182 /nfs/dbraw/zinc/83/51/82/524835182.db2.gz VYFJDBCLSJDQOC-CQSZACIVSA-N 1 1 322.408 4.103 10 0 DIAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000106225704 526266100 /nfs/dbraw/zinc/26/61/00/526266100.db2.gz CKLCUFAFDGZQCO-MRXNPFEDSA-N 1 1 323.362 4.047 10 0 DIAEMO Cn1c(C[NH2+][C@H](CC2CCCC2)c2ccccc2)nnc1C1CC1 ZINC000181939851 527062856 /nfs/dbraw/zinc/06/28/56/527062856.db2.gz LWBJUPWEFXKTHZ-GOSISDBHSA-N 1 1 324.472 4.104 10 0 DIAEMO Cc1nccnc1[C@H](C)[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000188238762 527457828 /nfs/dbraw/zinc/45/78/28/527457828.db2.gz SUSSNRCPXQPESY-RDJZCZTQSA-N 1 1 323.440 4.272 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)c1c(F)cccc1F ZINC000106211884 527659959 /nfs/dbraw/zinc/65/99/59/527659959.db2.gz ZELVNHHSXWPAFR-BBRMVZONSA-N 1 1 319.399 4.213 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1c(F)cccc1F ZINC000106211884 527659964 /nfs/dbraw/zinc/65/99/64/527659964.db2.gz ZELVNHHSXWPAFR-BBRMVZONSA-N 1 1 319.399 4.213 10 0 DIAEMO C[NH+](C)C[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000120427491 535954835 /nfs/dbraw/zinc/95/48/35/535954835.db2.gz BJHBJVTZBORZAN-MSOLQXFVSA-N 1 1 312.482 4.116 10 0 DIAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000035805111 563454058 /nfs/dbraw/zinc/45/40/58/563454058.db2.gz PSFGCXLDPPHWDB-INIZCTEOSA-N 1 1 318.848 4.174 10 0 DIAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000035805111 563454060 /nfs/dbraw/zinc/45/40/60/563454060.db2.gz PSFGCXLDPPHWDB-INIZCTEOSA-N 1 1 318.848 4.174 10 0 DIAEMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)c(C)c1)Cc1ccncc1 ZINC000055307203 563928345 /nfs/dbraw/zinc/92/83/45/563928345.db2.gz DVTLZJQEHHFFSO-UHFFFAOYSA-N 1 1 320.440 4.111 10 0 DIAEMO Cc1nc([C@H](N[C@H](C)c2cccc(C)c2C)c2ccccc2)n[nH]1 ZINC000162494432 1042127157 /nfs/dbraw/zinc/12/71/57/1042127157.db2.gz WKZOVHZQNXWHAW-DNVCBOLYSA-N 1 1 320.440 4.170 10 0 DIAEMO CC(C)Cc1ncc(C[N@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000092789034 1047540083 /nfs/dbraw/zinc/54/00/83/1047540083.db2.gz GHACDFCTZDDBFY-CYBMUJFWSA-N 1 1 321.515 4.178 10 0 DIAEMO COc1ccc(Cl)cc1[C@@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000077069985 185092755 /nfs/dbraw/zinc/09/27/55/185092755.db2.gz HWKSZUYGQDNDMU-QGZVFWFLSA-N 1 1 301.773 4.451 10 0 DIAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000088560128 185257927 /nfs/dbraw/zinc/25/79/27/185257927.db2.gz QIRVBAMKTVHVIV-KSSFIOAISA-N 1 1 320.440 4.179 10 0 DIAEMO C[C@@H](C[N@H+]1CCCC1(C)C)C(O)(c1ccccc1)c1ccccc1 ZINC000003607271 181039330 /nfs/dbraw/zinc/03/93/30/181039330.db2.gz RFUCPXGESVJBKW-SFHVURJKSA-N 1 1 323.480 4.433 10 0 DIAEMO CCCN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 ZINC000073656253 191338282 /nfs/dbraw/zinc/33/82/82/191338282.db2.gz RKRGHPXOABNRCL-CVEARBPZSA-N 1 1 312.498 4.142 10 0 DIAEMO CCC[N@@H+](CCc1ccsc1)[C@H]1CCc2c(O)cccc2C1 ZINC000005833419 181287495 /nfs/dbraw/zinc/28/74/95/181287495.db2.gz RHRKSVACMIQFDY-KRWDZBQOSA-N 1 1 315.482 4.266 10 0 DIAEMO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1ccc(F)cn1 ZINC000092195728 193172090 /nfs/dbraw/zinc/17/20/90/193172090.db2.gz PBTKWTFKBZMOBD-GHMZBOCLSA-N 1 1 323.209 4.395 10 0 DIAEMO [NH3+][C@@H](c1cc2cc(Br)ccc2o1)c1ccc(F)cc1 ZINC000020389752 182213515 /nfs/dbraw/zinc/21/35/15/182213515.db2.gz XDZPIQXPVSIJGI-OAHLLOKOSA-N 1 1 320.161 4.383 10 0 DIAEMO Fc1cccc(-c2noc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000020661379 182241842 /nfs/dbraw/zinc/24/18/42/182241842.db2.gz UOOZVXWPCHDIQH-UHFFFAOYSA-N 1 1 308.356 4.039 10 0 DIAEMO CCOC(=O)c1cccc(Nc2cc[nH+]c3ccc(OC)cc23)c1 ZINC000041055496 183160366 /nfs/dbraw/zinc/16/03/66/183160366.db2.gz TXWVEVZTAHUZGZ-UHFFFAOYSA-N 1 1 322.364 4.164 10 0 DIAEMO CC(C)C[C@H](C)[N@H+](C)CC(=O)c1ccc(Br)s1 ZINC000042586784 183287953 /nfs/dbraw/zinc/28/79/53/183287953.db2.gz CEQAPRZQXCUBNB-JTQLQIEISA-N 1 1 318.280 4.060 10 0 DIAEMO CC(C)C[C@H](C)[N@@H+](C)CC(=O)c1ccc(Br)s1 ZINC000042586784 183287954 /nfs/dbraw/zinc/28/79/54/183287954.db2.gz CEQAPRZQXCUBNB-JTQLQIEISA-N 1 1 318.280 4.060 10 0 DIAEMO CC[N@H+](Cc1ccco1)Cc1ccc(Br)s1 ZINC000043677834 183378864 /nfs/dbraw/zinc/37/88/64/183378864.db2.gz NGACZWAHNCKODU-UHFFFAOYSA-N 1 1 300.221 4.126 10 0 DIAEMO CC[N@@H+](Cc1ccco1)Cc1ccc(Br)s1 ZINC000043677834 183378865 /nfs/dbraw/zinc/37/88/65/183378865.db2.gz NGACZWAHNCKODU-UHFFFAOYSA-N 1 1 300.221 4.126 10 0 DIAEMO c1ccc(C2(c3ccccc3)CC[N@@H+](CC3CC3)CCO2)cc1 ZINC000059944176 184142689 /nfs/dbraw/zinc/14/26/89/184142689.db2.gz YDNZGVHTKFCJMJ-UHFFFAOYSA-N 1 1 307.437 4.063 10 0 DIAEMO Cn1nccc1C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000092810578 332131259 /nfs/dbraw/zinc/13/12/59/332131259.db2.gz WJYVTTGNZZGHQO-UHFFFAOYSA-N 1 1 324.255 4.107 10 0 DIAEMO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc2ccccc2n1 ZINC000178443740 333138862 /nfs/dbraw/zinc/13/88/62/333138862.db2.gz UXJLSHZZKMLYOT-HRAATJIYSA-N 1 1 319.452 4.188 10 0 DIAEMO CC[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cc1 ZINC000120424136 333282251 /nfs/dbraw/zinc/28/22/51/333282251.db2.gz WVGADKZNMNYSFF-OALUTQOASA-N 1 1 300.421 4.169 10 0 DIAEMO CN(C)C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccccc1 ZINC000020548601 333322170 /nfs/dbraw/zinc/32/21/70/333322170.db2.gz MTIJFPFINAMXNB-MRXNPFEDSA-N 1 1 323.267 4.386 10 0 DIAEMO CCn1cc(C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cn1 ZINC000188988602 334880027 /nfs/dbraw/zinc/88/00/27/334880027.db2.gz YZHQICVEXSRQQY-UHFFFAOYSA-N 1 1 321.827 4.075 10 0 DIAEMO Fc1ccccc1C[C@@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC000191698802 335830743 /nfs/dbraw/zinc/83/07/43/335830743.db2.gz ZYQLEAJEHSFMHL-GOSISDBHSA-N 1 1 312.413 4.356 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1nc2ccccc2n1C ZINC000192725052 336259412 /nfs/dbraw/zinc/25/94/12/336259412.db2.gz XHXSEUUXOQDBJC-NWDGAFQWSA-N 1 1 315.367 4.263 10 0 DIAEMO Cc1cccc(NC2CCN(c3nc4ccccc4s3)CC2)[nH+]1 ZINC000301286908 336298943 /nfs/dbraw/zinc/29/89/43/336298943.db2.gz LYJBKQONAGNRFB-UHFFFAOYSA-N 1 1 324.453 4.081 10 0 DIAEMO c1cc2[nH+]ccc(NCc3ccnc(OCC4CC4)c3)c2s1 ZINC000301386494 336303890 /nfs/dbraw/zinc/30/38/90/336303890.db2.gz CQUYAADVMDQYIQ-UHFFFAOYSA-N 1 1 311.410 4.092 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000122751905 337023350 /nfs/dbraw/zinc/02/33/50/337023350.db2.gz HRFYVMHCAOHRNX-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000122751905 337023351 /nfs/dbraw/zinc/02/33/51/337023351.db2.gz HRFYVMHCAOHRNX-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000122794167 337024186 /nfs/dbraw/zinc/02/41/86/337024186.db2.gz BHNDBKPMMJYJPL-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000122794167 337024187 /nfs/dbraw/zinc/02/41/87/337024187.db2.gz BHNDBKPMMJYJPL-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3c(C)oc4ccccc43)C2)c1 ZINC000123040581 337034543 /nfs/dbraw/zinc/03/45/43/337034543.db2.gz WLSRNMRIQHZSLT-INIZCTEOSA-N 1 1 309.413 4.083 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000178530655 337163537 /nfs/dbraw/zinc/16/35/37/337163537.db2.gz FTDGHUMHZGABOR-QGZVFWFLSA-N 1 1 309.413 4.120 10 0 DIAEMO Cc1ncc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)s1 ZINC000179142414 337168108 /nfs/dbraw/zinc/16/81/08/337168108.db2.gz YAILFHJAKBPVLF-FZKQIMNGSA-N 1 1 309.438 4.287 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000180120301 337171384 /nfs/dbraw/zinc/17/13/84/337171384.db2.gz PEUMXIZNQZSAEN-GOSISDBHSA-N 1 1 321.424 4.116 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000180132431 337171551 /nfs/dbraw/zinc/17/15/51/337171551.db2.gz JONIRTPUALFYSF-AWEZNQCLSA-N 1 1 324.255 4.163 10 0 DIAEMO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(Oc3ccccc3)o2)cn1 ZINC000180429417 337174543 /nfs/dbraw/zinc/17/45/43/337174543.db2.gz MBEIWQFXJUFAEG-SFHVURJKSA-N 1 1 323.396 4.143 10 0 DIAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(Oc3ccccc3)o2)cn1 ZINC000180429417 337174544 /nfs/dbraw/zinc/17/45/44/337174544.db2.gz MBEIWQFXJUFAEG-SFHVURJKSA-N 1 1 323.396 4.143 10 0 DIAEMO c1coc([C@@H]2CCC[N@H+]2Cc2c(C3CC3)nc3sccn23)c1 ZINC000180193138 337175268 /nfs/dbraw/zinc/17/52/68/337175268.db2.gz LKUONIGYUJXLEM-ZDUSSCGKSA-N 1 1 313.426 4.203 10 0 DIAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2c(C3CC3)nc3sccn23)c1 ZINC000180193138 337175269 /nfs/dbraw/zinc/17/52/69/337175269.db2.gz LKUONIGYUJXLEM-ZDUSSCGKSA-N 1 1 313.426 4.203 10 0 DIAEMO c1coc([C@H]2CCC[N@H+]2Cc2c(C3CC3)nc3sccn23)c1 ZINC000180193156 337175322 /nfs/dbraw/zinc/17/53/22/337175322.db2.gz LKUONIGYUJXLEM-CYBMUJFWSA-N 1 1 313.426 4.203 10 0 DIAEMO c1coc([C@H]2CCC[N@@H+]2Cc2c(C3CC3)nc3sccn23)c1 ZINC000180193156 337175323 /nfs/dbraw/zinc/17/53/23/337175323.db2.gz LKUONIGYUJXLEM-CYBMUJFWSA-N 1 1 313.426 4.203 10 0 DIAEMO CC(C)c1[nH+]ccn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000182853665 337190512 /nfs/dbraw/zinc/19/05/12/337190512.db2.gz BXGITGRGSMNOPY-UHFFFAOYSA-N 1 1 301.777 4.363 10 0 DIAEMO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186053837 337253153 /nfs/dbraw/zinc/25/31/53/337253153.db2.gz GKSGQEQJAKPZPI-VFNWGFHPSA-N 1 1 315.420 4.167 10 0 DIAEMO COc1ccc2nc(C[NH2+][C@H](C)c3ccc(C)o3)sc2c1 ZINC000187494268 337266319 /nfs/dbraw/zinc/26/63/19/337266319.db2.gz UGDRGLFSRLCJGQ-LLVKDONJSA-N 1 1 302.399 4.057 10 0 DIAEMO Cc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccco3)cc(=O)oc2c1 ZINC000116295746 337392582 /nfs/dbraw/zinc/39/25/82/337392582.db2.gz OHRFSCXJGSGWSB-MRXNPFEDSA-N 1 1 309.365 4.032 10 0 DIAEMO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298501 337392607 /nfs/dbraw/zinc/39/26/07/337392607.db2.gz CLUBHVMFLPGNCW-UKRRQHHQSA-N 1 1 309.369 4.228 10 0 DIAEMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116298501 337392608 /nfs/dbraw/zinc/39/26/08/337392608.db2.gz CLUBHVMFLPGNCW-UKRRQHHQSA-N 1 1 309.369 4.228 10 0 DIAEMO Cn1cc([C@H]2CCC[N@H+]2C2c3ccccc3-c3ccccc32)cn1 ZINC000173318227 340362235 /nfs/dbraw/zinc/36/22/35/340362235.db2.gz AGYRTKMHOYDKAX-HXUWFJFHSA-N 1 1 315.420 4.327 10 0 DIAEMO C[C@H](Nc1cc[nH+]c(N(C)C)n1)c1ccc(Cl)cc1Cl ZINC000068690058 340924745 /nfs/dbraw/zinc/92/47/45/340924745.db2.gz ORMJGKFRMROKFX-VIFPVBQESA-N 1 1 311.216 4.023 10 0 DIAEMO C[C@H](CCSc1ccccc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245698666 341310344 /nfs/dbraw/zinc/31/03/44/341310344.db2.gz SYNFAGMCSKEBEJ-QAPCUYQASA-N 1 1 315.486 4.128 10 0 DIAEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)n1 ZINC000246197902 341332873 /nfs/dbraw/zinc/33/28/73/341332873.db2.gz XKEMFFUFKPNFGN-HZPDHXFCSA-N 1 1 313.420 4.024 10 0 DIAEMO CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247005126 341359770 /nfs/dbraw/zinc/35/97/70/341359770.db2.gz KZEBLQHBEWONRP-MAUKXSAKSA-N 1 1 319.399 4.085 10 0 DIAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)c3ccccc3Cl)C2)c1 ZINC000247605839 341368041 /nfs/dbraw/zinc/36/80/41/341368041.db2.gz LQDGMVSVYGPOTD-CABCVRRESA-N 1 1 303.837 4.243 10 0 DIAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000247871602 341370839 /nfs/dbraw/zinc/37/08/39/341370839.db2.gz XQNDFJULLPAQSD-MJGOQNOKSA-N 1 1 311.473 4.104 10 0 DIAEMO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cs1 ZINC000156992044 519096871 /nfs/dbraw/zinc/09/68/71/519096871.db2.gz KFJYNHUMKJSHGC-LBPRGKRZSA-N 1 1 321.515 4.277 10 0 DIAEMO CC(C)(C)c1nc(C[N@H+]2CCC[C@H](c3nccs3)C2)cs1 ZINC000156992044 519096875 /nfs/dbraw/zinc/09/68/75/519096875.db2.gz KFJYNHUMKJSHGC-LBPRGKRZSA-N 1 1 321.515 4.277 10 0 DIAEMO CC(C)c1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181437327 519840012 /nfs/dbraw/zinc/84/00/12/519840012.db2.gz UGYJMOVFZKYAAV-AWEZNQCLSA-N 1 1 324.472 4.465 10 0 DIAEMO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000181408308 521625376 /nfs/dbraw/zinc/62/53/76/521625376.db2.gz PKVWQUURPOHTKJ-HNNXBMFYSA-N 1 1 314.477 4.046 10 0 DIAEMO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182611208 521625508 /nfs/dbraw/zinc/62/55/08/521625508.db2.gz KOBOOKNPPKJERN-AWEZNQCLSA-N 1 1 314.477 4.145 10 0 DIAEMO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000181423541 523152686 /nfs/dbraw/zinc/15/26/86/523152686.db2.gz MNRWNCSNLNRKGK-HNNXBMFYSA-N 1 1 320.440 4.124 10 0 DIAEMO Cc1cccc(N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)[nH+]1 ZINC000157562896 524540584 /nfs/dbraw/zinc/54/05/84/524540584.db2.gz FLFGWYQQUBXHEH-KRWDZBQOSA-N 1 1 318.424 4.164 10 0 DIAEMO C[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccc(F)c(Cl)c1 ZINC000180744602 525551566 /nfs/dbraw/zinc/55/15/66/525551566.db2.gz PNUHIXKJRIRYHP-SSDOTTSWSA-N 1 1 305.205 4.440 10 0 DIAEMO Cc1nc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)oc1C ZINC000127720808 526858858 /nfs/dbraw/zinc/85/88/58/526858858.db2.gz PPSZWMRNFGQWEL-CQSZACIVSA-N 1 1 319.474 4.251 10 0 DIAEMO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)oc1C ZINC000127720808 526858862 /nfs/dbraw/zinc/85/88/62/526858862.db2.gz PPSZWMRNFGQWEL-CQSZACIVSA-N 1 1 319.474 4.251 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3n2)cs1 ZINC000189804121 527052231 /nfs/dbraw/zinc/05/22/31/527052231.db2.gz CSMITWFMZFRJFY-SFHVURJKSA-N 1 1 309.438 4.337 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)cs1 ZINC000189804121 527052238 /nfs/dbraw/zinc/05/22/38/527052238.db2.gz CSMITWFMZFRJFY-SFHVURJKSA-N 1 1 309.438 4.337 10 0 DIAEMO Cc1ncc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)s1 ZINC000127696785 527254872 /nfs/dbraw/zinc/25/48/72/527254872.db2.gz RYMYPSJOJIIDDL-CYBMUJFWSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccc(F)cc1 ZINC000106206043 527660315 /nfs/dbraw/zinc/66/03/15/527660315.db2.gz AAGONRFYRFYTDM-GUYCJALGSA-N 1 1 301.409 4.074 10 0 DIAEMO FC(F)Oc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000157020917 527695675 /nfs/dbraw/zinc/69/56/75/527695675.db2.gz XNMHOCZTCLHHPN-ZDUSSCGKSA-N 1 1 324.396 4.124 10 0 DIAEMO CCn1cc(C[N@H+](Cc2ccnc3ccccc23)CC(C)C)cn1 ZINC000055211946 563472620 /nfs/dbraw/zinc/47/26/20/563472620.db2.gz NPQQFSMOAHPDGQ-UHFFFAOYSA-N 1 1 322.456 4.109 10 0 DIAEMO C[N@H+]1CC[C@H]2[C@H](C1)c1cc(Cl)ccc1N2Cc1ccccc1 ZINC000536555936 563889494 /nfs/dbraw/zinc/88/94/94/563889494.db2.gz CSLZACPQIWUACW-MJGOQNOKSA-N 1 1 312.844 4.148 10 0 DIAEMO CCc1ccc([C@@H](C)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)cc1 ZINC000162484024 1042127478 /nfs/dbraw/zinc/12/74/78/1042127478.db2.gz HSBIQHPJHAFGRW-AUUYWEPGSA-N 1 1 320.440 4.116 10 0 DIAEMO c1csc([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n1 ZINC000195351263 1046596347 /nfs/dbraw/zinc/59/63/47/1046596347.db2.gz JKSPEAMHDOQGHZ-GFCCVEGCSA-N 1 1 315.467 4.132 10 0 DIAEMO Cc1cncc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248713413 1046849906 /nfs/dbraw/zinc/84/99/06/1046849906.db2.gz JYROJYYUEKRLHW-BBTUJRGHSA-N 1 1 323.484 4.094 10 0 DIAEMO Cc1cncc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248713413 1046849925 /nfs/dbraw/zinc/84/99/25/1046849925.db2.gz JYROJYYUEKRLHW-BBTUJRGHSA-N 1 1 323.484 4.094 10 0 DIAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000090227007 185287715 /nfs/dbraw/zinc/28/77/15/185287715.db2.gz XFPWNAHULBVTID-SUMWQHHRSA-N 1 1 312.461 4.070 10 0 DIAEMO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccc(F)cn1 ZINC000092195718 193172559 /nfs/dbraw/zinc/17/25/59/193172559.db2.gz PBTKWTFKBZMOBD-QWRGUYRKSA-N 1 1 323.209 4.395 10 0 DIAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000093438134 193251130 /nfs/dbraw/zinc/25/11/30/193251130.db2.gz DANXLBZUFGRAAB-FQEVSTJZSA-N 1 1 318.424 4.199 10 0 DIAEMO CCC1CCC([N@H+](C)[C@@H](CN)c2ccc(Cl)s2)CC1 ZINC000042318508 183253463 /nfs/dbraw/zinc/25/34/63/183253463.db2.gz VLODNPOSSZLJQE-BPCQOVAHSA-N 1 1 300.899 4.302 10 0 DIAEMO CCC1CCC([N@@H+](C)[C@@H](CN)c2ccc(Cl)s2)CC1 ZINC000042318508 183253465 /nfs/dbraw/zinc/25/34/65/183253465.db2.gz VLODNPOSSZLJQE-BPCQOVAHSA-N 1 1 300.899 4.302 10 0 DIAEMO CC(C)C[N@@H+](C(C)C)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000042579236 183286740 /nfs/dbraw/zinc/28/67/40/183286740.db2.gz VEBNFRRMFGTEKD-HNNXBMFYSA-N 1 1 303.277 4.360 10 0 DIAEMO CC(C)CN(C(C)C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042579236 183286743 /nfs/dbraw/zinc/28/67/43/183286743.db2.gz VEBNFRRMFGTEKD-HNNXBMFYSA-N 1 1 303.277 4.360 10 0 DIAEMO COc1ccc(C[N@@H+](CC(C)C)C(C)C)cc1Br ZINC000042590396 183288838 /nfs/dbraw/zinc/28/88/38/183288838.db2.gz JPOZMUBFQVRYJI-UHFFFAOYSA-N 1 1 314.267 4.324 10 0 DIAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1c(N)cccc1Br ZINC000042601478 183290140 /nfs/dbraw/zinc/29/01/40/183290140.db2.gz PUSCJWIRWSODJC-ABAIWWIYSA-N 1 1 311.267 4.042 10 0 DIAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)c1cccc(Br)c1 ZINC000042609051 183290152 /nfs/dbraw/zinc/29/01/52/183290152.db2.gz WSXPIFHYMROKLB-DOMZBBRYSA-N 1 1 324.262 4.142 10 0 DIAEMO C[C@H]([N@H+](C)CC(=O)c1sccc1Br)C(C)(C)C ZINC000042773994 183307079 /nfs/dbraw/zinc/30/70/79/183307079.db2.gz WXOROQMBARZYPT-VIFPVBQESA-N 1 1 318.280 4.060 10 0 DIAEMO C[C@H]([N@@H+](C)CC(=O)c1sccc1Br)C(C)(C)C ZINC000042773994 183307081 /nfs/dbraw/zinc/30/70/81/183307081.db2.gz WXOROQMBARZYPT-VIFPVBQESA-N 1 1 318.280 4.060 10 0 DIAEMO Cc1cccnc1C[N@H+](C)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000065403755 184337185 /nfs/dbraw/zinc/33/71/85/184337185.db2.gz YVZQSADNSKLISU-KRWDZBQOSA-N 1 1 316.470 4.325 10 0 DIAEMO Cc1cccnc1C[N@@H+](C)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000065403755 184337187 /nfs/dbraw/zinc/33/71/87/184337187.db2.gz YVZQSADNSKLISU-KRWDZBQOSA-N 1 1 316.470 4.325 10 0 DIAEMO CC(C)c1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1 ZINC000067127568 184450464 /nfs/dbraw/zinc/45/04/64/184450464.db2.gz MTUYCAYOYSLDQC-ZDUSSCGKSA-N 1 1 311.385 4.304 10 0 DIAEMO O=C1CCCC[C@@H]2[C@H]1[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000253615998 257104312 /nfs/dbraw/zinc/10/43/12/257104312.db2.gz KRJQERWTNABLPQ-TUNNFDKTSA-N 1 1 319.448 4.414 10 0 DIAEMO COc1ccc([C@H](C)[NH2+]Cc2ccsc2Cl)cc1OC ZINC000312564659 331645713 /nfs/dbraw/zinc/64/57/13/331645713.db2.gz YKCIPRQCIZGFMK-JTQLQIEISA-N 1 1 311.834 4.270 10 0 DIAEMO CC(C)n1cncc1C[NH2+][C@H](C)c1ccccc1Br ZINC000090207893 331822539 /nfs/dbraw/zinc/82/25/39/331822539.db2.gz UHWTWBTWMLATNM-GFCCVEGCSA-N 1 1 322.250 4.077 10 0 DIAEMO C[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1cccs1 ZINC000179191703 333024495 /nfs/dbraw/zinc/02/44/95/333024495.db2.gz SVQORUNLIREDKK-YUMQZZPRSA-N 1 1 317.277 4.379 10 0 DIAEMO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc2ccccc2n1 ZINC000178443717 333138834 /nfs/dbraw/zinc/13/88/34/333138834.db2.gz UXJLSHZZKMLYOT-KKSFZXQISA-N 1 1 319.452 4.188 10 0 DIAEMO CC[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cc1 ZINC000120424618 333282467 /nfs/dbraw/zinc/28/24/67/333282467.db2.gz WVGADKZNMNYSFF-RTBURBONSA-N 1 1 300.421 4.169 10 0 DIAEMO Fc1ccc(CC[N@@H+]2CCCC[C@H]2c2nccs2)cc1F ZINC000152007734 333397458 /nfs/dbraw/zinc/39/74/58/333397458.db2.gz RRDQJWFRRRTVQJ-HNNXBMFYSA-N 1 1 308.397 4.191 10 0 DIAEMO Fc1ccc(CC[N@H+]2CCCC[C@H]2c2nccs2)cc1F ZINC000152007734 333397459 /nfs/dbraw/zinc/39/74/59/333397459.db2.gz RRDQJWFRRRTVQJ-HNNXBMFYSA-N 1 1 308.397 4.191 10 0 DIAEMO C[NH2+]CCC1CCN([C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000070189024 334728695 /nfs/dbraw/zinc/72/86/95/334728695.db2.gz YVMNYAVWAHCISW-LBPRGKRZSA-N 1 1 315.288 4.376 10 0 DIAEMO Cc1nc(-c2cccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)cs1 ZINC000192779921 336261618 /nfs/dbraw/zinc/26/16/18/336261618.db2.gz XRTITPWQFLQCDA-ALOPSCKCSA-N 1 1 313.470 4.156 10 0 DIAEMO COc1ccc([C@@H](C)Nc2cc[nH+]c3ccsc32)cc1OC ZINC000301367522 336302838 /nfs/dbraw/zinc/30/28/38/336302838.db2.gz ODUOTXREHUVMEV-LLVKDONJSA-N 1 1 314.410 4.487 10 0 DIAEMO Cc1ccc([C@@](C)(O)CNc2cc[nH+]c3cc(Cl)ccc23)o1 ZINC000301435664 336306576 /nfs/dbraw/zinc/30/65/76/336306576.db2.gz RYXLQURDLQTGOG-KRWDZBQOSA-N 1 1 316.788 4.109 10 0 DIAEMO COc1cccc2c(N3CCC[C@@H]3c3ccco3)cc(C)[nH+]c12 ZINC000301667994 336322190 /nfs/dbraw/zinc/32/21/90/336322190.db2.gz MOKVPCGVAUVQJJ-OAHLLOKOSA-N 1 1 308.381 4.486 10 0 DIAEMO COc1cccc2c(NCc3nc(C)sc3C)cc(C)[nH+]c12 ZINC000301837720 336333223 /nfs/dbraw/zinc/33/32/23/336333223.db2.gz MWVPUZGPVJNWAM-UHFFFAOYSA-N 1 1 313.426 4.237 10 0 DIAEMO CCc1cc(N[C@H](CCOC)c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000302101600 336348577 /nfs/dbraw/zinc/34/85/77/336348577.db2.gz QAABSERXJNOBDE-MRXNPFEDSA-N 1 1 319.836 4.191 10 0 DIAEMO CC(C)c1nc2c(n1C)CC[N@@H+](CC[C@H](C)c1ccccc1)C2 ZINC000193921696 337080648 /nfs/dbraw/zinc/08/06/48/337080648.db2.gz OXBIHMMMWLBAJO-INIZCTEOSA-N 1 1 311.473 4.095 10 0 DIAEMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccs1 ZINC000171111324 337086701 /nfs/dbraw/zinc/08/67/01/337086701.db2.gz CGWFRXHTIDBRJR-SNVBAGLBSA-N 1 1 319.817 4.302 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(F)c1 ZINC000171518838 337087678 /nfs/dbraw/zinc/08/76/78/337087678.db2.gz RCQIGIMJRFYICB-SUMWQHHRSA-N 1 1 301.409 4.074 10 0 DIAEMO CCn1c(C)nnc1C[N@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000172195480 337090254 /nfs/dbraw/zinc/09/02/54/337090254.db2.gz XJBFCNFDIUUCJF-GOSISDBHSA-N 1 1 312.461 4.032 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000179541174 337170113 /nfs/dbraw/zinc/17/01/13/337170113.db2.gz GQJHOQBZLGYMDD-OAHLLOKOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000179541174 337170114 /nfs/dbraw/zinc/17/01/14/337170114.db2.gz GQJHOQBZLGYMDD-OAHLLOKOSA-N 1 1 321.827 4.167 10 0 DIAEMO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccs1 ZINC000182546642 337188890 /nfs/dbraw/zinc/18/88/90/337188890.db2.gz QWBIYAULZZVBCJ-LLVKDONJSA-N 1 1 302.374 4.393 10 0 DIAEMO CC(C)c1csc([C@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)n1 ZINC000189410948 337279795 /nfs/dbraw/zinc/27/97/95/337279795.db2.gz DAYQKKUDMBFGRX-GJZGRUSLSA-N 1 1 308.491 4.015 10 0 DIAEMO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nccn1-c1ccccc1 ZINC000191529876 337298812 /nfs/dbraw/zinc/29/88/12/337298812.db2.gz KNMJIRRYSCKTNZ-IBGZPJMESA-N 1 1 321.399 4.179 10 0 DIAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)o1 ZINC000192607769 337306655 /nfs/dbraw/zinc/30/66/55/337306655.db2.gz VFMPIZKWSIJANJ-MNOVXSKESA-N 1 1 324.783 4.058 10 0 DIAEMO Fc1ccc(-c2ccn3c2C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000584648829 337380372 /nfs/dbraw/zinc/38/03/72/337380372.db2.gz UYOCQJZEEIXRGT-UHFFFAOYSA-N 1 1 306.384 4.310 10 0 DIAEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116289763 337392498 /nfs/dbraw/zinc/39/24/98/337392498.db2.gz LHMQHOCMRFYQIP-DOTOQJQBSA-N 1 1 312.413 4.061 10 0 DIAEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116289763 337392499 /nfs/dbraw/zinc/39/24/99/337392499.db2.gz LHMQHOCMRFYQIP-DOTOQJQBSA-N 1 1 312.413 4.061 10 0 DIAEMO Clc1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c2c(c1)COCO2 ZINC000116292996 337392613 /nfs/dbraw/zinc/39/26/13/337392613.db2.gz HXNSKAPUKQHTNW-OAHLLOKOSA-N 1 1 319.788 4.137 10 0 DIAEMO Clc1cc(C[N@H+]2CCC[C@@H]2c2ccco2)c2c(c1)COCO2 ZINC000116292996 337392614 /nfs/dbraw/zinc/39/26/14/337392614.db2.gz HXNSKAPUKQHTNW-OAHLLOKOSA-N 1 1 319.788 4.137 10 0 DIAEMO CC[NH2+]CC1CCN([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000129875240 340987820 /nfs/dbraw/zinc/98/78/20/340987820.db2.gz HGQXCNCRBBXKPY-GFCCVEGCSA-N 1 1 315.288 4.376 10 0 DIAEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)c1 ZINC000132680760 341140498 /nfs/dbraw/zinc/14/04/98/341140498.db2.gz NSIVCUOMXCEOLP-PKOBYXMFSA-N 1 1 313.420 4.045 10 0 DIAEMO COc1ccc([C@@H](C)C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000245608119 341305173 /nfs/dbraw/zinc/30/51/73/341305173.db2.gz ABZNEKONHPDASK-YOEHRIQHSA-N 1 1 316.470 4.482 10 0 DIAEMO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246525107 341352550 /nfs/dbraw/zinc/35/25/50/341352550.db2.gz UYQWXQMUJZKBRH-LLGFUMIMSA-N 1 1 323.484 4.128 10 0 DIAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246525107 341352551 /nfs/dbraw/zinc/35/25/51/341352551.db2.gz UYQWXQMUJZKBRH-LLGFUMIMSA-N 1 1 323.484 4.128 10 0 DIAEMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246795690 341357069 /nfs/dbraw/zinc/35/70/69/341357069.db2.gz SMKPMXRSAMYTGS-NWDGAFQWSA-N 1 1 322.861 4.493 10 0 DIAEMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCS[C@@H](C)C1 ZINC000246795690 341357070 /nfs/dbraw/zinc/35/70/70/341357070.db2.gz SMKPMXRSAMYTGS-NWDGAFQWSA-N 1 1 322.861 4.493 10 0 DIAEMO COc1cccc([C@@H](C)[N@H+]2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000247272388 341363019 /nfs/dbraw/zinc/36/30/19/341363019.db2.gz WJOQMBYPHMVGPY-ZBFHGGJFSA-N 1 1 316.470 4.401 10 0 DIAEMO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cs1 ZINC000156992195 519096436 /nfs/dbraw/zinc/09/64/36/519096436.db2.gz KFJYNHUMKJSHGC-GFCCVEGCSA-N 1 1 321.515 4.277 10 0 DIAEMO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cs1 ZINC000156992195 519096441 /nfs/dbraw/zinc/09/64/41/519096441.db2.gz KFJYNHUMKJSHGC-GFCCVEGCSA-N 1 1 321.515 4.277 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CCc3ccccn3)C2)n1 ZINC000127673736 519856677 /nfs/dbraw/zinc/85/66/77/519856677.db2.gz NIQINSUNXLPDTH-OAHLLOKOSA-N 1 1 315.486 4.084 10 0 DIAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000106222797 526268004 /nfs/dbraw/zinc/26/80/04/526268004.db2.gz AFMJXSGYZHWISB-INIZCTEOSA-N 1 1 323.362 4.047 10 0 DIAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000156971641 526442372 /nfs/dbraw/zinc/44/23/72/526442372.db2.gz KFLDOWGMIBCLEY-ZDUSSCGKSA-N 1 1 308.397 4.109 10 0 DIAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)n1 ZINC000156982547 526442491 /nfs/dbraw/zinc/44/24/91/526442491.db2.gz BJSFOIUXBSOJSP-LBPRGKRZSA-N 1 1 308.397 4.109 10 0 DIAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)n1 ZINC000156970056 526443989 /nfs/dbraw/zinc/44/39/89/526443989.db2.gz SAOZIDRPZCJHNQ-KRWDZBQOSA-N 1 1 323.465 4.379 10 0 DIAEMO Cc1noc(C)c1C[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180233942 526514914 /nfs/dbraw/zinc/51/49/14/526514914.db2.gz SMKRGGHGYLIPMN-UHFFFAOYSA-N 1 1 318.420 4.269 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000106211787 527659344 /nfs/dbraw/zinc/65/93/44/527659344.db2.gz TUHROWJOENWEGN-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1c(F)cccc1Cl ZINC000106211787 527659345 /nfs/dbraw/zinc/65/93/45/527659345.db2.gz TUHROWJOENWEGN-INIZCTEOSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000106206027 527659775 /nfs/dbraw/zinc/65/97/75/527659775.db2.gz NRKSDZRRXJICBY-INIZCTEOSA-N 1 1 303.837 4.027 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1F ZINC000106207038 527662429 /nfs/dbraw/zinc/66/24/29/527662429.db2.gz XYOFFTCRAUHGJI-SUMWQHHRSA-N 1 1 301.409 4.074 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1ccc(F)cc1 ZINC000106206045 527662521 /nfs/dbraw/zinc/66/25/21/527662521.db2.gz AAGONRFYRFYTDM-SUMWQHHRSA-N 1 1 301.409 4.074 10 0 DIAEMO C[NH+](C)C[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000120427808 535955628 /nfs/dbraw/zinc/95/56/28/535955628.db2.gz BJHBJVTZBORZAN-ROUUACIJSA-N 1 1 312.482 4.116 10 0 DIAEMO Clc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1Cl ZINC000048409090 563574542 /nfs/dbraw/zinc/57/45/42/563574542.db2.gz NEKGIDCHGUTEHN-UHFFFAOYSA-N 1 1 306.196 4.160 10 0 DIAEMO Cc1cc(-c2nnc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)o2)c(C)o1 ZINC000407951724 1041298418 /nfs/dbraw/zinc/29/84/18/1041298418.db2.gz GPDUZBDZJMDWTL-GDBMZVCRSA-N 1 1 315.417 4.101 10 0 DIAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccsc1Cl ZINC000249188079 1046861111 /nfs/dbraw/zinc/86/11/11/1046861111.db2.gz LZKJFEXRDNFZET-TZMCWYRMSA-N 1 1 321.877 4.119 10 0 DIAEMO CCCCC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000090227146 185287772 /nfs/dbraw/zinc/28/77/72/185287772.db2.gz JGALEVWULAHMNT-QZTJIDSGSA-N 1 1 312.461 4.333 10 0 DIAEMO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)c2ccccc12 ZINC000090530848 185300888 /nfs/dbraw/zinc/30/08/88/185300888.db2.gz UDKUHAJWDBRPAX-ZFWWWQNUSA-N 1 1 323.440 4.162 10 0 DIAEMO Cc1nc(N2CCCC2)c2ccc(Nc3ccc(F)cc3)cc2[nH+]1 ZINC000090558350 185303167 /nfs/dbraw/zinc/30/31/67/185303167.db2.gz YCCSSJDNRCMHCC-UHFFFAOYSA-N 1 1 322.387 4.421 10 0 DIAEMO Nc1[nH+]cnc2c1c(-c1cccc(Cl)c1)cn2-c1ccccc1 ZINC000003815377 181047019 /nfs/dbraw/zinc/04/70/19/181047019.db2.gz KKYWVNPRFIJNKB-UHFFFAOYSA-N 1 1 320.783 4.323 10 0 DIAEMO C[C@H](C[N@H+]1CCCC1(C)C)C(O)(c1ccccc1)c1ccccc1 ZINC000003607273 181039707 /nfs/dbraw/zinc/03/97/07/181039707.db2.gz RFUCPXGESVJBKW-GOSISDBHSA-N 1 1 323.480 4.433 10 0 DIAEMO CCCC[N@H+]1CC[C@H](N(CCC)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073656061 191337505 /nfs/dbraw/zinc/33/75/05/191337505.db2.gz VIQAJHJJZNBPFD-HOTGVXAUSA-N 1 1 312.498 4.287 10 0 DIAEMO CCC[N@H+]1CC[C@H](N(CC(C)C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073655955 191338330 /nfs/dbraw/zinc/33/83/30/191338330.db2.gz ROELZHDDRLOOQT-HOTGVXAUSA-N 1 1 312.498 4.142 10 0 DIAEMO C[C@@H]1[N@@H+](CCc2ccccc2)CCC[C@]1(C)c1cccc(O)c1 ZINC000006066980 181310096 /nfs/dbraw/zinc/31/00/96/181310096.db2.gz QJSHWACLCHUVNZ-UWJYYQICSA-N 1 1 309.453 4.377 10 0 DIAEMO C[C@@H]1CCCC[N@H+]1CCCOc1ccccc1Br ZINC000006183148 181317822 /nfs/dbraw/zinc/31/78/22/181317822.db2.gz KEJXBVBYHRBEQA-CYBMUJFWSA-N 1 1 312.251 4.092 10 0 DIAEMO Cc1cccnc1C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000093176330 193212495 /nfs/dbraw/zinc/21/24/95/193212495.db2.gz FQBKRVPOVSTQNT-HNNXBMFYSA-N 1 1 315.486 4.350 10 0 DIAEMO CC(C)=CC[N@@H+]1Cc2c3c(ccc2C)[nH]c(=S)n3C[C@@H]1C ZINC000013474549 181854114 /nfs/dbraw/zinc/85/41/14/181854114.db2.gz RZFLHYQFGJSNNI-ZDUSSCGKSA-N 1 1 301.459 4.178 10 0 DIAEMO Nc1c(NC2CCCCCC2)nc[nH+]c1NC1CCCCCC1 ZINC000040800895 183135182 /nfs/dbraw/zinc/13/51/82/183135182.db2.gz BJANHKCNIWHTCO-UHFFFAOYSA-N 1 1 317.481 4.328 10 0 DIAEMO CC(C)C[N@@H+](CC(=O)c1ccc(Br)s1)C(C)C ZINC000042587838 183287869 /nfs/dbraw/zinc/28/78/69/183287869.db2.gz VPFUMTXPNJTQOJ-UHFFFAOYSA-N 1 1 318.280 4.060 10 0 DIAEMO CC(C)[N@@H+](CC1CC1)[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000042587952 183288086 /nfs/dbraw/zinc/28/80/86/183288086.db2.gz KAJUAUJOIIDZMF-LBPRGKRZSA-N 1 1 324.262 4.141 10 0 DIAEMO CCCC[N@@H+](Cc1c(N)cccc1Br)[C@H](C)CC ZINC000042600577 183290514 /nfs/dbraw/zinc/29/05/14/183290514.db2.gz IMYMFRZHEHUJKI-GFCCVEGCSA-N 1 1 313.283 4.432 10 0 DIAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)c1ccc(Br)cc1 ZINC000042608974 183290547 /nfs/dbraw/zinc/29/05/47/183290547.db2.gz NMUBPZQZABQYCX-SWLSCSKDSA-N 1 1 324.262 4.142 10 0 DIAEMO CCC[N@H+]1CC[C@H](N(CC(C)C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000242648978 257259535 /nfs/dbraw/zinc/25/95/35/257259535.db2.gz ROELZHDDRLOOQT-CVEARBPZSA-N 1 1 312.498 4.142 10 0 DIAEMO OC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1c1ccsc1 ZINC000188056826 333021328 /nfs/dbraw/zinc/02/13/28/333021328.db2.gz MBVYXDFUYLTXEJ-PMACEKPBSA-N 1 1 323.461 4.109 10 0 DIAEMO CN(C)C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccccc1 ZINC000020548602 333322003 /nfs/dbraw/zinc/32/20/03/333322003.db2.gz MTIJFPFINAMXNB-INIZCTEOSA-N 1 1 323.267 4.386 10 0 DIAEMO C[NH2+]CCC1CCN([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000070188841 334728683 /nfs/dbraw/zinc/72/86/83/334728683.db2.gz XBZSFFQHWLNLPY-GFCCVEGCSA-N 1 1 315.288 4.376 10 0 DIAEMO CC(C)c1ccc([C@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000189945742 334916944 /nfs/dbraw/zinc/91/69/44/334916944.db2.gz FOPHZYJTFBEJNT-AWEZNQCLSA-N 1 1 300.450 4.007 10 0 DIAEMO COc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)c(F)c1 ZINC000193002948 336286971 /nfs/dbraw/zinc/28/69/71/336286971.db2.gz UCOTUGVBPMJBER-PXAZEXFGSA-N 1 1 301.361 4.009 10 0 DIAEMO Cc1ccc([C@@](C)(O)CNc2cc[nH+]c3ccc(Cl)cc23)o1 ZINC000301429745 336306220 /nfs/dbraw/zinc/30/62/20/336306220.db2.gz PZJVQUJKLILMMQ-KRWDZBQOSA-N 1 1 316.788 4.109 10 0 DIAEMO C[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1ccc(-c2cncnc2)cc1 ZINC000301851054 336334198 /nfs/dbraw/zinc/33/41/98/336334198.db2.gz BCCPYQKQZQBTLP-CYBMUJFWSA-N 1 1 315.380 4.193 10 0 DIAEMO C[C@H](Nc1[nH]c2ccccc2[nH+]1)c1ccc(-c2cncnc2)cc1 ZINC000301851055 336334225 /nfs/dbraw/zinc/33/42/25/336334225.db2.gz BCCPYQKQZQBTLP-ZDUSSCGKSA-N 1 1 315.380 4.193 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1coc2ccccc12 ZINC000122747223 337023284 /nfs/dbraw/zinc/02/32/84/337023284.db2.gz PSZYGYYECOSSDT-QGZVFWFLSA-N 1 1 309.413 4.120 10 0 DIAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000171524062 337087786 /nfs/dbraw/zinc/08/77/86/337087786.db2.gz BPEMAMSPRRFZOH-INIZCTEOSA-N 1 1 315.486 4.005 10 0 DIAEMO c1csc([C@@H]2c3ccsc3CC[N@@H+]2Cc2cc[nH]c2)c1 ZINC000179756539 337171720 /nfs/dbraw/zinc/17/17/20/337171720.db2.gz VVCMJQMAICMTKZ-INIZCTEOSA-N 1 1 300.452 4.285 10 0 DIAEMO c1cc2c(o1)CCC[C@H]2[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000182541181 337188909 /nfs/dbraw/zinc/18/89/09/337188909.db2.gz PCJOHGLVHMKHAS-UYAOXDASSA-N 1 1 304.393 4.431 10 0 DIAEMO Cc1csc(C2CC[NH+](Cc3ncc(C(C)C)s3)CC2)n1 ZINC000183032655 337191062 /nfs/dbraw/zinc/19/10/62/337191062.db2.gz NIKKBKBDHWPALW-UHFFFAOYSA-N 1 1 321.515 4.411 10 0 DIAEMO Fc1ccc(/C=C/C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000185865795 337252021 /nfs/dbraw/zinc/25/20/21/337252021.db2.gz NDIRXYSELAAHRI-SNAWJCMRSA-N 1 1 319.383 4.086 10 0 DIAEMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3ccc(F)nc3)C2)n1 ZINC000189387206 337279142 /nfs/dbraw/zinc/27/91/42/337279142.db2.gz FRPMHZOEGDMESC-AWEZNQCLSA-N 1 1 319.449 4.180 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@H+]2CCCCC(=O)OC(C)(C)C)cs1 ZINC000189808386 337283157 /nfs/dbraw/zinc/28/31/57/337283157.db2.gz MNFXIIQHXZLHGE-HNNXBMFYSA-N 1 1 324.490 4.100 10 0 DIAEMO Fc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]3c3ccco3)o2)cc1 ZINC000116290661 337392428 /nfs/dbraw/zinc/39/24/28/337392428.db2.gz DSIXELNGNXMGAM-HNNXBMFYSA-N 1 1 312.344 4.411 10 0 DIAEMO Fc1ccc(-c2cnc(C[N@H+]3CCC[C@H]3c3ccco3)o2)cc1 ZINC000116290661 337392429 /nfs/dbraw/zinc/39/24/29/337392429.db2.gz DSIXELNGNXMGAM-HNNXBMFYSA-N 1 1 312.344 4.411 10 0 DIAEMO O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)Nc1ccccc1Cl ZINC000116289567 337392478 /nfs/dbraw/zinc/39/24/78/337392478.db2.gz PNMRAVUVWRQSTK-OAHLLOKOSA-N 1 1 318.804 4.099 10 0 DIAEMO CC[N@H+]1CCC[C@@H](N[C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000300410283 340225270 /nfs/dbraw/zinc/22/52/70/340225270.db2.gz GLBLNIZVKGNTOZ-NXEZZACHSA-N 1 1 307.290 4.190 10 0 DIAEMO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000300410283 340225271 /nfs/dbraw/zinc/22/52/71/340225271.db2.gz GLBLNIZVKGNTOZ-NXEZZACHSA-N 1 1 307.290 4.190 10 0 DIAEMO CC(C)c1nc(C2([NH2+]CCCc3ccccc3)CCCC2)no1 ZINC000174239550 340384588 /nfs/dbraw/zinc/38/45/88/340384588.db2.gz UDMNZGHADAZHMJ-UHFFFAOYSA-N 1 1 313.445 4.185 10 0 DIAEMO CC(C)[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccccc1Cl ZINC000186552741 340514249 /nfs/dbraw/zinc/51/42/49/340514249.db2.gz ZCMOKDTZIMDTIB-RDJZCZTQSA-N 1 1 307.821 4.343 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1ccc(F)c(Cl)c1 ZINC000247223621 341362429 /nfs/dbraw/zinc/36/24/29/341362429.db2.gz YTEKQOUJSIHFIV-IUODEOHRSA-N 1 1 321.827 4.210 10 0 DIAEMO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000183097820 519544348 /nfs/dbraw/zinc/54/43/48/519544348.db2.gz IKWMUQLCOQGCJS-HNNXBMFYSA-N 1 1 314.477 4.082 10 0 DIAEMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000131523260 519857416 /nfs/dbraw/zinc/85/74/16/519857416.db2.gz URFQXEVKCYYGMN-HNNXBMFYSA-N 1 1 301.459 4.041 10 0 DIAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000106213347 522593920 /nfs/dbraw/zinc/59/39/20/522593920.db2.gz IUENWRXYZXMLIX-IEBWSBKVSA-N 1 1 309.457 4.160 10 0 DIAEMO CCn1c(C)nnc1C[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000181940282 523155939 /nfs/dbraw/zinc/15/59/39/523155939.db2.gz FBVLOQGREFEOBC-GOSISDBHSA-N 1 1 312.461 4.018 10 0 DIAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3csc(C(C)C)n3)C2)n1 ZINC000156962214 526422090 /nfs/dbraw/zinc/42/20/90/526422090.db2.gz VPSCFEZWTFJOOW-CYBMUJFWSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3csc(C(C)C)n3)C2)n1 ZINC000156962214 526422097 /nfs/dbraw/zinc/42/20/97/526422097.db2.gz VPSCFEZWTFJOOW-CYBMUJFWSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1noc(C)c1C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131250894 526515928 /nfs/dbraw/zinc/51/59/28/526515928.db2.gz LKKYTQXWKJJILF-KRWDZBQOSA-N 1 1 312.413 4.218 10 0 DIAEMO Cn1c(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)nnc1C1CC1 ZINC000181939836 527062850 /nfs/dbraw/zinc/06/28/50/527062850.db2.gz LWBJUPWEFXKTHZ-SFHVURJKSA-N 1 1 324.472 4.104 10 0 DIAEMO CCn1nc(C)c(C[N@H+](CC)Cc2ccc3ccccc3n2)c1C ZINC000063833737 563485088 /nfs/dbraw/zinc/48/50/88/563485088.db2.gz ZOVSRHUUZJVKMM-UHFFFAOYSA-N 1 1 322.456 4.090 10 0 DIAEMO CCn1nc(C)c(C[N@@H+](CC)Cc2ccc3ccccc3n2)c1C ZINC000063833737 563485094 /nfs/dbraw/zinc/48/50/94/563485094.db2.gz ZOVSRHUUZJVKMM-UHFFFAOYSA-N 1 1 322.456 4.090 10 0 DIAEMO Cc1cc(-c2nnc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)o2)c(C)o1 ZINC000407951727 1041298755 /nfs/dbraw/zinc/29/87/55/1041298755.db2.gz GPDUZBDZJMDWTL-GOEBONIOSA-N 1 1 315.417 4.101 10 0 DIAEMO CC[C@@H](N[C@@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(C)cc1 ZINC000162485165 1042127923 /nfs/dbraw/zinc/12/79/23/1042127923.db2.gz SNLHXLKXBXIIAV-RTBURBONSA-N 1 1 320.440 4.252 10 0 DIAEMO Cc1nc([C@@H](N[C@H](C)c2cccc(C)c2C)c2ccccc2)n[nH]1 ZINC000162494184 1042128036 /nfs/dbraw/zinc/12/80/36/1042128036.db2.gz WKZOVHZQNXWHAW-BEFAXECRSA-N 1 1 320.440 4.170 10 0 DIAEMO c1csc([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000124286157 1046455261 /nfs/dbraw/zinc/45/52/61/1046455261.db2.gz YRHJJMJYETUNRW-HNNXBMFYSA-N 1 1 309.438 4.071 10 0 DIAEMO FC(F)Oc1ccccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195340814 1046595074 /nfs/dbraw/zinc/59/50/74/1046595074.db2.gz ORVJDMDNXTXHOK-ZDUSSCGKSA-N 1 1 324.396 4.124 10 0 DIAEMO c1csc([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n1 ZINC000195351257 1046596899 /nfs/dbraw/zinc/59/68/99/1046596899.db2.gz JKSPEAMHDOQGHZ-LBPRGKRZSA-N 1 1 315.467 4.132 10 0 DIAEMO C[C@H]1[N@H+](CC(=O)c2ccccc2)CCC[C@@]1(C)c1cccc(O)c1 ZINC000005736133 181278578 /nfs/dbraw/zinc/27/85/78/181278578.db2.gz XMSWGYQEWPUOKA-IIBYNOLFSA-N 1 1 323.436 4.017 10 0 in-man DIAEMO C[C@H]1[N@@H+](CC(=O)c2ccccc2)CCC[C@@]1(C)c1cccc(O)c1 ZINC000005736133 181278580 /nfs/dbraw/zinc/27/85/80/181278580.db2.gz XMSWGYQEWPUOKA-IIBYNOLFSA-N 1 1 323.436 4.017 10 0 in-man DIAEMO Clc1ccc2sc([C@H]3Cc4ccccc4C[NH2+]3)nc2c1 ZINC000019979759 182172991 /nfs/dbraw/zinc/17/29/91/182172991.db2.gz SBTPMJVPYQENDM-CQSZACIVSA-N 1 1 300.814 4.337 10 0 DIAEMO CCN(CC)CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876078 182251614 /nfs/dbraw/zinc/25/16/14/182251614.db2.gz XINILFOZEFQQPK-UHFFFAOYSA-N 1 1 306.837 4.031 10 0 DIAEMO CCCCC[N@@H+](Cc1c(N)cccc1Br)C(C)C ZINC000042553691 183284293 /nfs/dbraw/zinc/28/42/93/183284293.db2.gz QBTGWZRWBYDOMP-UHFFFAOYSA-N 1 1 313.283 4.432 10 0 DIAEMO CC(C)[N@@H+](CC1CC1)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000042580211 183287133 /nfs/dbraw/zinc/28/71/33/183287133.db2.gz HCEGWOFJALAJRF-HNNXBMFYSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)N(CC1CC1)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042580211 183287134 /nfs/dbraw/zinc/28/71/34/183287134.db2.gz HCEGWOFJALAJRF-HNNXBMFYSA-N 1 1 301.261 4.114 10 0 DIAEMO CCCC[N@@H+](Cc1c(N)cccc1Br)[C@@H](C)CC ZINC000042600574 183290270 /nfs/dbraw/zinc/29/02/70/183290270.db2.gz IMYMFRZHEHUJKI-LBPRGKRZSA-N 1 1 313.283 4.432 10 0 DIAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)c1ccccc1Br ZINC000042609035 183290505 /nfs/dbraw/zinc/29/05/05/183290505.db2.gz WMNICZZANRAMMY-IUODEOHRSA-N 1 1 324.262 4.142 10 0 DIAEMO C[C@H]([N@H+](C)CC(=O)c1ccc(Br)s1)C(C)(C)C ZINC000042773617 183307324 /nfs/dbraw/zinc/30/73/24/183307324.db2.gz UCGARGMNZUQFRT-VIFPVBQESA-N 1 1 318.280 4.060 10 0 DIAEMO C[C@H]([N@@H+](C)CC(=O)c1ccc(Br)s1)C(C)(C)C ZINC000042773617 183307327 /nfs/dbraw/zinc/30/73/27/183307327.db2.gz UCGARGMNZUQFRT-VIFPVBQESA-N 1 1 318.280 4.060 10 0 DIAEMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000065410293 184339941 /nfs/dbraw/zinc/33/99/41/184339941.db2.gz HBTPKNDCASKCIC-SFHVURJKSA-N 1 1 307.397 4.177 10 0 DIAEMO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1cncc(F)c1 ZINC000130881687 332026546 /nfs/dbraw/zinc/02/65/46/332026546.db2.gz LQYGRNRCBCUBCQ-GHMZBOCLSA-N 1 1 323.209 4.395 10 0 DIAEMO Cn1nccc1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000092810351 332131408 /nfs/dbraw/zinc/13/14/08/332131408.db2.gz PYAOOTZDEWHLCF-UHFFFAOYSA-N 1 1 324.255 4.107 10 0 DIAEMO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)c(Cl)c1OC ZINC000106366745 332997522 /nfs/dbraw/zinc/99/75/22/332997522.db2.gz LBFRVVWJTUMSTR-NSHDSACASA-N 1 1 309.793 4.109 10 0 DIAEMO C[C@@H]([NH2+][C@H](C)c1ncc(Br)s1)c1cccs1 ZINC000179191737 333024462 /nfs/dbraw/zinc/02/44/62/333024462.db2.gz SVQORUNLIREDKK-HTQZYQBOSA-N 1 1 317.277 4.379 10 0 DIAEMO CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000180023917 333026448 /nfs/dbraw/zinc/02/64/48/333026448.db2.gz WPTVDKBZPYAGPW-MOPGFXCFSA-N 1 1 300.421 4.169 10 0 DIAEMO COC(=O)c1sccc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000181413585 333030297 /nfs/dbraw/zinc/03/02/97/333030297.db2.gz OLLVREFFNCRMQO-JTQLQIEISA-N 1 1 309.818 4.039 10 0 DIAEMO Fc1cccc(CCC[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000182726128 333086260 /nfs/dbraw/zinc/08/62/60/333086260.db2.gz HMWADVWDBLWLPR-MRXNPFEDSA-N 1 1 304.434 4.442 10 0 DIAEMO CC[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cc1 ZINC000120424442 333282371 /nfs/dbraw/zinc/28/23/71/333282371.db2.gz WVGADKZNMNYSFF-RBUKOAKNSA-N 1 1 300.421 4.169 10 0 DIAEMO CC[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(OC)cc1 ZINC000120430207 333282378 /nfs/dbraw/zinc/28/23/78/333282378.db2.gz SRDZJWZGNZSSJE-WOJBJXKFSA-N 1 1 312.457 4.039 10 0 DIAEMO Fc1ccc(CC[N@@H+]2CCCC[C@@H]2c2nccs2)cc1F ZINC000152007645 333397366 /nfs/dbraw/zinc/39/73/66/333397366.db2.gz RRDQJWFRRRTVQJ-OAHLLOKOSA-N 1 1 308.397 4.191 10 0 DIAEMO Fc1ccc(CC[N@H+]2CCCC[C@@H]2c2nccs2)cc1F ZINC000152007645 333397368 /nfs/dbraw/zinc/39/73/68/333397368.db2.gz RRDQJWFRRRTVQJ-OAHLLOKOSA-N 1 1 308.397 4.191 10 0 DIAEMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2F)o1 ZINC000394911304 334334069 /nfs/dbraw/zinc/33/40/69/334334069.db2.gz OIKLVNQEGAKGRC-JTQLQIEISA-N 1 1 312.182 4.340 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000192725037 336259318 /nfs/dbraw/zinc/25/93/18/336259318.db2.gz XHXSEUUXOQDBJC-NEPJUHHUSA-N 1 1 315.367 4.263 10 0 DIAEMO CCc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)cc1 ZINC000192852686 336272095 /nfs/dbraw/zinc/27/20/95/336272095.db2.gz SBUXEFUFAGFCBL-AWEZNQCLSA-N 1 1 307.397 4.150 10 0 DIAEMO COc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)c(F)c1 ZINC000193002911 336286952 /nfs/dbraw/zinc/28/69/52/336286952.db2.gz UCOTUGVBPMJBER-YVEFUNNKSA-N 1 1 301.361 4.009 10 0 DIAEMO CO[C@H](C)c1nc(CN(C)c2cc[nH+]c3ccsc32)cs1 ZINC000301573046 336315764 /nfs/dbraw/zinc/31/57/64/336315764.db2.gz RULZMUNFBCAOAP-SNVBAGLBSA-N 1 1 319.455 4.097 10 0 DIAEMO CCc1cc(NCc2ccnc(SC(C)(C)C)c2)nc(C)[nH+]1 ZINC000302115057 336349249 /nfs/dbraw/zinc/34/92/49/336349249.db2.gz VRUUOKSAMYGNDN-UHFFFAOYSA-N 1 1 316.474 4.245 10 0 DIAEMO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccccc1Br ZINC000034992194 336384908 /nfs/dbraw/zinc/38/49/08/336384908.db2.gz ILXLMLWPWKZXMX-NSHDSACASA-N 1 1 306.203 4.006 10 0 DIAEMO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1 ZINC000173452809 337135274 /nfs/dbraw/zinc/13/52/74/337135274.db2.gz MCTRPMIGZNMEEC-DOMZBBRYSA-N 1 1 318.852 4.070 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000177713207 337158706 /nfs/dbraw/zinc/15/87/06/337158706.db2.gz VUVMFZFZGHMSNP-QZTJIDSGSA-N 1 1 313.420 4.000 10 0 DIAEMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cncc(F)c1 ZINC000178612239 337165465 /nfs/dbraw/zinc/16/54/65/337165465.db2.gz CEXFBSIZKCHGKP-KUHUBIRLSA-N 1 1 307.372 4.056 10 0 DIAEMO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cncc(F)c1 ZINC000178612225 337165502 /nfs/dbraw/zinc/16/55/02/337165502.db2.gz CEXFBSIZKCHGKP-LIRRHRJNSA-N 1 1 307.372 4.056 10 0 DIAEMO CC(C)n1cc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)cn1 ZINC000178613805 337165555 /nfs/dbraw/zinc/16/55/55/337165555.db2.gz NRXMMONPOWEYRC-OXJNMPFZSA-N 1 1 320.440 4.299 10 0 DIAEMO CC(C)n1cc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)cn1 ZINC000178613793 337165623 /nfs/dbraw/zinc/16/56/23/337165623.db2.gz NRXMMONPOWEYRC-OXQOHEQNSA-N 1 1 320.440 4.299 10 0 DIAEMO COCc1cccc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000179206018 337168183 /nfs/dbraw/zinc/16/81/83/337168183.db2.gz DPDCHYOJPOBODX-INIZCTEOSA-N 1 1 302.443 4.017 10 0 DIAEMO COCc1cccc(C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000179206018 337168184 /nfs/dbraw/zinc/16/81/84/337168184.db2.gz DPDCHYOJPOBODX-INIZCTEOSA-N 1 1 302.443 4.017 10 0 DIAEMO FC(F)c1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000183932961 337195608 /nfs/dbraw/zinc/19/56/08/337195608.db2.gz XPRZNIZQRCKPHF-AWEZNQCLSA-N 1 1 308.397 4.460 10 0 DIAEMO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(Cl)(Cl)Cl)n1 ZINC000184623840 337199514 /nfs/dbraw/zinc/19/95/14/337199514.db2.gz FFIPYYNHVRAJGP-LBPRGKRZSA-N 1 1 307.652 4.287 10 0 DIAEMO Cc1cccc([C@@H]2CCC[N@H+]2CCC(Cl)(Cl)Cl)n1 ZINC000184623840 337199515 /nfs/dbraw/zinc/19/95/15/337199515.db2.gz FFIPYYNHVRAJGP-LBPRGKRZSA-N 1 1 307.652 4.287 10 0 DIAEMO c1ccc(-c2cnc(C[NH2+][C@@H](c3ccccc3)C3CC3)nc2)cc1 ZINC000186048350 337253074 /nfs/dbraw/zinc/25/30/74/337253074.db2.gz JVCWTLDWOJIGGR-NRFANRHFSA-N 1 1 315.420 4.385 10 0 DIAEMO Cc1ccc([C@H](C)[NH2+]Cc2nccn2-c2ccccc2)cc1F ZINC000191310179 337295897 /nfs/dbraw/zinc/29/58/97/337295897.db2.gz HRSRAPDQSCKXCR-HNNXBMFYSA-N 1 1 309.388 4.171 10 0 DIAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)o1 ZINC000192607799 337306678 /nfs/dbraw/zinc/30/66/78/337306678.db2.gz VFMPIZKWSIJANJ-GHMZBOCLSA-N 1 1 324.783 4.058 10 0 DIAEMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298498 337392445 /nfs/dbraw/zinc/39/24/45/337392445.db2.gz CLUBHVMFLPGNCW-DZGCQCFKSA-N 1 1 309.369 4.228 10 0 DIAEMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116298498 337392446 /nfs/dbraw/zinc/39/24/46/337392446.db2.gz CLUBHVMFLPGNCW-DZGCQCFKSA-N 1 1 309.369 4.228 10 0 DIAEMO Cc1ccccc1[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccccc1 ZINC000186528721 340513997 /nfs/dbraw/zinc/51/39/97/340513997.db2.gz WCZMDTZTLSLYMD-PZJWPPBQSA-N 1 1 321.420 4.391 10 0 DIAEMO C[C@@H](CCSc1ccccc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245698667 341310448 /nfs/dbraw/zinc/31/04/48/341310448.db2.gz SYNFAGMCSKEBEJ-YJBOKZPZSA-N 1 1 315.486 4.128 10 0 DIAEMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247223998 341362323 /nfs/dbraw/zinc/36/23/23/341362323.db2.gz XXNBLVZAYWAANJ-ROUUACIJSA-N 1 1 315.436 4.464 10 0 DIAEMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247582161 341367728 /nfs/dbraw/zinc/36/77/28/341367728.db2.gz YTPQZYRDOKRCKS-HNAYVOBHSA-N 1 1 305.425 4.124 10 0 DIAEMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247705200 341369280 /nfs/dbraw/zinc/36/92/80/341369280.db2.gz YTTKVFDGLUQZIH-YWZLYKJASA-N 1 1 305.425 4.471 10 0 DIAEMO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@H](C)Cc2ccccc2)no1 ZINC000248613580 341381536 /nfs/dbraw/zinc/38/15/36/341381536.db2.gz YGXWWQIJDREFOZ-NVXWUHKLSA-N 1 1 313.445 4.209 10 0 DIAEMO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@H](C)Cc2ccccc2)no1 ZINC000248613580 341381537 /nfs/dbraw/zinc/38/15/37/341381537.db2.gz YGXWWQIJDREFOZ-NVXWUHKLSA-N 1 1 313.445 4.209 10 0 DIAEMO CC(C)c1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181437306 519839160 /nfs/dbraw/zinc/83/91/60/519839160.db2.gz UGYJMOVFZKYAAV-CQSZACIVSA-N 1 1 324.472 4.465 10 0 DIAEMO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000183128507 520414392 /nfs/dbraw/zinc/41/43/92/520414392.db2.gz FOTSNNJJTRHPQE-KRWDZBQOSA-N 1 1 323.396 4.133 10 0 DIAEMO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000183128523 520416436 /nfs/dbraw/zinc/41/64/36/520416436.db2.gz FOTSNNJJTRHPQE-QGZVFWFLSA-N 1 1 323.396 4.133 10 0 DIAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000106212205 522592835 /nfs/dbraw/zinc/59/28/35/522592835.db2.gz FTNFZCFUKNTNJD-DZGCQCFKSA-N 1 1 319.399 4.122 10 0 DIAEMO C[C@H]([NH2+]Cc1cnc(Cl)s1)c1ccc(F)c(Cl)c1 ZINC000180744586 525478585 /nfs/dbraw/zinc/47/85/85/525478585.db2.gz PNUHIXKJRIRYHP-ZETCQYMHSA-N 1 1 305.205 4.440 10 0 DIAEMO Cc1cncc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)c1 ZINC000189900372 526193473 /nfs/dbraw/zinc/19/34/73/526193473.db2.gz AGYXPTNGESIMLF-INIZCTEOSA-N 1 1 315.486 4.350 10 0 DIAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)n1 ZINC000156982409 526421908 /nfs/dbraw/zinc/42/19/08/526421908.db2.gz BJSFOIUXBSOJSP-GFCCVEGCSA-N 1 1 308.397 4.109 10 0 DIAEMO Cc1nc(C[N@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)oc1C ZINC000127720569 526861131 /nfs/dbraw/zinc/86/11/31/526861131.db2.gz PPSZWMRNFGQWEL-AWEZNQCLSA-N 1 1 319.474 4.251 10 0 DIAEMO Cc1nc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)oc1C ZINC000127720569 526861136 /nfs/dbraw/zinc/86/11/36/526861136.db2.gz PPSZWMRNFGQWEL-AWEZNQCLSA-N 1 1 319.474 4.251 10 0 DIAEMO Cc1nc(C[N@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)cs1 ZINC000127781721 526861343 /nfs/dbraw/zinc/86/13/43/526861343.db2.gz SHNKJYPPIOWGDW-ZDUSSCGKSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1nc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)cs1 ZINC000127781721 526861347 /nfs/dbraw/zinc/86/13/47/526861347.db2.gz SHNKJYPPIOWGDW-ZDUSSCGKSA-N 1 1 321.515 4.411 10 0 DIAEMO CC[C@@H](C)[N@@H+](Cc1ccncc1)Cc1ccnc2ccccc12 ZINC000055413161 563475450 /nfs/dbraw/zinc/47/54/50/563475450.db2.gz QQNZGOFOUMPMAW-MRXNPFEDSA-N 1 1 305.425 4.431 10 0 DIAEMO C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1Br ZINC000669378529 563869503 /nfs/dbraw/zinc/86/95/03/563869503.db2.gz FMGPUUGIGQDERP-JTQLQIEISA-N 1 1 302.643 4.477 10 0 DIAEMO C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1Br ZINC000669378529 563869502 /nfs/dbraw/zinc/86/95/02/563869502.db2.gz FMGPUUGIGQDERP-JTQLQIEISA-N 1 1 302.643 4.477 10 0 DIAEMO Cc1nc([C@H](N[C@@H](C)c2cccc(C)c2C)c2ccccc2)n[nH]1 ZINC000162494558 1042127977 /nfs/dbraw/zinc/12/79/77/1042127977.db2.gz WKZOVHZQNXWHAW-HNAYVOBHSA-N 1 1 320.440 4.170 10 0 DIAEMO Cc1nc([C@H](N[C@@H](C)c2ccc(C)cc2C)c2ccccc2)n[nH]1 ZINC000162585304 1042129612 /nfs/dbraw/zinc/12/96/12/1042129612.db2.gz BIRDIWJWSLKHSM-HNAYVOBHSA-N 1 1 320.440 4.170 10 0 DIAEMO COc1ccc(Cl)cc1[C@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000077069986 185093046 /nfs/dbraw/zinc/09/30/46/185093046.db2.gz HWKSZUYGQDNDMU-KRWDZBQOSA-N 1 1 301.773 4.451 10 0 DIAEMO Nc1nc2cc(C[NH+]3CCCCC3)ccc2n1C1CCCCC1 ZINC000079062381 185152229 /nfs/dbraw/zinc/15/22/29/185152229.db2.gz MWAXQRIPOXKQAZ-UHFFFAOYSA-N 1 1 312.461 4.110 10 0 DIAEMO CCCCc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1 ZINC000090223210 185287197 /nfs/dbraw/zinc/28/71/97/185287197.db2.gz WHJYXRNWQGAXOS-KSSFIOAISA-N 1 1 312.461 4.115 10 0 DIAEMO CCOc1ccc2[nH+]ccc(Nc3cccc(C(=O)OC)c3)c2c1 ZINC000072237225 191080573 /nfs/dbraw/zinc/08/05/73/191080573.db2.gz IXAAXIDYGWCNTD-UHFFFAOYSA-N 1 1 322.364 4.164 10 0 DIAEMO C[C@H]1CCCC[N@H+]1CCCOc1ccccc1Br ZINC000006183680 181317631 /nfs/dbraw/zinc/31/76/31/181317631.db2.gz KEJXBVBYHRBEQA-ZDUSSCGKSA-N 1 1 312.251 4.092 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccc(F)cn1 ZINC000092195727 193172309 /nfs/dbraw/zinc/17/23/09/193172309.db2.gz PBTKWTFKBZMOBD-WDEREUQCSA-N 1 1 323.209 4.395 10 0 DIAEMO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1nc2c(s1)CCCC2 ZINC000093369655 193239339 /nfs/dbraw/zinc/23/93/39/193239339.db2.gz APNWRKBNYHDVTB-TZMCWYRMSA-N 1 1 314.454 4.196 10 0 DIAEMO [NH3+][C@H](c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000019482521 182125341 /nfs/dbraw/zinc/12/53/41/182125341.db2.gz GHCQYFCKFJNSFZ-HNNXBMFYSA-N 1 1 302.171 4.243 10 0 DIAEMO C[N@@H+]([C@H](CN)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020557282 182231320 /nfs/dbraw/zinc/23/13/20/182231320.db2.gz IXWPOJADPAFTMV-OAHLLOKOSA-N 1 1 301.261 4.258 10 0 DIAEMO CN([C@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020557282 182231323 /nfs/dbraw/zinc/23/13/23/182231323.db2.gz IXWPOJADPAFTMV-OAHLLOKOSA-N 1 1 301.261 4.258 10 0 DIAEMO Cc1ccc(COc2ccccc2C[NH2+]Cc2ccco2)cc1 ZINC000020873677 182250913 /nfs/dbraw/zinc/25/09/13/182250913.db2.gz FUCGDDZQGKRXQA-UHFFFAOYSA-N 1 1 307.393 4.457 10 0 DIAEMO Cc1cc(Br)ccc1N1Cc2ccccc2C1=[NH2+] ZINC000021819026 182293496 /nfs/dbraw/zinc/29/34/96/182293496.db2.gz FNOFCSMPFWXOJY-UHFFFAOYSA-N 1 1 301.187 4.103 10 0 DIAEMO CC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000037914634 182936610 /nfs/dbraw/zinc/93/66/10/182936610.db2.gz NHPDEYWTUZXMOS-JQWIXIFHSA-N 1 1 300.229 4.439 10 0 DIAEMO CC[C@H]1CCC[N@H+]1[C@@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000037914634 182936612 /nfs/dbraw/zinc/93/66/12/182936612.db2.gz NHPDEYWTUZXMOS-JQWIXIFHSA-N 1 1 300.229 4.439 10 0 DIAEMO CCOC(=O)c1ccc(Nc2cc[nH+]c3c(C)cccc23)cc1 ZINC000041055116 183159591 /nfs/dbraw/zinc/15/95/91/183159591.db2.gz CQFDULPMLIEDBG-UHFFFAOYSA-N 1 1 306.365 4.464 10 0 DIAEMO CC(C)[N@@H+](CC1CC1)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000042580098 183287232 /nfs/dbraw/zinc/28/72/32/183287232.db2.gz XLCKJAAFARBXDF-HNNXBMFYSA-N 1 1 301.261 4.114 10 0 DIAEMO CC(C)N(CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042580098 183287235 /nfs/dbraw/zinc/28/72/35/183287235.db2.gz XLCKJAAFARBXDF-HNNXBMFYSA-N 1 1 301.261 4.114 10 0 DIAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)c1ccccc1Br ZINC000042609033 183290176 /nfs/dbraw/zinc/29/01/76/183290176.db2.gz WMNICZZANRAMMY-DOMZBBRYSA-N 1 1 324.262 4.142 10 0 DIAEMO Cc1cccnc1C[C@@H](C)[N@@H+](C)Cc1ccnc2ccccc12 ZINC000065468308 184351015 /nfs/dbraw/zinc/35/10/15/184351015.db2.gz JZVYMOXVSGXGQI-MRXNPFEDSA-N 1 1 305.425 4.001 10 0 DIAEMO CC[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000180023929 333026594 /nfs/dbraw/zinc/02/65/94/333026594.db2.gz WPTVDKBZPYAGPW-RBUKOAKNSA-N 1 1 300.421 4.169 10 0 DIAEMO Fc1cccc(CCC[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000182726149 333086120 /nfs/dbraw/zinc/08/61/20/333086120.db2.gz HMWADVWDBLWLPR-INIZCTEOSA-N 1 1 304.434 4.442 10 0 DIAEMO c1cc2c(nc[nH+]c2N[C@@H]2CC3(CCCC3)Oc3ccccc32)[nH]1 ZINC000330158305 336119154 /nfs/dbraw/zinc/11/91/54/336119154.db2.gz PXXWGTXGKUPEDO-OAHLLOKOSA-N 1 1 320.396 4.206 10 0 DIAEMO Cc1cccc2c(NCc3ccc(CN(C)C)c(F)c3)cc[nH+]c12 ZINC000301866712 336335048 /nfs/dbraw/zinc/33/50/48/336335048.db2.gz HHWPJNHPASEQOV-UHFFFAOYSA-N 1 1 323.415 4.356 10 0 DIAEMO CC(C)c1nc2c(n1C)CC[N@@H+](CC[C@@H](C)c1ccccc1)C2 ZINC000193921672 337080640 /nfs/dbraw/zinc/08/06/40/337080640.db2.gz OXBIHMMMWLBAJO-MRXNPFEDSA-N 1 1 311.473 4.095 10 0 DIAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000171524059 337087740 /nfs/dbraw/zinc/08/77/40/337087740.db2.gz BPEMAMSPRRFZOH-MRXNPFEDSA-N 1 1 315.486 4.005 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc2ccccc2c1 ZINC000173631205 337136921 /nfs/dbraw/zinc/13/69/21/337136921.db2.gz JPZMHJJOFJEMDV-CABCVRRESA-N 1 1 320.440 4.179 10 0 DIAEMO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1nnc2n1CCCC2 ZINC000173631198 337136935 /nfs/dbraw/zinc/13/69/35/337136935.db2.gz JPZMHJJOFJEMDV-GJZGRUSLSA-N 1 1 320.440 4.179 10 0 DIAEMO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1nnc2n1CCCC2 ZINC000173625510 337136977 /nfs/dbraw/zinc/13/69/77/337136977.db2.gz GDMFNUNJERRVMZ-HUUCEWRRSA-N 1 1 320.440 4.179 10 0 DIAEMO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1nnc2n1CCCC2 ZINC000173625466 337137021 /nfs/dbraw/zinc/13/70/21/337137021.db2.gz GDMFNUNJERRVMZ-GJZGRUSLSA-N 1 1 320.440 4.179 10 0 DIAEMO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(Cl)cc1 ZINC000173632295 337137052 /nfs/dbraw/zinc/13/70/52/337137052.db2.gz FTZSRXGGVHSTEO-IUODEOHRSA-N 1 1 318.852 4.070 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(Cl)c1 ZINC000178323802 337163974 /nfs/dbraw/zinc/16/39/74/337163974.db2.gz LIWPSDIXXSEABO-GUYCJALGSA-N 1 1 303.837 4.071 10 0 DIAEMO Cc1ncc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)s1 ZINC000179142425 337168146 /nfs/dbraw/zinc/16/81/46/337168146.db2.gz YAILFHJAKBPVLF-SCLBCKFNSA-N 1 1 309.438 4.287 10 0 DIAEMO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000182541201 337188884 /nfs/dbraw/zinc/18/88/84/337188884.db2.gz PCJOHGLVHMKHAS-ICSRJNTNSA-N 1 1 304.393 4.431 10 0 DIAEMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccc(O)c1 ZINC000183795298 337193579 /nfs/dbraw/zinc/19/35/79/337193579.db2.gz CYXHUTXFMSRTOU-QRWLVFNGSA-N 1 1 304.393 4.227 10 0 DIAEMO CCCO[C@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)CC1 ZINC000184540786 337198359 /nfs/dbraw/zinc/19/83/59/337198359.db2.gz VGAREHJNSKVGHF-NSHDSACASA-N 1 1 302.673 4.028 10 0 DIAEMO CCCO[C@@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)CC1 ZINC000184540771 337198468 /nfs/dbraw/zinc/19/84/68/337198468.db2.gz VGAREHJNSKVGHF-LLVKDONJSA-N 1 1 302.673 4.028 10 0 DIAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3ccc(C)nc3C)C2)n1 ZINC000186910393 337260375 /nfs/dbraw/zinc/26/03/75/337260375.db2.gz ZNCPGYONEMLEFI-INIZCTEOSA-N 1 1 315.486 4.097 10 0 DIAEMO CC[N@H+]1CCC[C@H](N[C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000300410284 337268913 /nfs/dbraw/zinc/26/89/13/337268913.db2.gz GLBLNIZVKGNTOZ-ZJUUUORDSA-N 1 1 307.290 4.190 10 0 DIAEMO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000300410284 337268914 /nfs/dbraw/zinc/26/89/14/337268914.db2.gz GLBLNIZVKGNTOZ-ZJUUUORDSA-N 1 1 307.290 4.190 10 0 DIAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)o1 ZINC000192607815 337306697 /nfs/dbraw/zinc/30/66/97/337306697.db2.gz VFMPIZKWSIJANJ-WDEREUQCSA-N 1 1 324.783 4.058 10 0 DIAEMO CO[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000584595429 337373892 /nfs/dbraw/zinc/37/38/92/337373892.db2.gz QOZRQRKCUWMQIY-KRWDZBQOSA-N 1 1 323.358 4.266 10 0 DIAEMO CO[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000584595432 337373937 /nfs/dbraw/zinc/37/39/37/337373937.db2.gz QOZRQRKCUWMQIY-QGZVFWFLSA-N 1 1 323.358 4.266 10 0 DIAEMO O[C@H](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000584631847 337377045 /nfs/dbraw/zinc/37/70/45/337377045.db2.gz XGKXCFDLESQHRI-YLJYHZDGSA-N 1 1 313.416 4.161 10 0 DIAEMO Clc1cc(C[N@@H+]2CCC[C@H]2c2ccco2)c2c(c1)COCO2 ZINC000116292994 337392616 /nfs/dbraw/zinc/39/26/16/337392616.db2.gz HXNSKAPUKQHTNW-HNNXBMFYSA-N 1 1 319.788 4.137 10 0 DIAEMO Clc1cc(C[N@H+]2CCC[C@H]2c2ccco2)c2c(c1)COCO2 ZINC000116292994 337392617 /nfs/dbraw/zinc/39/26/17/337392617.db2.gz HXNSKAPUKQHTNW-HNNXBMFYSA-N 1 1 319.788 4.137 10 0 DIAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000091377480 337892131 /nfs/dbraw/zinc/89/21/31/337892131.db2.gz MQMCYYJKLKFZEF-CVEARBPZSA-N 1 1 318.852 4.062 10 0 DIAEMO CC1(C)C[C@H]([NH2+]Cc2cc(F)c(F)cc2F)c2ccccc2O1 ZINC000136349573 341257330 /nfs/dbraw/zinc/25/73/30/341257330.db2.gz VZRBBCODTTWVKX-INIZCTEOSA-N 1 1 321.342 4.496 10 0 DIAEMO CCC[C@@H](C[N@H+]1CCO[C@@H](c2nccs2)C1)c1ccccc1 ZINC000245844164 341315849 /nfs/dbraw/zinc/31/58/49/341315849.db2.gz KQLFIAJKPMEPDD-DLBZAZTESA-N 1 1 316.470 4.100 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1ccccc1Cl ZINC000247030324 341360156 /nfs/dbraw/zinc/36/01/56/341360156.db2.gz MHQJIAFGWRNWGN-HIFRSBDPSA-N 1 1 303.837 4.071 10 0 DIAEMO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247493029 341365742 /nfs/dbraw/zinc/36/57/42/341365742.db2.gz LCWSUZSMZIOSPX-ZBEGNZNMSA-N 1 1 307.800 4.111 10 0 DIAEMO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247493029 341365743 /nfs/dbraw/zinc/36/57/43/341365743.db2.gz LCWSUZSMZIOSPX-ZBEGNZNMSA-N 1 1 307.800 4.111 10 0 DIAEMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247703241 341369351 /nfs/dbraw/zinc/36/93/51/341369351.db2.gz YIAFVBCOAIGRPB-LRDDRELGSA-N 1 1 323.362 4.337 10 0 DIAEMO CC[C@@H]([NH2+][C@H](c1nc(C2CC2)no1)C(C)C)c1cccs1 ZINC000089669910 341406815 /nfs/dbraw/zinc/40/68/15/341406815.db2.gz DJPMIHSHOGLLNU-OCCSQVGLSA-N 1 1 305.447 4.447 10 0 DIAEMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000127803257 519857384 /nfs/dbraw/zinc/85/73/84/519857384.db2.gz PXUHFCHXPXBNSZ-HNNXBMFYSA-N 1 1 301.459 4.041 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000127803060 519857458 /nfs/dbraw/zinc/85/74/58/519857458.db2.gz PXUHFCHXPXBNSZ-OAHLLOKOSA-N 1 1 301.459 4.041 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000127689112 519857464 /nfs/dbraw/zinc/85/74/64/519857464.db2.gz WXVYBOXHRQBONH-CQSZACIVSA-N 1 1 301.459 4.041 10 0 DIAEMO COC(=O)c1oc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1C ZINC000181625609 522407827 /nfs/dbraw/zinc/40/78/27/522407827.db2.gz XATKIPAJEJECCM-GHMZBOCLSA-N 1 1 323.339 4.065 10 0 DIAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000106212165 522599986 /nfs/dbraw/zinc/59/99/86/522599986.db2.gz UGNFTLNTSQZOTI-ZFWWWQNUSA-N 1 1 319.399 4.122 10 0 DIAEMO COc1ccnc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)c1OC ZINC000190747956 524835269 /nfs/dbraw/zinc/83/52/69/524835269.db2.gz UDLKABAMDZFPDV-AWEZNQCLSA-N 1 1 314.429 4.073 10 0 DIAEMO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1nc2ccccc2o1 ZINC000182422975 525530933 /nfs/dbraw/zinc/53/09/33/525530933.db2.gz JGYSKDZGMRYPER-STQMWFEESA-N 1 1 324.380 4.011 10 0 DIAEMO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc2ccccc2c1 ZINC000190677184 525549307 /nfs/dbraw/zinc/54/93/07/525549307.db2.gz WAJYUTCYHUMOIJ-CQSZACIVSA-N 1 1 308.429 4.037 10 0 DIAEMO c1csc([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)n1 ZINC000157000322 526587044 /nfs/dbraw/zinc/58/70/44/526587044.db2.gz SAGPSNUOYPCZQL-MRXNPFEDSA-N 1 1 309.438 4.071 10 0 DIAEMO c1csc([C@H]2CCCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000127650697 526588309 /nfs/dbraw/zinc/58/83/09/526588309.db2.gz QUOKDBWNZDZCFP-MRXNPFEDSA-N 1 1 324.453 4.260 10 0 DIAEMO c1csc([C@H]2CCCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000127650697 526588313 /nfs/dbraw/zinc/58/83/13/526588313.db2.gz QUOKDBWNZDZCFP-MRXNPFEDSA-N 1 1 324.453 4.260 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000106211778 527659388 /nfs/dbraw/zinc/65/93/88/527659388.db2.gz WUTZQZJFTLBBPU-INIZCTEOSA-N 1 1 303.837 4.027 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)c1cc(F)ccc1F ZINC000106206062 527660137 /nfs/dbraw/zinc/66/01/37/527660137.db2.gz NDXMUTMHPNQTDP-SJCJKPOMSA-N 1 1 319.399 4.213 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1cc(F)ccc1F ZINC000106206062 527660143 /nfs/dbraw/zinc/66/01/43/527660143.db2.gz NDXMUTMHPNQTDP-SJCJKPOMSA-N 1 1 319.399 4.213 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1c(F)cccc1F ZINC000106211886 527662445 /nfs/dbraw/zinc/66/24/45/527662445.db2.gz ZELVNHHSXWPAFR-XJKSGUPXSA-N 1 1 319.399 4.213 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1c(F)cccc1F ZINC000106211886 527662447 /nfs/dbraw/zinc/66/24/47/527662447.db2.gz ZELVNHHSXWPAFR-XJKSGUPXSA-N 1 1 319.399 4.213 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)cc1F ZINC000106206121 527662687 /nfs/dbraw/zinc/66/26/87/527662687.db2.gz ZDKBESZJNNOOBS-YVEFUNNKSA-N 1 1 319.399 4.213 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1ccc(F)cc1F ZINC000106206121 527662690 /nfs/dbraw/zinc/66/26/90/527662690.db2.gz ZDKBESZJNNOOBS-YVEFUNNKSA-N 1 1 319.399 4.213 10 0 DIAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685953300 563961327 /nfs/dbraw/zinc/96/13/27/563961327.db2.gz VSMKLPRTMJFQHL-FCEWJHQRSA-N 1 1 324.509 4.144 10 0 DIAEMO CC[C@@H](C)[N@@H+](Cc1cc2ccccc2n(C)c1=O)C1CCCC1 ZINC000055211480 563472700 /nfs/dbraw/zinc/47/27/00/563472700.db2.gz XJFZVEMKTCHMSY-OAHLLOKOSA-N 1 1 312.457 4.082 10 0 DIAEMO CC[N@@H+](CC(C)C)[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685953647 563961308 /nfs/dbraw/zinc/96/13/08/563961308.db2.gz YCIXGJJWLMJYSE-GOSISDBHSA-N 1 1 312.498 4.144 10 0 DIAEMO CC[C@H](N[C@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(C)cc1 ZINC000162484793 1042127969 /nfs/dbraw/zinc/12/79/69/1042127969.db2.gz SNLHXLKXBXIIAV-OALUTQOASA-N 1 1 320.440 4.252 10 0 DIAEMO CC[C@H](N[C@@H](c1n[nH]c(C)n1)c1ccccc1)c1ccc(C)cc1 ZINC000162485045 1042128013 /nfs/dbraw/zinc/12/80/13/1042128013.db2.gz SNLHXLKXBXIIAV-RBUKOAKNSA-N 1 1 320.440 4.252 10 0 DIAEMO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)CCO2)o1 ZINC000183981821 1046202584 /nfs/dbraw/zinc/20/25/84/1046202584.db2.gz GIKAVBMFGWMLLI-INIZCTEOSA-N 1 1 307.340 4.099 10 0 DIAEMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)CCO2)o1 ZINC000183981821 1046202594 /nfs/dbraw/zinc/20/25/94/1046202594.db2.gz GIKAVBMFGWMLLI-INIZCTEOSA-N 1 1 307.340 4.099 10 0 DIAEMO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)c1 ZINC000124001380 1046453133 /nfs/dbraw/zinc/45/31/33/1046453133.db2.gz UFBPHPPAZDRIIF-LSDHHAIUSA-N 1 1 322.412 4.160 10 0 DIAEMO Cc1noc([C@H]2CCC[N@H+](C[C@H](C)c3cccc(Cl)c3)C2)n1 ZINC000249168857 1046858887 /nfs/dbraw/zinc/85/88/87/1046858887.db2.gz AGONAGKFRLZPHK-WFASDCNBSA-N 1 1 319.836 4.015 10 0 DIAEMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000268773984 1053769817 /nfs/dbraw/zinc/76/98/17/1053769817.db2.gz MUSNMWADQZDBRX-XQQFMLRXSA-N 1 1 313.272 4.271 10 0 DIAEMO CCCCc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1 ZINC000090223209 185287405 /nfs/dbraw/zinc/28/74/05/185287405.db2.gz WHJYXRNWQGAXOS-KDOFPFPSSA-N 1 1 312.461 4.115 10 0 DIAEMO CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073656064 191337957 /nfs/dbraw/zinc/33/79/57/191337957.db2.gz VIQAJHJJZNBPFD-JKSUJKDBSA-N 1 1 312.498 4.287 10 0 DIAEMO CN(C)C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000020549365 182230203 /nfs/dbraw/zinc/23/02/03/182230203.db2.gz HUKUDZPUOWXGCB-QGZVFWFLSA-N 1 1 323.267 4.386 10 0 DIAEMO C[N@@H+]([C@@H](CN)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020557280 182231187 /nfs/dbraw/zinc/23/11/87/182231187.db2.gz IXWPOJADPAFTMV-HNNXBMFYSA-N 1 1 301.261 4.258 10 0 DIAEMO CN([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020557280 182231190 /nfs/dbraw/zinc/23/11/90/182231190.db2.gz IXWPOJADPAFTMV-HNNXBMFYSA-N 1 1 301.261 4.258 10 0 DIAEMO CC[C@@H](C)N(CC)c1c(N)c[nH+]c2ccc(Br)cc21 ZINC000036813110 182844506 /nfs/dbraw/zinc/84/45/06/182844506.db2.gz KXUZZTYOMCUOBE-SNVBAGLBSA-N 1 1 322.250 4.204 10 0 DIAEMO CC(C)C[C@H](C)[N@H+](C)CC(=O)c1sccc1Br ZINC000042586503 183287861 /nfs/dbraw/zinc/28/78/61/183287861.db2.gz YKXOMFUIZDFFTB-JTQLQIEISA-N 1 1 318.280 4.060 10 0 DIAEMO CC(C)C[C@H](C)[N@@H+](C)CC(=O)c1sccc1Br ZINC000042586503 183287862 /nfs/dbraw/zinc/28/78/62/183287862.db2.gz YKXOMFUIZDFFTB-JTQLQIEISA-N 1 1 318.280 4.060 10 0 DIAEMO CC(C)C[C@@H](C)[N@H+](C)CC(=O)c1ccc(Br)s1 ZINC000042586781 183288148 /nfs/dbraw/zinc/28/81/48/183288148.db2.gz CEQAPRZQXCUBNB-SNVBAGLBSA-N 1 1 318.280 4.060 10 0 DIAEMO CC(C)C[C@@H](C)[N@@H+](C)CC(=O)c1ccc(Br)s1 ZINC000042586781 183288150 /nfs/dbraw/zinc/28/81/50/183288150.db2.gz CEQAPRZQXCUBNB-SNVBAGLBSA-N 1 1 318.280 4.060 10 0 DIAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)c1ccc(Br)cc1 ZINC000042608972 183290170 /nfs/dbraw/zinc/29/01/70/183290170.db2.gz NMUBPZQZABQYCX-WFASDCNBSA-N 1 1 324.262 4.142 10 0 DIAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(N)cc1Br ZINC000042601780 183290202 /nfs/dbraw/zinc/29/02/02/183290202.db2.gz JLENHDSEGMFATD-IAQYHMDHSA-N 1 1 311.267 4.042 10 0 DIAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)c1cccc(Br)c1 ZINC000042609053 183290529 /nfs/dbraw/zinc/29/05/29/183290529.db2.gz WSXPIFHYMROKLB-IUODEOHRSA-N 1 1 324.262 4.142 10 0 DIAEMO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1cccs1 ZINC000179191713 333024308 /nfs/dbraw/zinc/02/43/08/333024308.db2.gz SVQORUNLIREDKK-SFYZADRCSA-N 1 1 317.277 4.379 10 0 DIAEMO CC[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000180023901 333026488 /nfs/dbraw/zinc/02/64/88/333026488.db2.gz WPTVDKBZPYAGPW-OALUTQOASA-N 1 1 300.421 4.169 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000188963989 333059245 /nfs/dbraw/zinc/05/92/45/333059245.db2.gz UBAZKOSNPHIAEM-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000188963989 333059246 /nfs/dbraw/zinc/05/92/46/333059246.db2.gz UBAZKOSNPHIAEM-MRXNPFEDSA-N 1 1 321.827 4.167 10 0 DIAEMO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc2ccccc2n1 ZINC000178443730 333138802 /nfs/dbraw/zinc/13/88/02/333138802.db2.gz UXJLSHZZKMLYOT-IERDGZPVSA-N 1 1 319.452 4.188 10 0 DIAEMO CC(C)[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390672060 333313143 /nfs/dbraw/zinc/31/31/43/333313143.db2.gz OAUNNPAOTAGWOU-OHSMVPPVSA-N 1 1 300.490 4.064 10 0 DIAEMO CC[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000186835497 333379933 /nfs/dbraw/zinc/37/99/33/333379933.db2.gz DBUNEFLFUWHOFQ-RTBURBONSA-N 1 1 300.421 4.169 10 0 DIAEMO CC[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000186835441 333379940 /nfs/dbraw/zinc/37/99/40/333379940.db2.gz DBUNEFLFUWHOFQ-OALUTQOASA-N 1 1 300.421 4.169 10 0 DIAEMO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000192724976 336259301 /nfs/dbraw/zinc/25/93/01/336259301.db2.gz YXGMRNSQDORXQQ-KGLIPLIRSA-N 1 1 313.445 4.200 10 0 DIAEMO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000192724952 336259398 /nfs/dbraw/zinc/25/93/98/336259398.db2.gz YXGMRNSQDORXQQ-KBPBESRZSA-N 1 1 313.445 4.200 10 0 DIAEMO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1Br ZINC000034992195 336384964 /nfs/dbraw/zinc/38/49/64/336384964.db2.gz ILXLMLWPWKZXMX-LLVKDONJSA-N 1 1 306.203 4.006 10 0 DIAEMO COc1cc(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)ccc1C ZINC000193840899 337079643 /nfs/dbraw/zinc/07/96/43/337079643.db2.gz DBUSRCILPMANJN-INIZCTEOSA-N 1 1 316.470 4.148 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000171520781 337087773 /nfs/dbraw/zinc/08/77/73/337087773.db2.gz NLCFZVLXNKRXAK-ZDUSSCGKSA-N 1 1 309.866 4.089 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000171520781 337087774 /nfs/dbraw/zinc/08/77/74/337087774.db2.gz NLCFZVLXNKRXAK-ZDUSSCGKSA-N 1 1 309.866 4.089 10 0 DIAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)n1 ZINC000173603533 337136695 /nfs/dbraw/zinc/13/66/95/337136695.db2.gz ZWFYVCMMRKLNFE-CYBMUJFWSA-N 1 1 321.877 4.134 10 0 DIAEMO Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@H]3c3ccco3)o2)c1 ZINC000175238853 337146427 /nfs/dbraw/zinc/14/64/27/337146427.db2.gz JSGYPUASBRRJOY-HNNXBMFYSA-N 1 1 312.344 4.411 10 0 DIAEMO Fc1cccc(-c2cnc(C[N@H+]3CCC[C@H]3c3ccco3)o2)c1 ZINC000175238853 337146428 /nfs/dbraw/zinc/14/64/28/337146428.db2.gz JSGYPUASBRRJOY-HNNXBMFYSA-N 1 1 312.344 4.411 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000178530644 337163461 /nfs/dbraw/zinc/16/34/61/337163461.db2.gz FTDGHUMHZGABOR-KRWDZBQOSA-N 1 1 309.413 4.120 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc2ccccc21 ZINC000178312977 337163853 /nfs/dbraw/zinc/16/38/53/337163853.db2.gz QGGFEFMJNZFOLL-LJQANCHMSA-N 1 1 305.425 4.009 10 0 DIAEMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)cn1 ZINC000178613766 337165535 /nfs/dbraw/zinc/16/55/35/337165535.db2.gz NRXMMONPOWEYRC-UZLBHIALSA-N 1 1 320.440 4.299 10 0 DIAEMO COCc1cccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000179206005 337168193 /nfs/dbraw/zinc/16/81/93/337168193.db2.gz DPDCHYOJPOBODX-MRXNPFEDSA-N 1 1 302.443 4.017 10 0 DIAEMO COCc1cccc(C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000179206005 337168194 /nfs/dbraw/zinc/16/81/94/337168194.db2.gz DPDCHYOJPOBODX-MRXNPFEDSA-N 1 1 302.443 4.017 10 0 DIAEMO CCOCc1cc(C[N@H+]2CCC[C@@H]2c2ccco2)ccc1OC ZINC000179597050 337170464 /nfs/dbraw/zinc/17/04/64/337170464.db2.gz PNZONZJHUHRFCE-QGZVFWFLSA-N 1 1 315.413 4.162 10 0 DIAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000180132446 337171615 /nfs/dbraw/zinc/17/16/15/337171615.db2.gz JONIRTPUALFYSF-CQSZACIVSA-N 1 1 324.255 4.163 10 0 DIAEMO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000183032913 337191024 /nfs/dbraw/zinc/19/10/24/337191024.db2.gz NIWNMBVNNHZADX-GFCCVEGCSA-N 1 1 307.488 4.103 10 0 DIAEMO CC(C)c1cnc(C[N@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000183032913 337191025 /nfs/dbraw/zinc/19/10/25/337191025.db2.gz NIWNMBVNNHZADX-GFCCVEGCSA-N 1 1 307.488 4.103 10 0 DIAEMO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccc(O)c1 ZINC000183795331 337193556 /nfs/dbraw/zinc/19/35/56/337193556.db2.gz CYXHUTXFMSRTOU-FOIQADDNSA-N 1 1 304.393 4.227 10 0 DIAEMO CC[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1cccs1 ZINC000184089241 337196197 /nfs/dbraw/zinc/19/61/97/337196197.db2.gz MJGWJMWDJPFSPA-LLVKDONJSA-N 1 1 305.428 4.101 10 0 DIAEMO Cc1cncc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c1 ZINC000184341428 337197898 /nfs/dbraw/zinc/19/78/98/337197898.db2.gz IHBOJBJZPAVSPA-OXJNMPFZSA-N 1 1 303.409 4.225 10 0 DIAEMO c1cc2[nH+]ccc(NCc3ncc(-c4ccccc4)cn3)c2s1 ZINC000185992892 337252439 /nfs/dbraw/zinc/25/24/39/337252439.db2.gz HZTFVPRVZYDWGK-UHFFFAOYSA-N 1 1 318.405 4.365 10 0 DIAEMO c1ccc(-c2cnc(C[NH2+][C@H](c3ccccc3)C3CC3)nc2)cc1 ZINC000186048370 337253024 /nfs/dbraw/zinc/25/30/24/337253024.db2.gz JVCWTLDWOJIGGR-OAQYLSRUSA-N 1 1 315.420 4.385 10 0 DIAEMO CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccs1 ZINC000186047364 337253126 /nfs/dbraw/zinc/25/31/26/337253126.db2.gz FHBSUDSPNKYUPP-MRXNPFEDSA-N 1 1 309.438 4.446 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(Cl)c1F ZINC000187126157 337262739 /nfs/dbraw/zinc/26/27/39/337262739.db2.gz TWMBACXRYVRRBW-JSGCOSHPSA-N 1 1 321.827 4.210 10 0 DIAEMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)c(F)cc1F ZINC000188950832 337276960 /nfs/dbraw/zinc/27/69/60/337276960.db2.gz NBSVGLSANJFLOL-INIZCTEOSA-N 1 1 307.315 4.026 10 0 DIAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)n1 ZINC000189410926 337279798 /nfs/dbraw/zinc/27/97/98/337279798.db2.gz DAYQKKUDMBFGRX-CABCVRRESA-N 1 1 308.491 4.015 10 0 DIAEMO CC[C@H]([NH2+][C@H](C)c1nnnn1C1CCCCC1)c1cccs1 ZINC000189927523 337283795 /nfs/dbraw/zinc/28/37/95/337283795.db2.gz CRPWNPQGPFLFBL-OCCSQVGLSA-N 1 1 319.478 4.042 10 0 DIAEMO CCC[N@@H+](CCc1ccccc1)CCc1ccc(OC)c(F)c1 ZINC000584594894 337373932 /nfs/dbraw/zinc/37/39/32/337373932.db2.gz AXVIHKKDDRNABR-UHFFFAOYSA-N 1 1 315.432 4.332 10 0 DIAEMO O[C@H](C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000584627450 337376231 /nfs/dbraw/zinc/37/62/31/337376231.db2.gz PRQIBUMQPFFOON-WOJBJXKFSA-N 1 1 313.416 4.304 10 0 DIAEMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)c1C ZINC000116298361 337392468 /nfs/dbraw/zinc/39/24/68/337392468.db2.gz GHYCEZQXHWIPRZ-DOTOQJQBSA-N 1 1 312.413 4.061 10 0 DIAEMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c1C ZINC000116298361 337392469 /nfs/dbraw/zinc/39/24/69/337392469.db2.gz GHYCEZQXHWIPRZ-DOTOQJQBSA-N 1 1 312.413 4.061 10 0 DIAEMO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130769987 337434159 /nfs/dbraw/zinc/43/41/59/337434159.db2.gz LZMXZGYEHIBFKW-CABCVRRESA-N 1 1 312.461 4.150 10 0 DIAEMO COc1ccc(Cl)c(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000192147418 340563020 /nfs/dbraw/zinc/56/30/20/340563020.db2.gz DVLBSJKIMUVZKT-SNVBAGLBSA-N 1 1 311.759 4.478 10 0 DIAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)o1 ZINC000193641671 340580687 /nfs/dbraw/zinc/58/06/87/340580687.db2.gz VDWCWTMDEJVPEH-CABCVRRESA-N 1 1 322.408 4.419 10 0 DIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](C)Cc1ccccc1 ZINC000132332946 341120999 /nfs/dbraw/zinc/12/09/99/341120999.db2.gz ONFOOPKYJAGLTL-KXBFYZLASA-N 1 1 311.473 4.053 10 0 DIAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)c1 ZINC000246839345 341357690 /nfs/dbraw/zinc/35/76/90/341357690.db2.gz VDTAEJNOAIBQGQ-KSSFIOAISA-N 1 1 315.848 4.169 10 0 DIAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)c1 ZINC000247608058 341367984 /nfs/dbraw/zinc/36/79/84/341367984.db2.gz LYBZJZDJRUMMJA-RHSMWYFYSA-N 1 1 303.837 4.243 10 0 DIAEMO CCCCC[C@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccccc1 ZINC000181749617 520312782 /nfs/dbraw/zinc/31/27/82/520312782.db2.gz ATQFGOWITWHGHB-KRWDZBQOSA-N 1 1 314.477 4.350 10 0 DIAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000106212162 522594106 /nfs/dbraw/zinc/59/41/06/522594106.db2.gz UGNFTLNTSQZOTI-DZGCQCFKSA-N 1 1 319.399 4.122 10 0 DIAEMO COc1ccnc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)c1OC ZINC000190747939 524835584 /nfs/dbraw/zinc/83/55/84/524835584.db2.gz UDLKABAMDZFPDV-CQSZACIVSA-N 1 1 314.429 4.073 10 0 DIAEMO Cc1cncc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1 ZINC000189900392 526195254 /nfs/dbraw/zinc/19/52/54/526195254.db2.gz AGYXPTNGESIMLF-MRXNPFEDSA-N 1 1 315.486 4.350 10 0 DIAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)c1 ZINC000106225558 526267750 /nfs/dbraw/zinc/26/77/50/526267750.db2.gz WAXMMBMZZDWBAI-HNNXBMFYSA-N 1 1 323.362 4.047 10 0 DIAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)n1 ZINC000156969920 526421960 /nfs/dbraw/zinc/42/19/60/526421960.db2.gz SAOZIDRPZCJHNQ-QGZVFWFLSA-N 1 1 323.465 4.379 10 0 DIAEMO c1csc([C@@H]2CCCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000127650933 526586970 /nfs/dbraw/zinc/58/69/70/526586970.db2.gz QUOKDBWNZDZCFP-INIZCTEOSA-N 1 1 324.453 4.260 10 0 DIAEMO c1csc([C@@H]2CCCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000127650933 526586974 /nfs/dbraw/zinc/58/69/74/526586974.db2.gz QUOKDBWNZDZCFP-INIZCTEOSA-N 1 1 324.453 4.260 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000106211752 527662851 /nfs/dbraw/zinc/66/28/51/527662851.db2.gz OLSMGEBWPRCEET-MRXNPFEDSA-N 1 1 303.837 4.027 10 0 DIAEMO CC[C@@H](C)[N@@H+](Cc1cccnc1)Cc1ccc2cccc(O)c2n1 ZINC000055042605 563471199 /nfs/dbraw/zinc/47/11/99/563471199.db2.gz BFPUGIGKJBJORF-OAHLLOKOSA-N 1 1 321.424 4.136 10 0 DIAEMO Cc1cccc(C[NH2+]Cc2cccnc2Oc2ccccc2C)n1 ZINC000015063840 563783400 /nfs/dbraw/zinc/78/34/00/563783400.db2.gz UTGKMRWHHGOCMK-UHFFFAOYSA-N 1 1 319.408 4.176 10 0 DIAEMO CC(=O)Nc1ccccc1C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000137028569 1046562697 /nfs/dbraw/zinc/56/26/97/1046562697.db2.gz PHGMLQWLZPTQOG-UHFFFAOYSA-N 1 1 324.399 4.073 10 0 DIAEMO CC(=O)Nc1ccccc1C[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000137028569 1046562708 /nfs/dbraw/zinc/56/27/08/1046562708.db2.gz PHGMLQWLZPTQOG-UHFFFAOYSA-N 1 1 324.399 4.073 10 0 DIAEMO FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195340820 1046594403 /nfs/dbraw/zinc/59/44/03/1046594403.db2.gz ORVJDMDNXTXHOK-CYBMUJFWSA-N 1 1 324.396 4.124 10 0 DIAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000088560129 185257830 /nfs/dbraw/zinc/25/78/30/185257830.db2.gz QIRVBAMKTVHVIV-KBXCAEBGSA-N 1 1 320.440 4.179 10 0 DIAEMO CCC[N@@H+](CCc1ccsc1)[C@@H]1CCc2c(O)cccc2C1 ZINC000005833412 181287458 /nfs/dbraw/zinc/28/74/58/181287458.db2.gz RHRKSVACMIQFDY-QGZVFWFLSA-N 1 1 315.482 4.266 10 0 DIAEMO C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 ZINC000006037805 181307475 /nfs/dbraw/zinc/30/74/75/181307475.db2.gz ULOGPOOAAOSAOC-LAUBAEHRSA-N 1 1 309.453 4.234 10 0 DIAEMO C[C@@H]1[N@@H+](CCc2ccccc2)CCC[C@@]1(C)c1cccc(O)c1 ZINC000006067112 181310249 /nfs/dbraw/zinc/31/02/49/181310249.db2.gz QJSHWACLCHUVNZ-LAUBAEHRSA-N 1 1 309.453 4.377 10 0 DIAEMO Cc1ncccc1C[N@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000019227227 182108883 /nfs/dbraw/zinc/10/88/83/182108883.db2.gz PMWFIWVTBMHTNV-QGZVFWFLSA-N 1 1 300.471 4.439 10 0 DIAEMO NC[C@H](c1ccc(SC(F)(F)F)cc1)[NH+]1CCCCCC1 ZINC000019231454 182109536 /nfs/dbraw/zinc/10/95/36/182109536.db2.gz CSOBBNLUIJYMDP-CQSZACIVSA-N 1 1 318.408 4.174 10 0 DIAEMO COc1ccc(C)cc1[C@@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000020592868 182236062 /nfs/dbraw/zinc/23/60/62/182236062.db2.gz CSGZVJKHRFKOKK-QGZVFWFLSA-N 1 1 301.773 4.451 10 0 DIAEMO C[C@H](Nc1[nH]c2ccccc2[nH+]1)c1cccc(Br)c1 ZINC000038012637 182963659 /nfs/dbraw/zinc/96/36/59/182963659.db2.gz NMBJQGVQNKLDGJ-JTQLQIEISA-N 1 1 316.202 4.499 10 0 DIAEMO COc1ccc2[nH+]ccc(Nc3ccc(OC)c(OC)c3)c2c1 ZINC000041055427 183160328 /nfs/dbraw/zinc/16/03/28/183160328.db2.gz IHRRPHYITVMCCY-UHFFFAOYSA-N 1 1 310.353 4.004 10 0 DIAEMO CCC1CCC([N@H+](C)[C@H](CN)c2ccc(Cl)s2)CC1 ZINC000042318512 183253581 /nfs/dbraw/zinc/25/35/81/183253581.db2.gz VLODNPOSSZLJQE-WXRRBKDZSA-N 1 1 300.899 4.302 10 0 DIAEMO CCC1CCC([N@@H+](C)[C@H](CN)c2ccc(Cl)s2)CC1 ZINC000042318512 183253583 /nfs/dbraw/zinc/25/35/83/183253583.db2.gz VLODNPOSSZLJQE-WXRRBKDZSA-N 1 1 300.899 4.302 10 0 DIAEMO CC(C)C[N@@H+](CC(=O)c1sccc1Br)C(C)C ZINC000042587662 183287919 /nfs/dbraw/zinc/28/79/19/183287919.db2.gz DSXGELNINWQUTA-UHFFFAOYSA-N 1 1 318.280 4.060 10 0 DIAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)c1ccccc1Br ZINC000042609034 183290106 /nfs/dbraw/zinc/29/01/06/183290106.db2.gz WMNICZZANRAMMY-WFASDCNBSA-N 1 1 324.262 4.142 10 0 DIAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1c(N)cccc1Br ZINC000042601484 183290349 /nfs/dbraw/zinc/29/03/49/183290349.db2.gz PUSCJWIRWSODJC-IAQYHMDHSA-N 1 1 311.267 4.042 10 0 DIAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)c1ccc(Br)cc1 ZINC000042608971 183290649 /nfs/dbraw/zinc/29/06/49/183290649.db2.gz NMUBPZQZABQYCX-DOMZBBRYSA-N 1 1 324.262 4.142 10 0 DIAEMO CCC[N@H+]1CCCn2nc(-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000065270418 184320089 /nfs/dbraw/zinc/32/00/89/184320089.db2.gz IUIKKAZZMZCXQO-UHFFFAOYSA-N 1 1 323.362 4.185 10 0 DIAEMO CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)OC(C)(C)C)C[C@H]1C ZINC000242688164 257259370 /nfs/dbraw/zinc/25/93/70/257259370.db2.gz VIQAJHJJZNBPFD-HZPDHXFCSA-N 1 1 312.498 4.287 10 0 DIAEMO COc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)c(SC)cc1OC ZINC000077988512 331674304 /nfs/dbraw/zinc/67/43/04/331674304.db2.gz YGHRQQCOFSPSKK-LBPRGKRZSA-N 1 1 321.442 4.178 10 0 DIAEMO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)n1C ZINC000178452891 333138954 /nfs/dbraw/zinc/13/89/54/333138954.db2.gz BWABOTJNMROZPZ-AWEZNQCLSA-N 1 1 314.477 4.087 10 0 DIAEMO CC[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cc1 ZINC000120424288 333282280 /nfs/dbraw/zinc/28/22/80/333282280.db2.gz WVGADKZNMNYSFF-MOPGFXCFSA-N 1 1 300.421 4.169 10 0 DIAEMO CC[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000186835484 333379864 /nfs/dbraw/zinc/37/98/64/333379864.db2.gz DBUNEFLFUWHOFQ-RBUKOAKNSA-N 1 1 300.421 4.169 10 0 DIAEMO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3sc4ccccc4c3Cl)C[C@H]21 ZINC000228472820 333385850 /nfs/dbraw/zinc/38/58/50/333385850.db2.gz IGNQYYLYNXFGPH-MRVWCRGKSA-N 1 1 320.889 4.114 10 0 DIAEMO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1 ZINC000173452781 337135342 /nfs/dbraw/zinc/13/53/42/337135342.db2.gz MCTRPMIGZNMEEC-WFASDCNBSA-N 1 1 318.852 4.070 10 0 DIAEMO CCCCCC(C)(C)C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000175384119 337145713 /nfs/dbraw/zinc/14/57/13/337145713.db2.gz ZOSXIALFKDEEHB-MRXNPFEDSA-N 1 1 319.493 4.216 10 0 DIAEMO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccc(O)c1 ZINC000183795312 337193566 /nfs/dbraw/zinc/19/35/66/337193566.db2.gz CYXHUTXFMSRTOU-MGPUTAFESA-N 1 1 304.393 4.227 10 0 DIAEMO Cc1cncc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c1 ZINC000184341398 337197896 /nfs/dbraw/zinc/19/78/96/337197896.db2.gz IHBOJBJZPAVSPA-JXFKEZNVSA-N 1 1 303.409 4.225 10 0 DIAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C)nc3C)C2)n1 ZINC000186910370 337260330 /nfs/dbraw/zinc/26/03/30/337260330.db2.gz ZNCPGYONEMLEFI-MRXNPFEDSA-N 1 1 315.486 4.097 10 0 DIAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccsc1Cl ZINC000188748380 337274666 /nfs/dbraw/zinc/27/46/66/337274666.db2.gz LZKJFEXRDNFZET-JSGCOSHPSA-N 1 1 321.877 4.119 10 0 DIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2nccn2-c2ccccc2)cc1F ZINC000191310163 337295870 /nfs/dbraw/zinc/29/58/70/337295870.db2.gz HRSRAPDQSCKXCR-OAHLLOKOSA-N 1 1 309.388 4.171 10 0 DIAEMO CCC[N@@H+](CCc1ccccc1)CCc1ccc(F)c(OC)c1 ZINC000584594923 337374013 /nfs/dbraw/zinc/37/40/13/337374013.db2.gz JAHAODSLTWRPDK-UHFFFAOYSA-N 1 1 315.432 4.332 10 0 DIAEMO C[C@@]1(O)CC[N@H+]2C[C@@H](c3ccc(Cl)cc3Cl)CC[C@@H]2C1 ZINC000584625654 337375609 /nfs/dbraw/zinc/37/56/09/337375609.db2.gz OJZRFDLUIISVOS-NORZTCDRSA-N 1 1 314.256 4.086 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@@H+]2C/C=C\c2ccc(F)cc2)cs1 ZINC000428419510 338050757 /nfs/dbraw/zinc/05/07/57/338050757.db2.gz MTEVNFAVAJMATM-MMTGSJLXSA-N 1 1 302.418 4.441 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@H+]2C/C=C\c2ccc(F)cc2)cs1 ZINC000428419510 338050758 /nfs/dbraw/zinc/05/07/58/338050758.db2.gz MTEVNFAVAJMATM-MMTGSJLXSA-N 1 1 302.418 4.441 10 0 DIAEMO C[C@@H](CCSc1ccccc1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000153412406 338224034 /nfs/dbraw/zinc/22/40/34/338224034.db2.gz SYNFAGMCSKEBEJ-MAUKXSAKSA-N 1 1 315.486 4.128 10 0 DIAEMO Cc1ccc(C[NH2+][C@H](C)c2ccccc2Br)nc1 ZINC000126939078 340840000 /nfs/dbraw/zinc/84/00/00/340840000.db2.gz OEVRETBGQWKIOI-GFCCVEGCSA-N 1 1 305.219 4.003 10 0 DIAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)c1 ZINC000245512472 341298590 /nfs/dbraw/zinc/29/85/90/341298590.db2.gz NSIVCUOMXCEOLP-HKUYNNGSSA-N 1 1 313.420 4.045 10 0 DIAEMO CC(C)(C)c1csc([C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)CCO2)n1 ZINC000245551971 341301525 /nfs/dbraw/zinc/30/15/25/341301525.db2.gz CFOJWDAHJYULBT-CABCVRRESA-N 1 1 320.502 4.170 10 0 DIAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1ccc(F)c(Cl)c1 ZINC000247223609 341362409 /nfs/dbraw/zinc/36/24/09/341362409.db2.gz YTEKQOUJSIHFIV-DOMZBBRYSA-N 1 1 321.827 4.210 10 0 DIAEMO Clc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)c(Cl)c1 ZINC000090473533 341416219 /nfs/dbraw/zinc/41/62/19/341416219.db2.gz WOHDXZSYWSRMSL-UHFFFAOYSA-N 1 1 324.255 4.102 10 0 DIAEMO CCCCC[C@@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccccc1 ZINC000181749636 520294421 /nfs/dbraw/zinc/29/44/21/520294421.db2.gz ATQFGOWITWHGHB-QGZVFWFLSA-N 1 1 314.477 4.350 10 0 DIAEMO COC(=O)c1oc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1C ZINC000181625629 522411005 /nfs/dbraw/zinc/41/10/05/522411005.db2.gz XATKIPAJEJECCM-MNOVXSKESA-N 1 1 323.339 4.065 10 0 DIAEMO COCc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000127660229 522972148 /nfs/dbraw/zinc/97/21/48/522972148.db2.gz YBQSLUBMZWOWLN-MRXNPFEDSA-N 1 1 302.443 4.017 10 0 DIAEMO COCc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000127660229 522972156 /nfs/dbraw/zinc/97/21/56/522972156.db2.gz YBQSLUBMZWOWLN-MRXNPFEDSA-N 1 1 302.443 4.017 10 0 DIAEMO Cc1csc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)n1 ZINC000131001922 526343577 /nfs/dbraw/zinc/34/35/77/526343577.db2.gz BOVNGNNFIYABMC-ZDUSSCGKSA-N 1 1 321.515 4.411 10 0 DIAEMO Cc1noc(C)c1C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131250661 526516419 /nfs/dbraw/zinc/51/64/19/526516419.db2.gz LKKYTQXWKJJILF-QGZVFWFLSA-N 1 1 312.413 4.218 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccc3cccnc32)cs1 ZINC000189822032 527051232 /nfs/dbraw/zinc/05/12/32/527051232.db2.gz OMVGLXVCVDXMDG-KRWDZBQOSA-N 1 1 309.438 4.337 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)cs1 ZINC000189929958 527052450 /nfs/dbraw/zinc/05/24/50/527052450.db2.gz RXDMVVINOIPEBK-KRWDZBQOSA-N 1 1 324.453 4.179 10 0 DIAEMO Cc1nc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)cs1 ZINC000189929958 527052458 /nfs/dbraw/zinc/05/24/58/527052458.db2.gz RXDMVVINOIPEBK-KRWDZBQOSA-N 1 1 324.453 4.179 10 0 DIAEMO Cc1nccnc1[C@@H](C)[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000188238737 527455719 /nfs/dbraw/zinc/45/57/19/527455719.db2.gz SUSSNRCPXQPESY-WBVHZDCISA-N 1 1 323.440 4.272 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000106206029 527662903 /nfs/dbraw/zinc/66/29/03/527662903.db2.gz NRKSDZRRXJICBY-MRXNPFEDSA-N 1 1 303.837 4.027 10 0 DIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000106211781 527663091 /nfs/dbraw/zinc/66/30/91/527663091.db2.gz WUTZQZJFTLBBPU-MRXNPFEDSA-N 1 1 303.837 4.027 10 0 DIAEMO CC1CC[NH+](Cc2cccc(Cl)c2Br)CC1 ZINC000669378402 563869519 /nfs/dbraw/zinc/86/95/19/563869519.db2.gz CZNOGOJDYJROJC-UHFFFAOYSA-N 1 1 302.643 4.334 10 0 DIAEMO CCC[N@H+](Cc1ccnc(C(C)C)n1)Cc1ccccc1OC ZINC000055269910 563473634 /nfs/dbraw/zinc/47/36/34/563473634.db2.gz CHHPWGMMCFXKLT-UHFFFAOYSA-N 1 1 313.445 4.021 10 0 DIAEMO CCC[N@@H+](Cc1ccnc(C(C)C)n1)Cc1ccccc1OC ZINC000055269910 563473637 /nfs/dbraw/zinc/47/36/37/563473637.db2.gz CHHPWGMMCFXKLT-UHFFFAOYSA-N 1 1 313.445 4.021 10 0 DIAEMO C[N@H+]1CC[C@H]2[C@@H](C1)c1cc(Cl)ccc1N2Cc1ccccc1 ZINC000536555932 563889567 /nfs/dbraw/zinc/88/95/67/563889567.db2.gz CSLZACPQIWUACW-HKUYNNGSSA-N 1 1 312.844 4.148 10 0 DIAEMO CC(C)(C)c1csc(C[N@@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000119593804 1045433159 /nfs/dbraw/zinc/43/31/59/1045433159.db2.gz BLXOVBCTNDNHII-LBPRGKRZSA-N 1 1 321.515 4.277 10 0 DIAEMO CC(C)(C)c1csc(C[N@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000119593804 1045433164 /nfs/dbraw/zinc/43/31/64/1045433164.db2.gz BLXOVBCTNDNHII-LBPRGKRZSA-N 1 1 321.515 4.277 10 0 DIAEMO c1csc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000124286432 1046454340 /nfs/dbraw/zinc/45/43/40/1046454340.db2.gz YRHJJMJYETUNRW-OAHLLOKOSA-N 1 1 309.438 4.071 10 0 DIAEMO CC(C)(C)c1ncc(C[N@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000092788854 1047538973 /nfs/dbraw/zinc/53/89/73/1047538973.db2.gz ZAVGPJFLQSGOLH-LBPRGKRZSA-N 1 1 321.515 4.277 10 0 DIAEMO