smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000069068833 1030544043 /nfs/dbraw/zinc/54/40/43/1030544043.db2.gz TUQAEFTWBSMWKI-UONOGXRCSA-N 1 2 318.442 3.698 10 0 DHAELO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000069068833 1030544058 /nfs/dbraw/zinc/54/40/58/1030544058.db2.gz TUQAEFTWBSMWKI-UONOGXRCSA-N 1 2 318.442 3.698 10 0 DHAELO Brc1cncc(-c2[nH+]ccn2Cc2ccccc2)c1 ZINC000082739526 185199733 /nfs/dbraw/zinc/19/97/33/185199733.db2.gz VEKLUZGHQAEPMO-UHFFFAOYSA-N 1 2 314.186 3.756 10 0 DHAELO CCCC(=O)NCCCCCc1[nH+]c2ccccc2n1CC ZINC000040211224 183045581 /nfs/dbraw/zinc/04/55/81/183045581.db2.gz CFTUMVZZPZDACI-UHFFFAOYSA-N 1 2 301.434 3.685 10 0 DHAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(C)c1 ZINC000040295728 183052522 /nfs/dbraw/zinc/05/25/22/183052522.db2.gz CDOYNVRLIRLLQD-UHFFFAOYSA-N 1 2 307.397 3.936 10 0 DHAELO CCCCc1ccc(Nc2[nH+]cnc(N(CC)CC)c2N)cc1 ZINC000040679950 183117008 /nfs/dbraw/zinc/11/70/08/183117008.db2.gz OYFZWLVECNITJR-UHFFFAOYSA-N 1 2 313.449 3.991 10 0 DHAELO CCCNc1[nH+]cnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040707778 183121345 /nfs/dbraw/zinc/12/13/45/183121345.db2.gz SGAHIZJJRVUYPX-UHFFFAOYSA-N 1 2 311.311 3.643 10 0 DHAELO CCCNc1nc[nH+]c(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040707778 183121347 /nfs/dbraw/zinc/12/13/47/183121347.db2.gz SGAHIZJJRVUYPX-UHFFFAOYSA-N 1 2 311.311 3.643 10 0 DHAELO CCN(CC)c1nc[nH+]c(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703555 183120134 /nfs/dbraw/zinc/12/01/34/183120134.db2.gz FEVLWAXIVWRSJI-UHFFFAOYSA-N 1 2 305.813 3.610 10 0 DHAELO CCN(CC)c1[nH+]cnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703555 183120135 /nfs/dbraw/zinc/12/01/35/183120135.db2.gz FEVLWAXIVWRSJI-UHFFFAOYSA-N 1 2 305.813 3.610 10 0 DHAELO Nc1c(NC2CCCC2)nc[nH+]c1Nc1ccc(Cl)cc1 ZINC000040782205 183133604 /nfs/dbraw/zinc/13/36/04/183133604.db2.gz WZRFOJVUPAORKO-UHFFFAOYSA-N 1 2 303.797 3.810 10 0 DHAELO Nc1c(Nc2ccc(Cl)cc2)nc[nH+]c1NC1CCCC1 ZINC000040782205 183133606 /nfs/dbraw/zinc/13/36/06/183133606.db2.gz WZRFOJVUPAORKO-UHFFFAOYSA-N 1 2 303.797 3.810 10 0 DHAELO CC(C)CCNc1[nH+]cnc(Nc2cc(F)ccc2F)c1N ZINC000040797821 183135557 /nfs/dbraw/zinc/13/55/57/183135557.db2.gz STHQPZBSCATJCT-UHFFFAOYSA-N 1 2 307.348 3.539 10 0 DHAELO Nc1c(Nc2cc(Cl)ccc2Cl)nc[nH+]c1N1CCCC1 ZINC000040724353 183125015 /nfs/dbraw/zinc/12/50/15/183125015.db2.gz YUYPBCWJTCBKAS-UHFFFAOYSA-N 1 2 324.215 3.709 10 0 DHAELO CC(C)n1cc[nH+]c1CSCc1cc2ccccc2[nH]c1=O ZINC000175298415 332884184 /nfs/dbraw/zinc/88/41/84/332884184.db2.gz YDHHOTBYGYSGDN-UHFFFAOYSA-N 1 2 313.426 3.739 10 0 DHAELO CCCCOCCOC(=O)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000056898783 331786300 /nfs/dbraw/zinc/78/63/00/331786300.db2.gz MNBLDUWBHRTWEP-SFHVURJKSA-N 1 2 319.445 3.574 10 0 in-man DHAELO CCCn1c2ccccc2nc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978904 332098871 /nfs/dbraw/zinc/09/88/71/332098871.db2.gz ZRDHNYREBDJMRO-ZWKOTPCHSA-N 1 2 313.445 3.590 10 0 DHAELO CCCn1c2ccccc2nc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978904 332098873 /nfs/dbraw/zinc/09/88/73/332098873.db2.gz ZRDHNYREBDJMRO-ZWKOTPCHSA-N 1 2 313.445 3.590 10 0 DHAELO CC(C)N(C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000176380079 333112644 /nfs/dbraw/zinc/11/26/44/333112644.db2.gz KSFBNHVYUBRJDH-CQSZACIVSA-N 1 2 312.417 3.516 10 0 DHAELO COC(=O)c1ccc(F)c(CNc2ccc3ccccc3[nH+]2)c1 ZINC000302205053 336353746 /nfs/dbraw/zinc/35/37/46/336353746.db2.gz WRQZAWDIGMQDRT-UHFFFAOYSA-N 1 2 310.328 3.773 10 0 DHAELO C[C@@H](Nc1nc[nH+]c(N)c1Cl)c1ccc(F)c(Cl)c1 ZINC000302873057 336372647 /nfs/dbraw/zinc/37/26/47/336372647.db2.gz CHNCEDDBLAXMBV-ZCFIWIBFSA-N 1 2 301.152 3.678 10 0 DHAELO C[C@@H](Nc1[nH+]cnc(N)c1Cl)c1ccc(F)c(Cl)c1 ZINC000302873057 336372648 /nfs/dbraw/zinc/37/26/48/336372648.db2.gz CHNCEDDBLAXMBV-ZCFIWIBFSA-N 1 2 301.152 3.678 10 0 DHAELO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1cccs1 ZINC000171111434 337086828 /nfs/dbraw/zinc/08/68/28/337086828.db2.gz VFNLTNWJAYAFAT-JTQLQIEISA-N 1 2 303.362 3.788 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2nnc(C(C)C)n2C)o1 ZINC000172870695 337131667 /nfs/dbraw/zinc/13/16/67/337131667.db2.gz PCTBVEDWUILLDW-AWEZNQCLSA-N 1 2 302.422 3.567 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2nnc(C(C)C)n2C)o1 ZINC000172870695 337131668 /nfs/dbraw/zinc/13/16/68/337131668.db2.gz PCTBVEDWUILLDW-AWEZNQCLSA-N 1 2 302.422 3.567 10 0 DHAELO CC(C)c1nc([C@H]2CCC[N@@H+]2Cc2ccccc2N(C)C)no1 ZINC000173601688 337136700 /nfs/dbraw/zinc/13/67/00/337136700.db2.gz LIUMNLAYYAAMFZ-MRXNPFEDSA-N 1 2 314.433 3.596 10 0 DHAELO CC(C)c1nc([C@H]2CCC[N@H+]2Cc2ccccc2N(C)C)no1 ZINC000173601688 337136701 /nfs/dbraw/zinc/13/67/01/337136701.db2.gz LIUMNLAYYAAMFZ-MRXNPFEDSA-N 1 2 314.433 3.596 10 0 DHAELO Cc1ccsc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173943260 337137687 /nfs/dbraw/zinc/13/76/87/337137687.db2.gz IXDBFHZEEWJARP-CYBMUJFWSA-N 1 2 311.410 3.733 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2sccc2Br)o1 ZINC000220929748 337167112 /nfs/dbraw/zinc/16/71/12/337167112.db2.gz RNCMAAJIVSSCAT-QMMMGPOBSA-N 1 2 301.209 3.658 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2sccc2Br)o1 ZINC000220929690 337167158 /nfs/dbraw/zinc/16/71/58/337167158.db2.gz RNCMAAJIVSSCAT-MRVPVSSYSA-N 1 2 301.209 3.658 10 0 DHAELO Clc1ccc(/C=C/C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000179880355 337172249 /nfs/dbraw/zinc/17/22/49/337172249.db2.gz XRORLTNHXGZMPU-YLSAJCSVSA-N 1 2 320.845 3.883 10 0 DHAELO Clc1ccc(/C=C/C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000179880355 337172250 /nfs/dbraw/zinc/17/22/50/337172250.db2.gz XRORLTNHXGZMPU-YLSAJCSVSA-N 1 2 320.845 3.883 10 0 DHAELO CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186563328 337257665 /nfs/dbraw/zinc/25/76/65/337257665.db2.gz FWNBQWVILNBECV-POZUXBRTSA-N 1 2 311.429 3.732 10 0 DHAELO Cc1nccnc1[C@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000187947160 337268930 /nfs/dbraw/zinc/26/89/30/337268930.db2.gz XRETXCMUBBLLES-HNAYVOBHSA-N 1 2 304.397 3.620 10 0 DHAELO Cc1nccnc1[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000187947079 337268974 /nfs/dbraw/zinc/26/89/74/337268974.db2.gz XRETXCMUBBLLES-BEFAXECRSA-N 1 2 304.397 3.620 10 0 DHAELO CN(C)c1cc(-c2ccc(-n3ccc4ccncc43)nc2)cc[nH+]1 ZINC000584613153 337372508 /nfs/dbraw/zinc/37/25/08/337372508.db2.gz HAYADRDDHFNZOR-UHFFFAOYSA-N 1 2 315.380 3.549 10 0 DHAELO Cc1cc[nH+]c(N[C@H]2COc3ccccc32)c1Br ZINC000236002485 337461408 /nfs/dbraw/zinc/46/14/08/337461408.db2.gz XGJFTOJCCXRTPE-NSHDSACASA-N 1 2 305.175 3.698 10 0 DHAELO C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC(C)(C)C1 ZINC000248526860 337564383 /nfs/dbraw/zinc/56/43/83/337564383.db2.gz CYVSXXFOONEKNL-NCOADZHNSA-N 1 2 317.477 3.755 10 0 DHAELO Fc1ccc(Br)c(F)c1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000500984308 340071581 /nfs/dbraw/zinc/07/15/81/340071581.db2.gz NOKUAVVDSTWWSM-PRHODGIISA-N 1 2 302.162 3.712 10 0 DHAELO Fc1ccc(Br)c(F)c1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000500984308 340071582 /nfs/dbraw/zinc/07/15/82/340071582.db2.gz NOKUAVVDSTWWSM-PRHODGIISA-N 1 2 302.162 3.712 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCCC1CCCC1)C2 ZINC000173374142 340363691 /nfs/dbraw/zinc/36/36/91/340363691.db2.gz RAKRLRWEDULLQT-UHFFFAOYSA-N 1 2 317.477 3.789 10 0 DHAELO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000130660464 341037669 /nfs/dbraw/zinc/03/76/69/341037669.db2.gz VBERQEFSXUFDDF-CVEARBPZSA-N 1 2 310.397 3.956 10 0 DHAELO CCCn1c2ccccc2nc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245549921 341301484 /nfs/dbraw/zinc/30/14/84/341301484.db2.gz ZRDHNYREBDJMRO-MSOLQXFVSA-N 1 2 313.445 3.590 10 0 DHAELO CCCn1c2ccccc2nc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245549921 341301485 /nfs/dbraw/zinc/30/14/85/341301485.db2.gz ZRDHNYREBDJMRO-MSOLQXFVSA-N 1 2 313.445 3.590 10 0 DHAELO Cc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246001216 341321545 /nfs/dbraw/zinc/32/15/45/341321545.db2.gz RUBQIGZOPPRAMW-QAPCUYQASA-N 1 2 321.342 3.720 10 0 DHAELO Cc1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246001216 341321546 /nfs/dbraw/zinc/32/15/46/341321546.db2.gz RUBQIGZOPPRAMW-QAPCUYQASA-N 1 2 321.342 3.720 10 0 DHAELO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000181397549 519763682 /nfs/dbraw/zinc/76/36/82/519763682.db2.gz JLGFEPAOTBVURN-CYBMUJFWSA-N 1 2 315.417 3.833 10 0 DHAELO CC(C)n1cc[nH+]c1CNc1cc(Cl)ccc1-n1cccn1 ZINC000124137830 520030803 /nfs/dbraw/zinc/03/08/03/520030803.db2.gz UWCGEZSCFOECNC-UHFFFAOYSA-N 1 2 315.808 3.915 10 0 DHAELO CCCn1c(C)nnc1C[N@@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000159299693 521622706 /nfs/dbraw/zinc/62/27/06/521622706.db2.gz UCYPPMRHQHJJAX-INIZCTEOSA-N 1 2 316.449 3.879 10 0 DHAELO CCCn1c(C)nnc1C[N@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000159299693 521622708 /nfs/dbraw/zinc/62/27/08/521622708.db2.gz UCYPPMRHQHJJAX-INIZCTEOSA-N 1 2 316.449 3.879 10 0 DHAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CC)c1ccccc1F ZINC000180744592 522519585 /nfs/dbraw/zinc/51/95/85/522519585.db2.gz VSKZSWPCVDUGDR-HUUCEWRRSA-N 1 2 302.397 3.555 10 0 DHAELO CCn1c(C[NH2+][C@@H](C)c2ccc(C)o2)nc2c1cccc2F ZINC000182571570 523197094 /nfs/dbraw/zinc/19/70/94/523197094.db2.gz POFOPXYZLQRHQT-LBPRGKRZSA-N 1 2 301.365 3.948 10 0 DHAELO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1O ZINC000127665811 524026980 /nfs/dbraw/zinc/02/69/80/524026980.db2.gz GIPBXPAUKSIBCR-ZDUSSCGKSA-N 1 2 304.415 3.585 10 0 DHAELO COc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1O ZINC000127665811 524026982 /nfs/dbraw/zinc/02/69/82/524026982.db2.gz GIPBXPAUKSIBCR-ZDUSSCGKSA-N 1 2 304.415 3.585 10 0 DHAELO C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000191630321 525018295 /nfs/dbraw/zinc/01/82/95/525018295.db2.gz AAHYZAYSEHQQSZ-CXAGYDPISA-N 1 2 312.369 3.628 10 0 DHAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)c(C)c3)no2)o1 ZINC000182564210 525736663 /nfs/dbraw/zinc/73/66/63/525736663.db2.gz JGMVDYNLYOTJMZ-GFCCVEGCSA-N 1 2 315.348 3.936 10 0 DHAELO CSc1ccc(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000157070995 525990892 /nfs/dbraw/zinc/99/08/92/525990892.db2.gz XLBGRIOTGUOJJB-OAHLLOKOSA-N 1 2 320.483 3.747 10 0 DHAELO CSc1ccc(C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000157070995 525990902 /nfs/dbraw/zinc/99/09/02/525990902.db2.gz XLBGRIOTGUOJJB-OAHLLOKOSA-N 1 2 320.483 3.747 10 0 DHAELO c1nnc([C@H]2CCCC[N@H+]2CCOc2cccc3ccccc32)[nH]1 ZINC000182684133 526604646 /nfs/dbraw/zinc/60/46/46/526604646.db2.gz VRDQPXKIUQWFEM-QGZVFWFLSA-N 1 2 322.412 3.564 10 0 DHAELO c1nnc([C@H]2CCCC[N@@H+]2CCOc2cccc3ccccc32)[nH]1 ZINC000182684133 526604654 /nfs/dbraw/zinc/60/46/54/526604654.db2.gz VRDQPXKIUQWFEM-QGZVFWFLSA-N 1 2 322.412 3.564 10 0 DHAELO Cc1oc2ccccc2c1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000129274983 526785534 /nfs/dbraw/zinc/78/55/34/526785534.db2.gz KFNOFHUJFJJYRH-INIZCTEOSA-N 1 2 314.410 3.771 10 0 DHAELO Cc1oc2ccccc2c1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000129274983 526785540 /nfs/dbraw/zinc/78/55/40/526785540.db2.gz KFNOFHUJFJJYRH-INIZCTEOSA-N 1 2 314.410 3.771 10 0 DHAELO Oc1ccc([NH2+]CCC(F)(F)C(F)(F)Br)cc1 ZINC000098211080 563544607 /nfs/dbraw/zinc/54/46/07/563544607.db2.gz RQLWGXWVAQWMEG-UHFFFAOYSA-N 1 2 316.092 3.817 10 0 DHAELO Cc1csc([C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)CCO2)n1 ZINC000092790176 185341197 /nfs/dbraw/zinc/34/11/97/185341197.db2.gz LVODNANHOYIOKT-INIZCTEOSA-N 1 2 302.443 3.642 10 0 DHAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)CCO2)n1 ZINC000092790176 185341198 /nfs/dbraw/zinc/34/11/98/185341198.db2.gz LVODNANHOYIOKT-INIZCTEOSA-N 1 2 302.443 3.642 10 0 DHAELO c1csc([C@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000092831403 185344638 /nfs/dbraw/zinc/34/46/38/185344638.db2.gz IUDIOEXFHQLUHU-CQSZACIVSA-N 1 2 316.451 3.931 10 0 DHAELO c1csc([C@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000092831403 185344639 /nfs/dbraw/zinc/34/46/39/185344639.db2.gz IUDIOEXFHQLUHU-CQSZACIVSA-N 1 2 316.451 3.931 10 0 DHAELO Cc1cccc2[nH+]c(CSC(=S)N3CCCCC3)cn21 ZINC000000506079 180809302 /nfs/dbraw/zinc/80/93/02/180809302.db2.gz OFWMRQFNBLEBSB-UHFFFAOYSA-N 1 2 305.472 3.647 10 0 DHAELO CCOc1cc(Br)c([C@@H]([NH3+])C2CC2)cc1OCC ZINC000003739463 181044675 /nfs/dbraw/zinc/04/46/75/181044675.db2.gz ANQLTPSUGOCDKS-AWEZNQCLSA-N 1 2 314.223 3.656 10 0 DHAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)Nc1ccc(F)cc1 ZINC000005238434 181220235 /nfs/dbraw/zinc/22/02/35/181220235.db2.gz QOAMBLGWPLGHMO-UHFFFAOYSA-N 1 2 311.360 3.938 10 0 DHAELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@@H+]1CC1=CCCOC1 ZINC000093364462 193240166 /nfs/dbraw/zinc/24/01/66/193240166.db2.gz QJTZYWOZKZLDLL-KRWDZBQOSA-N 1 2 321.848 3.839 10 0 DHAELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@H+]1CC1=CCCOC1 ZINC000093364462 193240167 /nfs/dbraw/zinc/24/01/67/193240167.db2.gz QJTZYWOZKZLDLL-KRWDZBQOSA-N 1 2 321.848 3.839 10 0 DHAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)N(C)C1CCCCC1 ZINC000040231385 183048618 /nfs/dbraw/zinc/04/86/18/183048618.db2.gz ZWPOLLHROMMKDH-UHFFFAOYSA-N 1 2 313.445 3.951 10 0 DHAELO CNc1nc[nH+]c(Nc2ccc(Oc3ccccc3)cc2)c1N ZINC000040707152 183121075 /nfs/dbraw/zinc/12/10/75/183121075.db2.gz GKXLLXASDKDKFN-UHFFFAOYSA-N 1 2 307.357 3.636 10 0 DHAELO CNc1[nH+]cnc(Nc2ccc(Oc3ccccc3)cc2)c1N ZINC000040707152 183121077 /nfs/dbraw/zinc/12/10/77/183121077.db2.gz GKXLLXASDKDKFN-UHFFFAOYSA-N 1 2 307.357 3.636 10 0 DHAELO Nc1c(Nc2ccc(Cl)cc2)[nH+]cnc1N1CCCCCC1 ZINC000040725519 183124925 /nfs/dbraw/zinc/12/49/25/183124925.db2.gz SSSWVIXLKYXWBQ-UHFFFAOYSA-N 1 2 317.824 3.836 10 0 DHAELO Nc1c(Nc2ccc(Cl)cc2)nc[nH+]c1N1CCCCCC1 ZINC000040725519 183124929 /nfs/dbraw/zinc/12/49/29/183124929.db2.gz SSSWVIXLKYXWBQ-UHFFFAOYSA-N 1 2 317.824 3.836 10 0 DHAELO Brc1ccccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000042251460 183246569 /nfs/dbraw/zinc/24/65/69/183246569.db2.gz UKZXNGOJQJGLJB-GJZGRUSLSA-N 1 2 310.235 3.593 10 0 DHAELO Brc1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000042251460 183246570 /nfs/dbraw/zinc/24/65/70/183246570.db2.gz UKZXNGOJQJGLJB-GJZGRUSLSA-N 1 2 310.235 3.593 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)c1ccc(F)cc1F)C2 ZINC000106372473 194202073 /nfs/dbraw/zinc/20/20/73/194202073.db2.gz RFVORISVVSCVLH-GFCCVEGCSA-N 1 2 319.399 3.941 10 0 DHAELO Cc1[nH+]c(-c2ccc(Br)cc2)nc(N)c1C(C)C ZINC000061687325 184182754 /nfs/dbraw/zinc/18/27/54/184182754.db2.gz FSNQOGAARCIUQP-UHFFFAOYSA-N 1 2 306.207 3.920 10 0 DHAELO Cc1ccccc1[C@H](C)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069378070 184510969 /nfs/dbraw/zinc/51/09/69/184510969.db2.gz FFBAXBAPYUILLK-HNNXBMFYSA-N 1 2 322.412 3.512 10 0 DHAELO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979378 332098958 /nfs/dbraw/zinc/09/89/58/332098958.db2.gz UPZGOEGZWOFNQL-OALUTQOASA-N 1 2 318.436 3.569 10 0 DHAELO Fc1cccc(N2CCCC2)c1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979378 332098959 /nfs/dbraw/zinc/09/89/59/332098959.db2.gz UPZGOEGZWOFNQL-OALUTQOASA-N 1 2 318.436 3.569 10 0 DHAELO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000179688134 333154582 /nfs/dbraw/zinc/15/45/82/333154582.db2.gz ZANGGZYOERPFDD-KRWDZBQOSA-N 1 2 307.401 3.527 10 0 DHAELO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000179688134 333154583 /nfs/dbraw/zinc/15/45/83/333154583.db2.gz ZANGGZYOERPFDD-KRWDZBQOSA-N 1 2 307.401 3.527 10 0 DHAELO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179688134 333154585 /nfs/dbraw/zinc/15/45/85/333154585.db2.gz ZANGGZYOERPFDD-KRWDZBQOSA-N 1 2 307.401 3.527 10 0 DHAELO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179688134 333154587 /nfs/dbraw/zinc/15/45/87/333154587.db2.gz ZANGGZYOERPFDD-KRWDZBQOSA-N 1 2 307.401 3.527 10 0 DHAELO CC1(C)CCCC[C@@H]1c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329635721 336020951 /nfs/dbraw/zinc/02/09/51/336020951.db2.gz XZLOAIJQOYCRBK-RRFJBIMHSA-N 1 2 319.449 3.679 10 0 DHAELO CC1(C)CCCC[C@@H]1c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329635721 336020953 /nfs/dbraw/zinc/02/09/53/336020953.db2.gz XZLOAIJQOYCRBK-RRFJBIMHSA-N 1 2 319.449 3.679 10 0 DHAELO CCn1c2ccccc2[nH+]c1CCNc1ncnc2ccccc21 ZINC000301075101 336288627 /nfs/dbraw/zinc/28/86/27/336288627.db2.gz GFHFLFMBDIZYQU-UHFFFAOYSA-N 1 2 317.396 3.654 10 0 DHAELO Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c2cccc(F)c2[nH+]1 ZINC000301680933 336323074 /nfs/dbraw/zinc/32/30/74/336323074.db2.gz RWVFBQXWYMYELI-FSPWUOQZSA-N 1 2 314.404 3.932 10 0 DHAELO CN(CCCn1cc[nH+]c1)c1ccc2c(Cl)ccnc2c1F ZINC000301698328 336324148 /nfs/dbraw/zinc/32/41/48/336324148.db2.gz OHSKLNALQHAGOZ-UHFFFAOYSA-N 1 2 318.783 3.750 10 0 DHAELO Cc1cc(N(CCO)Cc2ccsc2)c2cccc(F)c2[nH+]1 ZINC000301852140 336334097 /nfs/dbraw/zinc/33/40/97/336334097.db2.gz XMJVVJOLKOPVCK-UHFFFAOYSA-N 1 2 316.401 3.743 10 0 DHAELO COc1ccc([C@H]2C[C@H](C)N(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000301855442 336334432 /nfs/dbraw/zinc/33/44/32/336334432.db2.gz CUDMWAFNJLUUQI-ZFWWWQNUSA-N 1 2 307.397 3.954 10 0 DHAELO COc1ccc([C@H]2C[C@@H](C)N(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000301855438 336334450 /nfs/dbraw/zinc/33/44/50/336334450.db2.gz CUDMWAFNJLUUQI-HIFRSBDPSA-N 1 2 307.397 3.954 10 0 DHAELO COc1cc([C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)ccc1F ZINC000302111624 336348918 /nfs/dbraw/zinc/34/89/18/336348918.db2.gz UMSHHLUBGCVCAZ-NSHDSACASA-N 1 2 315.392 3.985 10 0 DHAELO Cc1nc(N[C@@H]2CCOC3(CCCC3)C2)c2c([nH+]1)CCCC2 ZINC000302124003 336349699 /nfs/dbraw/zinc/34/96/99/336349699.db2.gz ZBAMYTMJZRQFHK-CQSZACIVSA-N 1 2 301.434 3.568 10 0 DHAELO C[C@H](Nc1nc[nH+]c(N)c1Cl)c1ccc(F)c(Cl)c1 ZINC000302873056 336372679 /nfs/dbraw/zinc/37/26/79/336372679.db2.gz CHNCEDDBLAXMBV-LURJTMIESA-N 1 2 301.152 3.678 10 0 DHAELO C[C@H](Nc1[nH+]cnc(N)c1Cl)c1ccc(F)c(Cl)c1 ZINC000302873056 336372680 /nfs/dbraw/zinc/37/26/80/336372680.db2.gz CHNCEDDBLAXMBV-LURJTMIESA-N 1 2 301.152 3.678 10 0 DHAELO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000182931483 337190746 /nfs/dbraw/zinc/19/07/46/337190746.db2.gz MKAODLILIXWWBB-RHSMWYFYSA-N 1 2 308.381 3.726 10 0 DHAELO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000182931427 337190798 /nfs/dbraw/zinc/19/07/98/337190798.db2.gz MKAODLILIXWWBB-YOEHRIQHSA-N 1 2 308.381 3.726 10 0 DHAELO C[C@H]1C[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)CC(C)(C)C1 ZINC000183536022 337192229 /nfs/dbraw/zinc/19/22/29/337192229.db2.gz HVWPIZJYUCIVNY-LSDHHAIUSA-N 1 2 303.450 3.509 10 0 DHAELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1ccc(C(F)F)cc1 ZINC000185530234 337248879 /nfs/dbraw/zinc/24/88/79/337248879.db2.gz IJWNLTBNFXSZOE-NRFANRHFSA-N 1 2 312.385 3.851 10 0 DHAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1csc(Cl)c1 ZINC000191317445 337295892 /nfs/dbraw/zinc/29/58/92/337295892.db2.gz WTOBZONEUSYHMP-NXEZZACHSA-N 1 2 310.854 3.741 10 0 DHAELO COc1ccc([NH2+][C@H]2CCCC[C@H]2C(=O)N2CCCCC2)cc1 ZINC000584606283 337371676 /nfs/dbraw/zinc/37/16/76/337371676.db2.gz RNRFPCCSPSLMPE-MSOLQXFVSA-N 1 2 316.445 3.678 10 0 DHAELO COCCCOc1cc2c(cc1OC)C=[NH+][C@@H](C(C)(C)C)C2 ZINC000584606147 337371698 /nfs/dbraw/zinc/37/16/98/337371698.db2.gz GZAXORCUMWRYRG-QGZVFWFLSA-N 1 2 305.418 3.500 10 0 DHAELO COc1ccc([NH2+][C@@H]2CCCC[C@H]2C(=O)N2CCCCC2)cc1 ZINC000584606284 337371709 /nfs/dbraw/zinc/37/17/09/337371709.db2.gz RNRFPCCSPSLMPE-QZTJIDSGSA-N 1 2 316.445 3.678 10 0 DHAELO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000125338678 337411045 /nfs/dbraw/zinc/41/10/45/337411045.db2.gz JINRXOHITHLLIP-VDHUWJSZSA-N 1 2 315.461 3.509 10 0 DHAELO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1F ZINC000130892508 337434867 /nfs/dbraw/zinc/43/48/67/337434867.db2.gz XXFKVMFKIINOHR-ABAIWWIYSA-N 1 2 320.387 3.695 10 0 DHAELO CCc1nnc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1C ZINC000195007515 337464546 /nfs/dbraw/zinc/46/45/46/337464546.db2.gz JEDNXZRTWNTIQR-UHFFFAOYSA-N 1 2 320.440 3.580 10 0 DHAELO CO[C@H](C)c1cccc(N[C@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000195108523 337465340 /nfs/dbraw/zinc/46/53/40/337465340.db2.gz CVFJVXNJECUFST-DYVFJYSZSA-N 1 2 308.385 3.714 10 0 DHAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccccc1Cl ZINC000088559539 337862383 /nfs/dbraw/zinc/86/23/83/337862383.db2.gz ANVIGCKMODUYOX-RISCZKNCSA-N 1 2 304.825 3.680 10 0 DHAELO CC(C)c1nn(C)c(Cl)c1CN1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000092729366 337907511 /nfs/dbraw/zinc/90/75/11/337907511.db2.gz WVLZDNHYYSTBJU-CYBMUJFWSA-N 1 2 321.856 3.647 10 0 DHAELO C[C@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CCS1 ZINC000084677616 338003625 /nfs/dbraw/zinc/00/36/25/338003625.db2.gz FBHHAXZRNUAMGZ-AWEZNQCLSA-N 1 2 318.511 3.866 10 0 DHAELO C[C@H]1C[N@@H+](Cc2csc(CCc3ccccc3)n2)CCS1 ZINC000084677616 338003626 /nfs/dbraw/zinc/00/36/26/338003626.db2.gz FBHHAXZRNUAMGZ-AWEZNQCLSA-N 1 2 318.511 3.866 10 0 DHAELO CCC(CC)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176469213 340427717 /nfs/dbraw/zinc/42/77/17/340427717.db2.gz XRNIUIOISCUTMT-AWEZNQCLSA-N 1 2 314.433 3.669 10 0 DHAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000248500344 341378933 /nfs/dbraw/zinc/37/89/33/341378933.db2.gz SOHKILYSGFWELB-MJBXVCDLSA-N 1 2 322.474 3.573 10 0 DHAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ncc(C(C)C)s1 ZINC000248500344 341378934 /nfs/dbraw/zinc/37/89/34/341378934.db2.gz SOHKILYSGFWELB-MJBXVCDLSA-N 1 2 322.474 3.573 10 0 DHAELO CCn1c(C)nnc1C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181614990 523157121 /nfs/dbraw/zinc/15/71/21/523157121.db2.gz WTVIYFNORCQVIM-MRXNPFEDSA-N 1 2 322.403 3.762 10 0 DHAELO C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000190786186 525014634 /nfs/dbraw/zinc/01/46/34/525014634.db2.gz YLUWZDFELILMPT-DYVFJYSZSA-N 1 2 312.369 3.628 10 0 DHAELO c1nnc([C@@H]2CCCC[N@H+]2CCOc2cccc3ccccc32)[nH]1 ZINC000182684153 526604094 /nfs/dbraw/zinc/60/40/94/526604094.db2.gz VRDQPXKIUQWFEM-KRWDZBQOSA-N 1 2 322.412 3.564 10 0 DHAELO c1nnc([C@@H]2CCCC[N@@H+]2CCOc2cccc3ccccc32)[nH]1 ZINC000182684153 526604100 /nfs/dbraw/zinc/60/41/00/526604100.db2.gz VRDQPXKIUQWFEM-KRWDZBQOSA-N 1 2 322.412 3.564 10 0 DHAELO Clc1ccccc1CCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182330741 526987373 /nfs/dbraw/zinc/98/73/73/526987373.db2.gz UYOYYIZVIAJISO-HNNXBMFYSA-N 1 2 304.825 3.618 10 0 DHAELO Clc1ccccc1CCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182330741 526987379 /nfs/dbraw/zinc/98/73/79/526987379.db2.gz UYOYYIZVIAJISO-HNNXBMFYSA-N 1 2 304.825 3.618 10 0 DHAELO Cn1c(C[N@@H+]2CCc3ccc(C(C)(C)C)cc3C2)nnc1C1CC1 ZINC000182247014 527057084 /nfs/dbraw/zinc/05/70/84/527057084.db2.gz YPYUTRNGSSKACC-UHFFFAOYSA-N 1 2 324.472 3.548 10 0 DHAELO Cn1c(C[N@H+]2CCc3ccc(C(C)(C)C)cc3C2)nnc1C1CC1 ZINC000182247014 527057091 /nfs/dbraw/zinc/05/70/91/527057091.db2.gz YPYUTRNGSSKACC-UHFFFAOYSA-N 1 2 324.472 3.548 10 0 DHAELO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccccc2)CC1 ZINC000226254231 563913368 /nfs/dbraw/zinc/91/33/68/563913368.db2.gz VZQNAJHDOMUPQM-UHFFFAOYSA-N 1 2 309.413 3.757 10 0 DHAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccccc2F)c1 ZINC000226254669 563913408 /nfs/dbraw/zinc/91/34/08/563913408.db2.gz LXMUUNAAYDBFHM-UHFFFAOYSA-N 1 2 313.376 3.651 10 0 DHAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000090225121 185287566 /nfs/dbraw/zinc/28/75/66/185287566.db2.gz OLMPMMKINQOZCA-DOMZBBRYSA-N 1 2 310.401 3.827 10 0 DHAELO CCc1ccc(C2=CC[N@H+](Cc3nnc(C4CC4)n3C)CC2)cc1 ZINC000093263002 193222253 /nfs/dbraw/zinc/22/22/53/193222253.db2.gz CKHJXFSSHFCCNC-UHFFFAOYSA-N 1 2 322.456 3.544 10 0 DHAELO CCc1ccc(C2=CC[N@@H+](Cc3nnc(C4CC4)n3C)CC2)cc1 ZINC000093263002 193222255 /nfs/dbraw/zinc/22/22/55/193222255.db2.gz CKHJXFSSHFCCNC-UHFFFAOYSA-N 1 2 322.456 3.544 10 0 DHAELO C/C=C/C(=O)NCCCCCc1[nH+]c2ccccc2n1CCC ZINC000040219398 183047101 /nfs/dbraw/zinc/04/71/01/183047101.db2.gz ZTKZQYUEYJWUKP-XCVCLJGOSA-N 1 2 313.445 3.851 10 0 DHAELO CN(c1ccccc1)c1nc[nH+]c(NCc2ccc(F)cc2)c1N ZINC000040757896 183129892 /nfs/dbraw/zinc/12/98/92/183129892.db2.gz XVGVAQLUYVSHEL-UHFFFAOYSA-N 1 2 323.375 3.578 10 0 DHAELO CN(c1ccccc1)c1[nH+]cnc(NCc2ccc(F)cc2)c1N ZINC000040757896 183129893 /nfs/dbraw/zinc/12/98/93/183129893.db2.gz XVGVAQLUYVSHEL-UHFFFAOYSA-N 1 2 323.375 3.578 10 0 DHAELO Cc1cc(Br)cn2cc(Cc3ccccc3)[nH+]c12 ZINC000062431828 184236200 /nfs/dbraw/zinc/23/62/00/184236200.db2.gz FIIRUUNNHNWHGL-UHFFFAOYSA-N 1 2 301.187 3.996 10 0 DHAELO C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(Cl)s1 ZINC000170867683 332891887 /nfs/dbraw/zinc/89/18/87/332891887.db2.gz RGDWWWWWTZJZCY-VIFPVBQESA-N 1 2 305.790 3.540 10 0 DHAELO Cc1cc[nH+]c(NCC2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000557673066 331807847 /nfs/dbraw/zinc/80/78/47/331807847.db2.gz SFPHPMKEWHYBIQ-GHMZBOCLSA-N 1 2 313.239 3.768 10 0 DHAELO CC(C)N(C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000176380063 333112631 /nfs/dbraw/zinc/11/26/31/333112631.db2.gz KSFBNHVYUBRJDH-AWEZNQCLSA-N 1 2 312.417 3.516 10 0 DHAELO Cc1ccccc1[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccccc1 ZINC000187714830 334269386 /nfs/dbraw/zinc/26/93/86/334269386.db2.gz QDKBBKRCSVZYRD-LJQANCHMSA-N 1 2 320.392 3.566 10 0 DHAELO CC(C)Oc1cncc(N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000125899722 334820471 /nfs/dbraw/zinc/82/04/71/334820471.db2.gz RLMJTGFEOPDYIP-CQSZACIVSA-N 1 2 323.400 3.623 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(Br)c2F)o1 ZINC000395025926 335644659 /nfs/dbraw/zinc/64/46/59/335644659.db2.gz UKZZEJCFPMCWEK-VIFPVBQESA-N 1 2 313.170 3.735 10 0 DHAELO Brc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000043678526 336270633 /nfs/dbraw/zinc/27/06/33/336270633.db2.gz ROBIAHQOOFDVPX-RYUDHWBXSA-N 1 2 316.264 3.654 10 0 DHAELO Brc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000043678526 336270634 /nfs/dbraw/zinc/27/06/34/336270634.db2.gz ROBIAHQOOFDVPX-RYUDHWBXSA-N 1 2 316.264 3.654 10 0 DHAELO CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301401113 336304487 /nfs/dbraw/zinc/30/44/87/336304487.db2.gz BZCQGSCZNNWIPB-GJZGRUSLSA-N 1 2 322.408 3.814 10 0 DHAELO CCS[C@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000301667864 336322177 /nfs/dbraw/zinc/32/21/77/336322177.db2.gz MJTHKMNZYIPFCN-DOTOQJQBSA-N 1 2 320.433 3.741 10 0 DHAELO Cc1nc(N[C@@H]2CCO[C@@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302123215 336349554 /nfs/dbraw/zinc/34/95/54/336349554.db2.gz YSEXVNCATDKDBB-QZTJIDSGSA-N 1 2 309.413 3.606 10 0 DHAELO Cc1cc(F)cc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173922189 337137597 /nfs/dbraw/zinc/13/75/97/337137597.db2.gz URIOMZRLSQTJBZ-AWEZNQCLSA-N 1 2 323.371 3.811 10 0 DHAELO Cc1oncc1C[N@@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000181698255 337183737 /nfs/dbraw/zinc/18/37/37/337183737.db2.gz UBFXDYNOSMNPSS-INIZCTEOSA-N 1 2 320.820 3.989 10 0 DHAELO Cc1oncc1C[N@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000181698255 337183738 /nfs/dbraw/zinc/18/37/38/337183738.db2.gz UBFXDYNOSMNPSS-INIZCTEOSA-N 1 2 320.820 3.989 10 0 DHAELO COCc1nc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000182787126 337189832 /nfs/dbraw/zinc/18/98/32/337189832.db2.gz SNIGNFKNKHMWAR-CQSZACIVSA-N 1 2 323.396 3.734 10 0 DHAELO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000184660866 337199760 /nfs/dbraw/zinc/19/97/60/337199760.db2.gz VNWNFSXODNFWMO-GHMZBOCLSA-N 1 2 322.815 3.819 10 0 DHAELO C[C@H]([NH2+]Cc1noc(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000189189860 337277282 /nfs/dbraw/zinc/27/72/82/337277282.db2.gz CKZCKDQZPVLJEC-VIFPVBQESA-N 1 2 321.352 3.927 10 0 DHAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1csc(Cl)c1 ZINC000191317409 337295912 /nfs/dbraw/zinc/29/59/12/337295912.db2.gz WTOBZONEUSYHMP-UWVGGRQHSA-N 1 2 310.854 3.741 10 0 DHAELO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccco3)n2)cc1 ZINC000116293298 337392442 /nfs/dbraw/zinc/39/24/42/337392442.db2.gz OHQVZCJAAUTMMF-AWEZNQCLSA-N 1 2 313.332 3.806 10 0 DHAELO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccco3)n2)cc1 ZINC000116293298 337392443 /nfs/dbraw/zinc/39/24/43/337392443.db2.gz OHQVZCJAAUTMMF-AWEZNQCLSA-N 1 2 313.332 3.806 10 0 DHAELO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116288774 337392545 /nfs/dbraw/zinc/39/25/45/337392545.db2.gz MVQOWZAHNPBMLI-OAHLLOKOSA-N 1 2 316.426 3.777 10 0 DHAELO CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116288774 337392546 /nfs/dbraw/zinc/39/25/46/337392546.db2.gz MVQOWZAHNPBMLI-OAHLLOKOSA-N 1 2 316.426 3.777 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(Cl)s1 ZINC000130870913 337434848 /nfs/dbraw/zinc/43/48/48/337434848.db2.gz OSLGBSFTJREXGK-ZJUUUORDSA-N 1 2 310.854 3.741 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000123353327 340748587 /nfs/dbraw/zinc/74/85/87/340748587.db2.gz MBJDEOONKOXPQP-UHFFFAOYSA-N 1 2 321.827 3.894 10 0 DHAELO Fc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)ccc1OC(F)F ZINC000245542544 341300979 /nfs/dbraw/zinc/30/09/79/341300979.db2.gz PZESPBWGPVAOQI-HIFRSBDPSA-N 1 2 315.335 3.571 10 0 DHAELO Fc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)ccc1OC(F)F ZINC000245542544 341300980 /nfs/dbraw/zinc/30/09/80/341300980.db2.gz PZESPBWGPVAOQI-HIFRSBDPSA-N 1 2 315.335 3.571 10 0 DHAELO Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245685872 341309335 /nfs/dbraw/zinc/30/93/35/341309335.db2.gz AGXMQKCMBSBDPR-QAPCUYQASA-N 1 2 321.342 3.720 10 0 DHAELO Cc1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245685872 341309336 /nfs/dbraw/zinc/30/93/36/341309336.db2.gz AGXMQKCMBSBDPR-QAPCUYQASA-N 1 2 321.342 3.720 10 0 DHAELO CC(C)(C)n1cc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cn1 ZINC000127738024 519154392 /nfs/dbraw/zinc/15/43/92/519154392.db2.gz HERGYGOWJIQHDO-CQSZACIVSA-N 1 2 304.463 3.822 10 0 DHAELO CC(C)(C)n1cc(C[N@H+]2CCCC[C@@H]2c2nccs2)cn1 ZINC000127738024 519154397 /nfs/dbraw/zinc/15/43/97/519154397.db2.gz HERGYGOWJIQHDO-CQSZACIVSA-N 1 2 304.463 3.822 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)c1nc3ccccc3o1)C2 ZINC000181103178 519868763 /nfs/dbraw/zinc/86/87/63/519868763.db2.gz VHAGFQSDXFKSOL-ZDUSSCGKSA-N 1 2 324.428 3.804 10 0 DHAELO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000182608204 523488262 /nfs/dbraw/zinc/48/82/62/523488262.db2.gz BVKMVYQCIKBPIF-OLZOCXBDSA-N 1 2 317.433 3.925 10 0 DHAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Cl)cc1Cl ZINC000176687878 525564049 /nfs/dbraw/zinc/56/40/49/525564049.db2.gz DHYYYVFYKFLBMA-TVQRCGJNSA-N 1 2 311.216 3.771 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1cccc(-n2ccnc2)c1 ZINC000180661876 525621730 /nfs/dbraw/zinc/62/17/30/525621730.db2.gz NHVKPGQVJIFFAT-OLZOCXBDSA-N 1 2 323.400 3.545 10 0 DHAELO CSc1ccc(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000157070849 525994155 /nfs/dbraw/zinc/99/41/55/525994155.db2.gz XLBGRIOTGUOJJB-HNNXBMFYSA-N 1 2 320.483 3.747 10 0 DHAELO CSc1ccc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000157070849 525994167 /nfs/dbraw/zinc/99/41/67/525994167.db2.gz XLBGRIOTGUOJJB-HNNXBMFYSA-N 1 2 320.483 3.747 10 0 DHAELO Clc1ccccc1CCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000181866198 526987861 /nfs/dbraw/zinc/98/78/61/526987861.db2.gz JTDDCXVMDJUHCZ-OAHLLOKOSA-N 1 2 322.861 3.803 10 0 DHAELO Clc1ccccc1CCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000181866198 526987864 /nfs/dbraw/zinc/98/78/64/526987864.db2.gz JTDDCXVMDJUHCZ-OAHLLOKOSA-N 1 2 322.861 3.803 10 0 DHAELO CN(C)C[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000119949334 535955528 /nfs/dbraw/zinc/95/55/28/535955528.db2.gz UDUXJTTYOKVGRB-KRWDZBQOSA-N 1 2 306.812 3.872 10 0 DHAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccccc1F ZINC000226261208 563913198 /nfs/dbraw/zinc/91/31/98/563913198.db2.gz FJMSTJLYFNTBIQ-UHFFFAOYSA-N 1 2 301.365 3.506 10 0 DHAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000226255017 563913458 /nfs/dbraw/zinc/91/34/58/563913458.db2.gz ZEJZVKOJXSQSLZ-UHFFFAOYSA-N 1 2 313.376 3.651 10 0 DHAELO Cc1ccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)o1 ZINC000093864730 1032562330 /nfs/dbraw/zinc/56/23/30/1032562330.db2.gz JACJFORUTUDWFC-GOSISDBHSA-N 1 2 323.396 3.552 10 0 DHAELO Cc1ccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)o1 ZINC000093864730 1032562334 /nfs/dbraw/zinc/56/23/34/1032562334.db2.gz JACJFORUTUDWFC-GOSISDBHSA-N 1 2 323.396 3.552 10 0 DHAELO Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)n1 ZINC000088594638 185258755 /nfs/dbraw/zinc/25/87/55/185258755.db2.gz PVAJWEFLQUNLNI-OAHLLOKOSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1csc(C[N@H+]2C[C@H](c3ccccc3)OCC2(C)C)n1 ZINC000088594638 185258756 /nfs/dbraw/zinc/25/87/56/185258756.db2.gz PVAJWEFLQUNLNI-OAHLLOKOSA-N 1 2 302.443 3.804 10 0 DHAELO CC(=O)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)CC(C)C ZINC000006689492 181370871 /nfs/dbraw/zinc/37/08/71/181370871.db2.gz SRJGRLNJHDSIDT-UHFFFAOYSA-N 1 2 319.836 3.589 10 0 DHAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)Nc1ccccc1F ZINC000040295912 183053042 /nfs/dbraw/zinc/05/30/42/183053042.db2.gz QMPVNVMNUAURCV-UHFFFAOYSA-N 1 2 309.344 3.692 10 0 DHAELO Cc1ccc(Nc2[nH+]cnc(NC(C)(C)C)c2N)cc1Cl ZINC000040680400 183117272 /nfs/dbraw/zinc/11/72/72/183117272.db2.gz BVDDFRMAZCSPEV-UHFFFAOYSA-N 1 2 305.813 3.975 10 0 DHAELO Cc1ccc(Nc2nc[nH+]c(NC(C)(C)C)c2N)cc1Cl ZINC000040680400 183117275 /nfs/dbraw/zinc/11/72/75/183117275.db2.gz BVDDFRMAZCSPEV-UHFFFAOYSA-N 1 2 305.813 3.975 10 0 DHAELO CCCNc1[nH+]cnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703950 183120316 /nfs/dbraw/zinc/12/03/16/183120316.db2.gz KTNSEYNGVSHMNI-UHFFFAOYSA-N 1 2 312.204 3.931 10 0 DHAELO CCCNc1nc[nH+]c(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703950 183120318 /nfs/dbraw/zinc/12/03/18/183120318.db2.gz KTNSEYNGVSHMNI-UHFFFAOYSA-N 1 2 312.204 3.931 10 0 DHAELO CC(C)Nc1[nH+]cnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040708145 183120719 /nfs/dbraw/zinc/12/07/19/183120719.db2.gz OXVJNRJEMSKYQI-UHFFFAOYSA-N 1 2 312.204 3.930 10 0 DHAELO CC(C)CCNc1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040797827 183135270 /nfs/dbraw/zinc/13/52/70/183135270.db2.gz NSIGQSPAICMRKS-UHFFFAOYSA-N 1 2 307.348 3.539 10 0 DHAELO CC(C)CCNc1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040797827 183135272 /nfs/dbraw/zinc/13/52/72/183135272.db2.gz NSIGQSPAICMRKS-UHFFFAOYSA-N 1 2 307.348 3.539 10 0 DHAELO Nc1c(NCc2ccco2)nc[nH+]c1Nc1ccc(Cl)cc1 ZINC000040761285 183130087 /nfs/dbraw/zinc/13/00/87/183130087.db2.gz MYAASUBSPLVBBH-UHFFFAOYSA-N 1 2 315.764 3.661 10 0 DHAELO Nc1c(Nc2ccc(Cl)cc2)nc[nH+]c1NCc1ccco1 ZINC000040761285 183130090 /nfs/dbraw/zinc/13/00/90/183130090.db2.gz MYAASUBSPLVBBH-UHFFFAOYSA-N 1 2 315.764 3.661 10 0 DHAELO CCOc1ccccc1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106370990 194203029 /nfs/dbraw/zinc/20/30/29/194203029.db2.gz RDDXJUAINQHTPY-UHFFFAOYSA-N 1 2 313.445 3.501 10 0 DHAELO CCOc1ccccc1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106370990 194203031 /nfs/dbraw/zinc/20/30/31/194203031.db2.gz RDDXJUAINQHTPY-UHFFFAOYSA-N 1 2 313.445 3.501 10 0 DHAELO CCOc1ccccc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106370990 194203033 /nfs/dbraw/zinc/20/30/33/194203033.db2.gz RDDXJUAINQHTPY-UHFFFAOYSA-N 1 2 313.445 3.501 10 0 DHAELO Nc1ccc(C[NH+]2Cc3ccccc3C2)c(Br)c1 ZINC000050909995 183807199 /nfs/dbraw/zinc/80/71/99/183807199.db2.gz KEJRBUAHLGDZNZ-UHFFFAOYSA-N 1 2 303.203 3.547 10 0 DHAELO C[NH+](C)c1ccc(NCc2ccc(O)c(Br)c2)cc1 ZINC000062702024 184248037 /nfs/dbraw/zinc/24/80/37/184248037.db2.gz GFWIEFQKUKIREQ-UHFFFAOYSA-N 1 2 321.218 3.833 10 0 DHAELO CC(C)c1ccc([C@@H](C)[NH2+]Cc2nsc(N(C)C)n2)cc1 ZINC000178494367 333013541 /nfs/dbraw/zinc/01/35/41/333013541.db2.gz PZGBOFGCNYFFCM-GFCCVEGCSA-N 1 2 304.463 3.578 10 0 DHAELO FC(F)(F)[C@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000178571368 333015704 /nfs/dbraw/zinc/01/57/04/333015704.db2.gz IDKIMHVBNZPQRZ-NSHDSACASA-N 1 2 303.328 3.502 10 0 DHAELO FC(F)(F)[C@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000178571368 333015706 /nfs/dbraw/zinc/01/57/06/333015706.db2.gz IDKIMHVBNZPQRZ-NSHDSACASA-N 1 2 303.328 3.502 10 0 DHAELO Cn1c(C[N@H+](Cc2ccc(F)cc2)C(C)(C)C)nnc1C1CC1 ZINC000177868671 333132759 /nfs/dbraw/zinc/13/27/59/333132759.db2.gz XUWAFXUGQAPREI-UHFFFAOYSA-N 1 2 316.424 3.632 10 0 DHAELO Cn1c(C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)nnc1C1CC1 ZINC000177868671 333132760 /nfs/dbraw/zinc/13/27/60/333132760.db2.gz XUWAFXUGQAPREI-UHFFFAOYSA-N 1 2 316.424 3.632 10 0 DHAELO CO[C@@H]1CCC[C@@H](Nc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000301775872 336328985 /nfs/dbraw/zinc/32/89/85/336328985.db2.gz LGQDCWFYNOEFTM-HZPDHXFCSA-N 1 2 312.417 3.525 10 0 DHAELO C[C@H]1C[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCS1 ZINC000171686604 337088577 /nfs/dbraw/zinc/08/85/77/337088577.db2.gz OWRWJACOLRLKIC-VIFPVBQESA-N 1 2 316.257 3.578 10 0 DHAELO C[C@H]1C[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CCS1 ZINC000171686604 337088578 /nfs/dbraw/zinc/08/85/78/337088578.db2.gz OWRWJACOLRLKIC-VIFPVBQESA-N 1 2 316.257 3.578 10 0 DHAELO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)c1nnc2n1CCCC2 ZINC000173627597 337136996 /nfs/dbraw/zinc/13/69/96/337136996.db2.gz HKCFKYBAQIVAFM-GHMZBOCLSA-N 1 2 322.815 3.819 10 0 DHAELO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2nnc(C3CC3)n2C)o1 ZINC000174435812 337141948 /nfs/dbraw/zinc/14/19/48/337141948.db2.gz CDCJHXQRBWTZFU-IUODEOHRSA-N 1 2 314.433 3.567 10 0 DHAELO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2nnc(C3CC3)n2C)o1 ZINC000174435812 337141949 /nfs/dbraw/zinc/14/19/49/337141949.db2.gz CDCJHXQRBWTZFU-IUODEOHRSA-N 1 2 314.433 3.567 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(F)c(Br)c2)o1 ZINC000220925109 337167123 /nfs/dbraw/zinc/16/71/23/337167123.db2.gz HAILQCWFKLNRDG-VIFPVBQESA-N 1 2 313.170 3.735 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Br)c(C)c2)o1 ZINC000231525787 337277279 /nfs/dbraw/zinc/27/72/79/337277279.db2.gz OIPHQSDWGORLJP-LLVKDONJSA-N 1 2 309.207 3.905 10 0 DHAELO Cc1cc(N2CCC[C@@H]2c2ccco2)nc(-c2ccncc2)[nH+]1 ZINC000116263035 337392599 /nfs/dbraw/zinc/39/25/99/337392599.db2.gz CYLXPVDRYNRGQR-OAHLLOKOSA-N 1 2 306.369 3.782 10 0 DHAELO Cc1csc([C@@H]2CCCN(C(=O)Nc3cc[nH+]c(C)c3)C2)n1 ZINC000119918569 337395183 /nfs/dbraw/zinc/39/51/83/337395183.db2.gz ZHIJDBBVAYTBDI-CYBMUJFWSA-N 1 2 316.430 3.566 10 0 DHAELO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1F ZINC000130892302 337434919 /nfs/dbraw/zinc/43/49/19/337434919.db2.gz XXFKVMFKIINOHR-XHDPSFHLSA-N 1 2 320.387 3.695 10 0 DHAELO Cc1cc(F)ccc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000119156418 337854697 /nfs/dbraw/zinc/85/46/97/337854697.db2.gz GUHAJXANSTZHBC-CQSZACIVSA-N 1 2 323.371 3.811 10 0 DHAELO Fc1cccc(C[NH2+][C@H]2COc3ccccc32)c1Br ZINC000156762470 338383183 /nfs/dbraw/zinc/38/31/83/338383183.db2.gz LGRCEOQCYYDBAW-ZDUSSCGKSA-N 1 2 322.177 3.812 10 0 DHAELO C[C@H]1C[NH+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H](C)O1 ZINC000126927721 340839814 /nfs/dbraw/zinc/83/98/14/340839814.db2.gz OQHJHFTYWXGTHZ-UWVGGRQHSA-N 1 2 305.752 3.551 10 0 DHAELO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245545901 341300941 /nfs/dbraw/zinc/30/09/41/341300941.db2.gz UPZGOEGZWOFNQL-MOPGFXCFSA-N 1 2 318.436 3.569 10 0 DHAELO Fc1cccc(N2CCCC2)c1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245545901 341300942 /nfs/dbraw/zinc/30/09/42/341300942.db2.gz UPZGOEGZWOFNQL-MOPGFXCFSA-N 1 2 318.436 3.569 10 0 DHAELO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249318294 341396426 /nfs/dbraw/zinc/39/64/26/341396426.db2.gz PGGIGAKONKVFFK-KGLIPLIRSA-N 1 2 315.335 3.565 10 0 DHAELO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249318294 341396427 /nfs/dbraw/zinc/39/64/27/341396427.db2.gz PGGIGAKONKVFFK-KGLIPLIRSA-N 1 2 315.335 3.565 10 0 DHAELO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000249372841 341396740 /nfs/dbraw/zinc/39/67/40/341396740.db2.gz NQTKUFMSKOMFLQ-CABCVRRESA-N 1 2 318.244 3.528 10 0 DHAELO CC[C@](C)(O)C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000249372841 341396741 /nfs/dbraw/zinc/39/67/41/341396741.db2.gz NQTKUFMSKOMFLQ-CABCVRRESA-N 1 2 318.244 3.528 10 0 DHAELO CC(=O)Nc1ccc(Cl)cc1NCc1[nH+]ccn1C(C)C ZINC000124274155 519719513 /nfs/dbraw/zinc/71/95/13/519719513.db2.gz LNGQMTWHSFUHDX-UHFFFAOYSA-N 1 2 306.797 3.688 10 0 DHAELO CC(C)n1cc[nH+]c1C[S@](=O)CCCc1ccccc1Cl ZINC000181434659 520033721 /nfs/dbraw/zinc/03/37/21/520033721.db2.gz NNHCVNXFFVSKEP-OAQYLSRUSA-N 1 2 324.877 3.999 10 0 DHAELO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180746605 521625102 /nfs/dbraw/zinc/62/51/02/521625102.db2.gz UQCNCMNAEWGSDD-JTQLQIEISA-N 1 2 310.804 3.640 10 0 DHAELO CCc1nc(C2([NH2+]Cc3ccc(F)c(Cl)c3)CCCC2)no1 ZINC000161579835 522243130 /nfs/dbraw/zinc/24/31/30/522243130.db2.gz LSSSGTSSZIZWPW-UHFFFAOYSA-N 1 2 323.799 3.984 10 0 DHAELO COc1cc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc(OC)c1 ZINC000127669413 522372783 /nfs/dbraw/zinc/37/27/83/522372783.db2.gz JAJZVVPRZDTLML-MRXNPFEDSA-N 1 2 318.442 3.888 10 0 DHAELO COc1cc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc(OC)c1 ZINC000127669413 522372799 /nfs/dbraw/zinc/37/27/99/522372799.db2.gz JAJZVVPRZDTLML-MRXNPFEDSA-N 1 2 318.442 3.888 10 0 DHAELO CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1cccc(Cl)c1F ZINC000161880042 522718086 /nfs/dbraw/zinc/71/80/86/522718086.db2.gz FPMIAJLWGRXPSU-UONOGXRCSA-N 1 2 322.815 3.955 10 0 DHAELO COCc1noc(C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)n1 ZINC000180234466 523263657 /nfs/dbraw/zinc/26/36/57/523263657.db2.gz NPNGFYKIJTXIBQ-AWEZNQCLSA-N 1 2 323.396 3.734 10 0 DHAELO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000183007313 523270019 /nfs/dbraw/zinc/27/00/19/523270019.db2.gz DTVWAWUGIYGZMP-ZIAGYGMSSA-N 1 2 317.433 3.826 10 0 DHAELO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)n1 ZINC000181489200 523488106 /nfs/dbraw/zinc/48/81/06/523488106.db2.gz UOUTYMXYXDMRLC-STQMWFEESA-N 1 2 311.385 3.781 10 0 DHAELO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000181870320 523731072 /nfs/dbraw/zinc/73/10/72/523731072.db2.gz FSBPKWWSVLPIBX-SWLSCSKDSA-N 1 2 310.401 3.772 10 0 DHAELO CCc1cccc(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000188974204 524069412 /nfs/dbraw/zinc/06/94/12/524069412.db2.gz RQKYLHIHSXNDBM-MRXNPFEDSA-N 1 2 302.443 3.587 10 0 DHAELO CCc1cccc(C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000188974204 524069413 /nfs/dbraw/zinc/06/94/13/524069413.db2.gz RQKYLHIHSXNDBM-MRXNPFEDSA-N 1 2 302.443 3.587 10 0 DHAELO Cc1ccccc1[C@H](C)[NH2+]Cc1nc([C@H](C)OCC(C)C)no1 ZINC000181545327 525418587 /nfs/dbraw/zinc/41/85/87/525418587.db2.gz RBCXDDVHJQAICI-GJZGRUSLSA-N 1 2 317.433 3.962 10 0 DHAELO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000131429116 526397481 /nfs/dbraw/zinc/39/74/81/526397481.db2.gz BFFVCVJSGDDYFW-QWHCGFSZSA-N 1 2 303.406 3.825 10 0 DHAELO Clc1ccc(SCC[N@@H+]2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000182696068 526959557 /nfs/dbraw/zinc/95/95/57/526959557.db2.gz PUPXWLJLSCFRLL-AWEZNQCLSA-N 1 2 322.865 3.777 10 0 DHAELO Clc1ccc(SCC[N@H+]2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000182696068 526959561 /nfs/dbraw/zinc/95/95/61/526959561.db2.gz PUPXWLJLSCFRLL-AWEZNQCLSA-N 1 2 322.865 3.777 10 0 DHAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)/C=C/c1ccccc1 ZINC000226260440 563913206 /nfs/dbraw/zinc/91/32/06/563913206.db2.gz IMKOPQLAKHFAFI-JLHYYAGUSA-N 1 2 309.413 3.767 10 0 DHAELO Cc1ccccc1C(=O)Nc1cc(N)ccc1[NH+]1CCCCC1 ZINC000226254256 563913419 /nfs/dbraw/zinc/91/34/19/563913419.db2.gz JNVLSVWYNIERFY-UHFFFAOYSA-N 1 2 309.413 3.820 10 0 DHAELO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccccc1 ZINC000226254194 563913454 /nfs/dbraw/zinc/91/34/54/563913454.db2.gz WURILGTUCNJEHP-CQSZACIVSA-N 1 2 309.413 3.900 10 0 DHAELO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccccc1 ZINC000226254194 563913455 /nfs/dbraw/zinc/91/34/55/563913455.db2.gz WURILGTUCNJEHP-CQSZACIVSA-N 1 2 309.413 3.900 10 0 DHAELO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000069068836 1030543535 /nfs/dbraw/zinc/54/35/35/1030543535.db2.gz TUQAEFTWBSMWKI-ZIAGYGMSSA-N 1 2 318.442 3.698 10 0 DHAELO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000069068836 1030543542 /nfs/dbraw/zinc/54/35/42/1030543542.db2.gz TUQAEFTWBSMWKI-ZIAGYGMSSA-N 1 2 318.442 3.698 10 0 DHAELO Cc1csc([C@@H]2C[N@H+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CCO2)n1 ZINC000092790082 185341232 /nfs/dbraw/zinc/34/12/32/185341232.db2.gz UUUKKLSDKPZUHI-PEYYIBSZSA-N 1 2 318.442 3.741 10 0 DHAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CCO2)n1 ZINC000092790082 185341233 /nfs/dbraw/zinc/34/12/33/185341233.db2.gz UUUKKLSDKPZUHI-PEYYIBSZSA-N 1 2 318.442 3.741 10 0 DHAELO CC(C)[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1nc(C2CC2)no1 ZINC000089671134 192840056 /nfs/dbraw/zinc/84/00/56/192840056.db2.gz MFKFCOHWXQEWAC-DOMZBBRYSA-N 1 2 317.437 3.772 10 0 DHAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)Nc1cccc(F)c1 ZINC000040295652 183052559 /nfs/dbraw/zinc/05/25/59/183052559.db2.gz ZGLCZAYQTKZZLV-UHFFFAOYSA-N 1 2 311.360 3.938 10 0 DHAELO Cc1cc2[nH+]c(CCCO)n(CCc3ccccc3)c2cc1C ZINC000040311044 183053390 /nfs/dbraw/zinc/05/33/90/183053390.db2.gz MLNSHKWDMIGVEO-UHFFFAOYSA-N 1 2 308.425 3.821 10 0 DHAELO Cc1ccc(Cl)cc1Nc1[nH+]cnc(NC(C)(C)C)c1N ZINC000040680406 183117238 /nfs/dbraw/zinc/11/72/38/183117238.db2.gz RQZDHSLTZDCEJO-UHFFFAOYSA-N 1 2 305.813 3.975 10 0 DHAELO Cc1ccc(Cl)cc1Nc1nc[nH+]c(NC(C)(C)C)c1N ZINC000040680406 183117239 /nfs/dbraw/zinc/11/72/39/183117239.db2.gz RQZDHSLTZDCEJO-UHFFFAOYSA-N 1 2 305.813 3.975 10 0 DHAELO CCN(CC)c1[nH+]cnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040723199 183124827 /nfs/dbraw/zinc/12/48/27/183124827.db2.gz BBZTVEAJTNFFNN-UHFFFAOYSA-N 1 2 322.416 3.505 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)c1ccccc1F)C2 ZINC000106373904 194202234 /nfs/dbraw/zinc/20/22/34/194202234.db2.gz SOMCCSQLUGTUTA-ZDUSSCGKSA-N 1 2 301.409 3.802 10 0 DHAELO CCCn1cc[nH+]c1CNc1ccc(Br)c(C)c1 ZINC000061877297 184191976 /nfs/dbraw/zinc/19/19/76/184191976.db2.gz PZVGWBPKQWRVIS-UHFFFAOYSA-N 1 2 308.223 3.976 10 0 DHAELO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979379 332098769 /nfs/dbraw/zinc/09/87/69/332098769.db2.gz UPZGOEGZWOFNQL-RBUKOAKNSA-N 1 2 318.436 3.569 10 0 DHAELO Fc1cccc(N2CCCC2)c1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979379 332098770 /nfs/dbraw/zinc/09/87/70/332098770.db2.gz UPZGOEGZWOFNQL-RBUKOAKNSA-N 1 2 318.436 3.569 10 0 DHAELO Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000189014913 333060963 /nfs/dbraw/zinc/06/09/63/333060963.db2.gz PEYQAOHZNKBFBQ-QGZVFWFLSA-N 1 2 311.360 3.942 10 0 DHAELO Fc1ccccc1-n1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000189014913 333060965 /nfs/dbraw/zinc/06/09/65/333060965.db2.gz PEYQAOHZNKBFBQ-QGZVFWFLSA-N 1 2 311.360 3.942 10 0 DHAELO CCc1cc(N2C[C@@H]3CC=CC[C@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000301402123 336304514 /nfs/dbraw/zinc/30/45/14/336304514.db2.gz CULZZPOPYNRQDR-HOTGVXAUSA-N 1 2 306.413 3.503 10 0 DHAELO COc1cc([C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)ccc1F ZINC000302111623 336348935 /nfs/dbraw/zinc/34/89/35/336348935.db2.gz UMSHHLUBGCVCAZ-LLVKDONJSA-N 1 2 315.392 3.985 10 0 DHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000122814971 337026560 /nfs/dbraw/zinc/02/65/60/337026560.db2.gz IMKMEMJCTQOOQQ-MRXNPFEDSA-N 1 2 323.362 3.791 10 0 DHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000122814971 337026561 /nfs/dbraw/zinc/02/65/61/337026561.db2.gz IMKMEMJCTQOOQQ-MRXNPFEDSA-N 1 2 323.362 3.791 10 0 DHAELO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(Cl)c1 ZINC000171117109 337086878 /nfs/dbraw/zinc/08/68/78/337086878.db2.gz AAEBGMHYSFIYCH-JTQLQIEISA-N 1 2 303.749 3.834 10 0 DHAELO CCc1ccc([C@H]2CCCCN2C(=O)c2ccc3[nH+]ccn3c2)o1 ZINC000172669399 337129392 /nfs/dbraw/zinc/12/93/92/337129392.db2.gz VGPOFQGILLWBLP-MRXNPFEDSA-N 1 2 323.396 3.857 10 0 DHAELO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2nnc(CC)n2C)o1 ZINC000174447399 337142038 /nfs/dbraw/zinc/14/20/38/337142038.db2.gz KDGQPDOWEMUJNB-DZGCQCFKSA-N 1 2 316.449 3.506 10 0 DHAELO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2nnc(CC)n2C)o1 ZINC000174447399 337142039 /nfs/dbraw/zinc/14/20/39/337142039.db2.gz KDGQPDOWEMUJNB-DZGCQCFKSA-N 1 2 316.449 3.506 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(Br)cs2)o1 ZINC000220910339 337167066 /nfs/dbraw/zinc/16/70/66/337167066.db2.gz GOSMSBLTLVOIPT-MRVPVSSYSA-N 1 2 301.209 3.658 10 0 DHAELO COc1ccc(-c2nc(C[NH2+][C@H](C)c3cccs3)no2)cc1 ZINC000182551293 337188855 /nfs/dbraw/zinc/18/88/55/337188855.db2.gz DBHBGVIJHSRQDB-LLVKDONJSA-N 1 2 315.398 3.658 10 0 DHAELO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186563307 337257639 /nfs/dbraw/zinc/25/76/39/337257639.db2.gz FWNBQWVILNBECV-YJLNNSPDSA-N 1 2 311.429 3.732 10 0 DHAELO Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000189033620 337276537 /nfs/dbraw/zinc/27/65/37/337276537.db2.gz YUDOWOYHCQDLQO-AWEZNQCLSA-N 1 2 313.332 3.806 10 0 DHAELO Fc1ccccc1-c1noc(C[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000189033620 337276538 /nfs/dbraw/zinc/27/65/38/337276538.db2.gz YUDOWOYHCQDLQO-AWEZNQCLSA-N 1 2 313.332 3.806 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)c1nnc2n1CCCC2 ZINC000191317432 337295947 /nfs/dbraw/zinc/29/59/47/337295947.db2.gz WTOBZONEUSYHMP-VHSXEESVSA-N 1 2 310.854 3.741 10 0 DHAELO CCC1CCC(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000106538582 337387011 /nfs/dbraw/zinc/38/70/11/337387011.db2.gz VDFLONXSEDYVAS-NRXISQOPSA-N 1 2 304.438 3.615 10 0 DHAELO Cc1cnn([C@H]2CCC[N@H+](Cc3csc(C(C)(C)C)n3)C2)c1 ZINC000106221280 337387035 /nfs/dbraw/zinc/38/70/35/337387035.db2.gz BQOMXPIZUSQLJK-HNNXBMFYSA-N 1 2 318.490 3.783 10 0 DHAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3csc(C(C)(C)C)n3)C2)c1 ZINC000106221280 337387036 /nfs/dbraw/zinc/38/70/36/337387036.db2.gz BQOMXPIZUSQLJK-HNNXBMFYSA-N 1 2 318.490 3.783 10 0 DHAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)Nc1ccc(F)cc1Cl ZINC000116288538 337392434 /nfs/dbraw/zinc/39/24/34/337392434.db2.gz IKNVIASWFRXXCY-CQSZACIVSA-N 1 2 322.767 3.848 10 0 DHAELO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)Nc1ccc(F)cc1Cl ZINC000116288538 337392435 /nfs/dbraw/zinc/39/24/35/337392435.db2.gz IKNVIASWFRXXCY-CQSZACIVSA-N 1 2 322.767 3.848 10 0 DHAELO CC(C)C[C@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000080534518 337678405 /nfs/dbraw/zinc/67/84/05/337678405.db2.gz JXJIRMYZDNODIO-IRXDYDNUSA-N 1 2 311.429 3.664 10 0 DHAELO Fc1ccc(Br)c(F)c1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000500984307 340071421 /nfs/dbraw/zinc/07/14/21/340071421.db2.gz NOKUAVVDSTWWSM-PELKAZGASA-N 1 2 302.162 3.712 10 0 DHAELO Fc1ccc(Br)c(F)c1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000500984307 340071422 /nfs/dbraw/zinc/07/14/22/340071422.db2.gz NOKUAVVDSTWWSM-PELKAZGASA-N 1 2 302.162 3.712 10 0 DHAELO C[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470982 341207981 /nfs/dbraw/zinc/20/79/81/341207981.db2.gz SQBKVFWNABYNQN-JKSUJKDBSA-N 1 2 324.428 3.589 10 0 DHAELO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245685879 341309391 /nfs/dbraw/zinc/30/93/91/341309391.db2.gz AGXMQKCMBSBDPR-YJBOKZPZSA-N 1 2 321.342 3.720 10 0 DHAELO Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245685879 341309392 /nfs/dbraw/zinc/30/93/92/341309392.db2.gz AGXMQKCMBSBDPR-YJBOKZPZSA-N 1 2 321.342 3.720 10 0 DHAELO CC[C@H](C)[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247479015 341365628 /nfs/dbraw/zinc/36/56/28/341365628.db2.gz UHABKRHPXOOLEC-RRFJBIMHSA-N 1 2 314.433 3.667 10 0 DHAELO CCc1nc(C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)no1 ZINC000181734515 522353246 /nfs/dbraw/zinc/35/32/46/522353246.db2.gz FNJNOPLDIQVKPJ-CQSZACIVSA-N 1 2 317.433 3.908 10 0 DHAELO CCc1nnc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)n1C ZINC000181620783 522743693 /nfs/dbraw/zinc/74/36/93/522743693.db2.gz PEFRMLMNBWSQGU-INIZCTEOSA-N 1 2 322.403 3.533 10 0 DHAELO CCc1nnc(C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)n1C ZINC000180260925 522743994 /nfs/dbraw/zinc/74/39/94/522743994.db2.gz NOMLDLYUXXPYQU-MRXNPFEDSA-N 1 2 324.831 3.657 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ncnn2CC(C)C)o1 ZINC000182808428 525805698 /nfs/dbraw/zinc/80/56/98/525805698.db2.gz NJXLNANLXHABOF-HNNXBMFYSA-N 1 2 302.422 3.563 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ncnn2CC(C)C)o1 ZINC000182808428 525805705 /nfs/dbraw/zinc/80/57/05/525805705.db2.gz NJXLNANLXHABOF-HNNXBMFYSA-N 1 2 302.422 3.563 10 0 DHAELO Cc1ccc([C@H]2CCCCN2C(=O)Cc2cn3ccccc3[nH+]2)o1 ZINC000127667770 525991487 /nfs/dbraw/zinc/99/14/87/525991487.db2.gz SQCBDHMJJHYTNT-MRXNPFEDSA-N 1 2 323.396 3.532 10 0 DHAELO Cc1nnc(C[NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181737793 526343794 /nfs/dbraw/zinc/34/37/94/526343794.db2.gz QFSXHGGBESSIQR-ZDUSSCGKSA-N 1 2 303.406 3.654 10 0 DHAELO Brc1cc2c(s1)CC[C@@H]2[NH2+]Cc1cscn1 ZINC000309234748 526636777 /nfs/dbraw/zinc/63/67/77/526636777.db2.gz LJEUNJJZRKQYAF-VIFPVBQESA-N 1 2 315.261 3.744 10 0 DHAELO Nc1nc(N)c2c(cccc2Sc2cccc(Cl)c2)[nH+]1 ZINC000005974038 181302908 /nfs/dbraw/zinc/30/29/08/181302908.db2.gz FCFUYRIXCSKRSN-UHFFFAOYSA-N 1 2 302.790 3.599 10 0 DHAELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@@H+]1CC1=CCCOC1 ZINC000093364463 193239154 /nfs/dbraw/zinc/23/91/54/193239154.db2.gz QJTZYWOZKZLDLL-QGZVFWFLSA-N 1 2 321.848 3.839 10 0 DHAELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@H+]1CC1=CCCOC1 ZINC000093364463 193239156 /nfs/dbraw/zinc/23/91/56/193239156.db2.gz QJTZYWOZKZLDLL-QGZVFWFLSA-N 1 2 321.848 3.839 10 0 DHAELO Nc1ccc2[nH]c(-c3ccc(F)cc3Br)[nH+]c2c1 ZINC000019431240 182123057 /nfs/dbraw/zinc/12/30/57/182123057.db2.gz XAUKJRHZAXDEAX-UHFFFAOYSA-N 1 2 306.138 3.714 10 0 DHAELO Cc1c2cc(Br)ccc2oc1[C@@H]([NH3+])c1ccccn1 ZINC000020593018 182235795 /nfs/dbraw/zinc/23/57/95/182235795.db2.gz DGXAOHYXSLYSHA-AWEZNQCLSA-N 1 2 317.186 3.947 10 0 DHAELO C=CC(=O)NCCCCCc1[nH+]c2ccccc2n1CC(C)C ZINC000040219563 183047144 /nfs/dbraw/zinc/04/71/44/183047144.db2.gz SWDRBIJFSZHLDF-UHFFFAOYSA-N 1 2 313.445 3.707 10 0 DHAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1cccc(C)c1 ZINC000040295542 183052907 /nfs/dbraw/zinc/05/29/07/183052907.db2.gz ZYAWZCUOJDYPDH-UHFFFAOYSA-N 1 2 307.397 3.909 10 0 DHAELO Cc1cccc(Cn2c3cc(C)c(C)cc3[nH+]c2CCCO)c1 ZINC000040310957 183053606 /nfs/dbraw/zinc/05/36/06/183053606.db2.gz XHARVOMYVYOHNQ-UHFFFAOYSA-N 1 2 308.425 3.935 10 0 DHAELO CCCNc1[nH+]cnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040707748 183120898 /nfs/dbraw/zinc/12/08/98/183120898.db2.gz XLJZXIWVXSAEPJ-UHFFFAOYSA-N 1 2 312.204 3.931 10 0 DHAELO CC(C)(C)c1csc(C[NH+]2CCC(c3ccn[nH]3)CC2)n1 ZINC000119679762 195015517 /nfs/dbraw/zinc/01/55/17/195015517.db2.gz MGEZACVIEWRWNO-UHFFFAOYSA-N 1 2 304.463 3.543 10 0 DHAELO Cc1cc[nH+]c(NCC2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000557673068 331807919 /nfs/dbraw/zinc/80/79/19/331807919.db2.gz SFPHPMKEWHYBIQ-QWRGUYRKSA-N 1 2 313.239 3.768 10 0 DHAELO CC(C)c1ccc([C@H](C)[NH2+]Cc2nsc(N(C)C)n2)cc1 ZINC000178494381 333013639 /nfs/dbraw/zinc/01/36/39/333013639.db2.gz PZGBOFGCNYFFCM-LBPRGKRZSA-N 1 2 304.463 3.578 10 0 DHAELO c1n[nH]cc1[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000179688118 333154469 /nfs/dbraw/zinc/15/44/69/333154469.db2.gz ZANGGZYOERPFDD-QGZVFWFLSA-N 1 2 307.401 3.527 10 0 DHAELO c1n[nH]cc1[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000179688118 333154470 /nfs/dbraw/zinc/15/44/70/333154470.db2.gz ZANGGZYOERPFDD-QGZVFWFLSA-N 1 2 307.401 3.527 10 0 DHAELO c1n[nH]cc1[C@H]1CCCC[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179688118 333154471 /nfs/dbraw/zinc/15/44/71/333154471.db2.gz ZANGGZYOERPFDD-QGZVFWFLSA-N 1 2 307.401 3.527 10 0 DHAELO c1n[nH]cc1[C@H]1CCCC[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179688118 333154473 /nfs/dbraw/zinc/15/44/73/333154473.db2.gz ZANGGZYOERPFDD-QGZVFWFLSA-N 1 2 307.401 3.527 10 0 DHAELO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccs1 ZINC000187340059 333430718 /nfs/dbraw/zinc/43/07/18/333430718.db2.gz DUPOHNHMBWEJBA-HIFRSBDPSA-N 1 2 303.427 3.573 10 0 DHAELO CC1(C)CCCC[C@H]1c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329635723 336020905 /nfs/dbraw/zinc/02/09/05/336020905.db2.gz XZLOAIJQOYCRBK-SOUVJXGZSA-N 1 2 319.449 3.679 10 0 DHAELO CC1(C)CCCC[C@H]1c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329635723 336020907 /nfs/dbraw/zinc/02/09/07/336020907.db2.gz XZLOAIJQOYCRBK-SOUVJXGZSA-N 1 2 319.449 3.679 10 0 DHAELO Brc1ccsc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043511824 336263529 /nfs/dbraw/zinc/26/35/29/336263529.db2.gz YSEDVJWXRJEEJK-RYUDHWBXSA-N 1 2 316.264 3.654 10 0 DHAELO Brc1ccsc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043511824 336263530 /nfs/dbraw/zinc/26/35/30/336263530.db2.gz YSEDVJWXRJEEJK-RYUDHWBXSA-N 1 2 316.264 3.654 10 0 DHAELO Cc1cc(NC[C@H](O)c2ccccc2Cl)nc(C(C)C)[nH+]1 ZINC000301379247 336303507 /nfs/dbraw/zinc/30/35/07/336303507.db2.gz XPQLWQVGTSSQCP-AWEZNQCLSA-N 1 2 305.809 3.707 10 0 DHAELO COc1ccc([C@@H]2C[C@H](C)N(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000301855436 336334470 /nfs/dbraw/zinc/33/44/70/336334470.db2.gz CUDMWAFNJLUUQI-DZGCQCFKSA-N 1 2 307.397 3.954 10 0 DHAELO CC(=O)Nc1c(C)cc(Nc2nc(C)[nH+]c3c2CCCC3)cc1C ZINC000302057067 336345919 /nfs/dbraw/zinc/34/59/19/336345919.db2.gz ANACBPLJVVYXOU-UHFFFAOYSA-N 1 2 324.428 3.983 10 0 DHAELO CCC1(CC)CN(c2[nH+]c3ccccc3cc2C)CC[S@]1=O ZINC000302216468 336354386 /nfs/dbraw/zinc/35/43/86/336354386.db2.gz IPSUIBFGIYGQSM-JOCHJYFZSA-N 1 2 316.470 3.671 10 0 DHAELO c1coc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000172026956 337091082 /nfs/dbraw/zinc/09/10/82/337091082.db2.gz ZPBMATFXCAAERC-NSHDSACASA-N 1 2 301.371 3.728 10 0 DHAELO c1coc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000172026956 337091083 /nfs/dbraw/zinc/09/10/83/337091083.db2.gz ZPBMATFXCAAERC-NSHDSACASA-N 1 2 301.371 3.728 10 0 DHAELO C[C@H](NC(=O)c1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173948439 337137874 /nfs/dbraw/zinc/13/78/74/337137874.db2.gz BGQNDXFMGAAQNJ-ZDUSSCGKSA-N 1 2 309.344 3.502 10 0 DHAELO Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000175679845 337147036 /nfs/dbraw/zinc/14/70/36/337147036.db2.gz GGYXPGFZJFFSSJ-INIZCTEOSA-N 1 2 323.396 3.899 10 0 DHAELO Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000175679845 337147037 /nfs/dbraw/zinc/14/70/37/337147037.db2.gz GGYXPGFZJFFSSJ-INIZCTEOSA-N 1 2 323.396 3.899 10 0 DHAELO Cc1cc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)ccc1Cl ZINC000180427779 337174556 /nfs/dbraw/zinc/17/45/56/337174556.db2.gz XVEJNRLCKGHQCO-CQSZACIVSA-N 1 2 308.834 3.678 10 0 DHAELO Cc1cc(C[N@H+]2CCO[C@@H](c3nccs3)C2)ccc1Cl ZINC000180427779 337174557 /nfs/dbraw/zinc/17/45/57/337174557.db2.gz XVEJNRLCKGHQCO-CQSZACIVSA-N 1 2 308.834 3.678 10 0 DHAELO Fc1ccc([C@H](N[C@@H]2CCOc3ccccc32)c2[nH]cc[nH+]2)cc1 ZINC000187697702 337269226 /nfs/dbraw/zinc/26/92/26/337269226.db2.gz QRPFHXKZSLOVJL-AEFFLSMTSA-N 1 2 323.371 3.752 10 0 DHAELO Fc1ccc([C@H]([NH2+][C@@H]2CCOc3ccccc32)c2ncc[nH]2)cc1 ZINC000187697702 337269227 /nfs/dbraw/zinc/26/92/27/337269227.db2.gz QRPFHXKZSLOVJL-AEFFLSMTSA-N 1 2 323.371 3.752 10 0 DHAELO C[C@@H]([NH2+]Cc1noc(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000189189890 337277241 /nfs/dbraw/zinc/27/72/41/337277241.db2.gz CKZCKDQZPVLJEC-SECBINFHSA-N 1 2 321.352 3.927 10 0 DHAELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(F)nc1 ZINC000189321880 337278714 /nfs/dbraw/zinc/27/87/14/337278714.db2.gz COZASUAHZQVEQA-INIZCTEOSA-N 1 2 300.377 3.573 10 0 DHAELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(F)nc1 ZINC000189321880 337278715 /nfs/dbraw/zinc/27/87/15/337278715.db2.gz COZASUAHZQVEQA-INIZCTEOSA-N 1 2 300.377 3.573 10 0 DHAELO CCn1cc[nH+]c1CNc1cccc(Cl)c1Br ZINC000190089961 337284580 /nfs/dbraw/zinc/28/45/80/337284580.db2.gz HODPHUDBRMLVML-UHFFFAOYSA-N 1 2 314.614 3.931 10 0 DHAELO O=C(Cc1cccc2[nH+]ccn21)Nc1ccc(F)c(C(F)F)c1 ZINC000584605275 337371438 /nfs/dbraw/zinc/37/14/38/337371438.db2.gz KIPOXXWXQBDQGK-UHFFFAOYSA-N 1 2 319.286 3.592 10 0 DHAELO O=C(Cc1cccc2[nH+]ccn21)Nc1ccc(C2CC2)c(F)c1 ZINC000584605481 337371601 /nfs/dbraw/zinc/37/16/01/337371601.db2.gz QATATSNIURJHBT-UHFFFAOYSA-N 1 2 309.344 3.532 10 0 DHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000106207105 337387112 /nfs/dbraw/zinc/38/71/12/337387112.db2.gz WAKMYRXYGWKDEN-HNNXBMFYSA-N 1 2 318.490 3.954 10 0 DHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000106207105 337387113 /nfs/dbraw/zinc/38/71/13/337387113.db2.gz WAKMYRXYGWKDEN-HNNXBMFYSA-N 1 2 318.490 3.954 10 0 DHAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(Cl)s1 ZINC000130871315 337434853 /nfs/dbraw/zinc/43/48/53/337434853.db2.gz OSLGBSFTJREXGK-NXEZZACHSA-N 1 2 310.854 3.741 10 0 DHAELO C[C@H]([NH2+][C@H]1CC(C)(C)Cc2occc21)c1nnc2n1CCCC2 ZINC000130910893 337435217 /nfs/dbraw/zinc/43/52/17/337435217.db2.gz YONJBDDJGKSMMJ-JSGCOSHPSA-N 1 2 314.433 3.572 10 0 DHAELO C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000080554776 337678518 /nfs/dbraw/zinc/67/85/18/337678518.db2.gz KPGOMJBYVLZSKZ-UKRRQHHQSA-N 1 2 323.396 3.726 10 0 DHAELO CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2-c1ccc2ncsc2c1 ZINC000504158245 340142012 /nfs/dbraw/zinc/14/20/12/340142012.db2.gz KXDWMFFLMUKYHS-UHFFFAOYSA-N 1 2 322.393 3.902 10 0 DHAELO CC(C)CCCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174908860 340398926 /nfs/dbraw/zinc/39/89/26/340398926.db2.gz VDNDBZXKCPPHID-HNNXBMFYSA-N 1 2 314.433 3.669 10 0 DHAELO Nc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000071663352 340711013 /nfs/dbraw/zinc/71/10/13/340711013.db2.gz CPXWPVMHAVEISI-UHFFFAOYSA-N 1 2 317.392 3.825 10 0 DHAELO C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470981 341207974 /nfs/dbraw/zinc/20/79/74/341207974.db2.gz SQBKVFWNABYNQN-CVEARBPZSA-N 1 2 324.428 3.589 10 0 DHAELO CC(C)n1cc[nH+]c1CN(Cc1ccco1)Cc1cccnc1 ZINC000180460224 520027748 /nfs/dbraw/zinc/02/77/48/520027748.db2.gz HKJUPQRAOKPOQY-UHFFFAOYSA-N 1 2 310.401 3.654 10 0 DHAELO CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131860359 521639842 /nfs/dbraw/zinc/63/98/42/521639842.db2.gz MTMPDBVLAVKZQX-QGZVFWFLSA-N 1 2 323.444 3.517 10 0 DHAELO CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131860359 521639846 /nfs/dbraw/zinc/63/98/46/521639846.db2.gz MTMPDBVLAVKZQX-QGZVFWFLSA-N 1 2 323.444 3.517 10 0 DHAELO COC(=O)c1ccccc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000127616616 522262319 /nfs/dbraw/zinc/26/23/19/522262319.db2.gz LZEJKBQHAXNJAX-HNNXBMFYSA-N 1 2 316.426 3.657 10 0 DHAELO COC(=O)c1ccccc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000127616616 522262324 /nfs/dbraw/zinc/26/23/24/522262324.db2.gz LZEJKBQHAXNJAX-HNNXBMFYSA-N 1 2 316.426 3.657 10 0 DHAELO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(F)c(Cl)c1 ZINC000190863287 525547687 /nfs/dbraw/zinc/54/76/87/525547687.db2.gz FJWJZOUZRTXJAT-SNVBAGLBSA-N 1 2 310.804 3.676 10 0 DHAELO C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000191630370 525557809 /nfs/dbraw/zinc/55/78/09/525557809.db2.gz AAHYZAYSEHQQSZ-GUYCJALGSA-N 1 2 312.369 3.628 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cn(C(C)(C)C)nn2)o1 ZINC000191369537 525996047 /nfs/dbraw/zinc/99/60/47/525996047.db2.gz CJTUUKXSAVFHQT-OAHLLOKOSA-N 1 2 302.422 3.662 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cn(C(C)(C)C)nn2)o1 ZINC000191369537 525996053 /nfs/dbraw/zinc/99/60/53/525996053.db2.gz CJTUUKXSAVFHQT-OAHLLOKOSA-N 1 2 302.422 3.662 10 0 DHAELO Brc1cc2c(s1)CC[C@H]2[NH2+]Cc1cscn1 ZINC000309234745 526637103 /nfs/dbraw/zinc/63/71/03/526637103.db2.gz LJEUNJJZRKQYAF-SECBINFHSA-N 1 2 315.261 3.744 10 0 DHAELO Cc1nc(C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)no1 ZINC000181734469 526893381 /nfs/dbraw/zinc/89/33/81/526893381.db2.gz HFTBZVLOYRHVQG-CYBMUJFWSA-N 1 2 303.406 3.654 10 0 DHAELO Cc1cccc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)c1 ZINC000226254311 563913461 /nfs/dbraw/zinc/91/34/61/563913461.db2.gz GOGCBXHXJQZCCX-UHFFFAOYSA-N 1 2 309.413 3.820 10 0 DHAELO COc1cc2[nH+]ccc(Oc3ccc(N)c(C)c3)c2cc1OC ZINC000090529015 185300511 /nfs/dbraw/zinc/30/05/11/185300511.db2.gz BXVUWRXAXZVIOJ-UHFFFAOYSA-N 1 2 310.353 3.935 10 0 DHAELO [NH3+]c1ccc2c(c1)CCN2Cc1ccc(Br)cc1 ZINC000019875050 182158913 /nfs/dbraw/zinc/15/89/13/182158913.db2.gz KIEGXUXDXZQZOF-UHFFFAOYSA-N 1 2 303.203 3.594 10 0 DHAELO CCCn1c(CCCCCNC(=O)CC)[nH+]c2ccccc21 ZINC000040211062 183045723 /nfs/dbraw/zinc/04/57/23/183045723.db2.gz ODRVGDQBHLXJAF-UHFFFAOYSA-N 1 2 301.434 3.685 10 0 DHAELO Cc1cc2[nH+]c(CCCO)n(Cc3ccccc3F)c2cc1C ZINC000040310971 183053491 /nfs/dbraw/zinc/05/34/91/183053491.db2.gz FPOCCIUGZSWWMN-UHFFFAOYSA-N 1 2 312.388 3.765 10 0 DHAELO Cc1cc2[nH+]c(CCO)n(C/C=C/c3ccccc3)c2cc1C ZINC000040310765 183053728 /nfs/dbraw/zinc/05/37/28/183053728.db2.gz MJBOBLNEHVHIKR-RMKNXTFCSA-N 1 2 306.409 3.901 10 0 DHAELO CCNc1ccc(COc2cccc(Br)c2)c[nH+]1 ZINC000050831087 183806303 /nfs/dbraw/zinc/80/63/03/183806303.db2.gz MRWSTPUDLNGQCF-UHFFFAOYSA-N 1 2 307.191 3.855 10 0 DHAELO Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)cc2c1 ZINC000329384491 335970351 /nfs/dbraw/zinc/97/03/51/335970351.db2.gz RPRHTWDQNVATPK-QGZVFWFLSA-N 1 2 320.396 3.552 10 0 DHAELO CC(C)(C)Oc1cc(CNc2cc[nH+]c(C(C)(C)C)n2)ccn1 ZINC000301927680 336338497 /nfs/dbraw/zinc/33/84/97/336338497.db2.gz MLNGCLPNFCYQBI-UHFFFAOYSA-N 1 2 314.433 3.959 10 0 DHAELO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)n1 ZINC000114746916 336670593 /nfs/dbraw/zinc/67/05/93/336670593.db2.gz OHHDCOYTFDUCBR-VHSXEESVSA-N 1 2 324.222 3.806 10 0 DHAELO CCn1cc[nH+]c1CNc1ccc(Br)c(C)c1F ZINC000193310062 336694375 /nfs/dbraw/zinc/69/43/75/336694375.db2.gz YLDOWRLDPJAPBX-UHFFFAOYSA-N 1 2 312.186 3.725 10 0 DHAELO CC(=O)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000123019093 337034116 /nfs/dbraw/zinc/03/41/16/337034116.db2.gz MKLUPDPVIRSKSJ-INIZCTEOSA-N 1 2 316.426 3.796 10 0 DHAELO CC(=O)Oc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000123019093 337034117 /nfs/dbraw/zinc/03/41/17/337034117.db2.gz MKLUPDPVIRSKSJ-INIZCTEOSA-N 1 2 316.426 3.796 10 0 DHAELO CC(C)n1ccnc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000171966781 337090481 /nfs/dbraw/zinc/09/04/81/337090481.db2.gz PSRXYSYFRHLEQB-JTDSTZFVSA-N 1 2 313.445 3.815 10 0 DHAELO CC(C)n1ccnc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000171966781 337090482 /nfs/dbraw/zinc/09/04/82/337090482.db2.gz PSRXYSYFRHLEQB-JTDSTZFVSA-N 1 2 313.445 3.815 10 0 DHAELO CC(C)n1cc[nH+]c1CN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000171966781 337090483 /nfs/dbraw/zinc/09/04/83/337090483.db2.gz PSRXYSYFRHLEQB-JTDSTZFVSA-N 1 2 313.445 3.815 10 0 DHAELO Cc1cc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)o1 ZINC000173944313 337137753 /nfs/dbraw/zinc/13/77/53/337137753.db2.gz WSAVSRDEFVVAHH-ZDUSSCGKSA-N 1 2 309.369 3.573 10 0 DHAELO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000173895190 337138845 /nfs/dbraw/zinc/13/88/45/337138845.db2.gz KBYHNHAAOYAOLQ-UONOGXRCSA-N 1 2 319.405 3.733 10 0 DHAELO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000173895190 337138846 /nfs/dbraw/zinc/13/88/46/337138846.db2.gz KBYHNHAAOYAOLQ-UONOGXRCSA-N 1 2 319.405 3.733 10 0 DHAELO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2nnc(CC)n2C)o1 ZINC000174447377 337142015 /nfs/dbraw/zinc/14/20/15/337142015.db2.gz KDGQPDOWEMUJNB-UKRRQHHQSA-N 1 2 316.449 3.506 10 0 DHAELO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2nnc(CC)n2C)o1 ZINC000174447377 337142016 /nfs/dbraw/zinc/14/20/16/337142016.db2.gz KDGQPDOWEMUJNB-UKRRQHHQSA-N 1 2 316.449 3.506 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2csc(Br)c2)o1 ZINC000220907328 337167081 /nfs/dbraw/zinc/16/70/81/337167081.db2.gz CNTGQWJTTZVXLX-MRVPVSSYSA-N 1 2 301.209 3.658 10 0 DHAELO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000180657034 337177166 /nfs/dbraw/zinc/17/71/66/337177166.db2.gz KDYGNXJUIZHJNJ-WFASDCNBSA-N 1 2 302.397 3.555 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)cc2Br)o1 ZINC000227556241 337249391 /nfs/dbraw/zinc/24/93/91/337249391.db2.gz CLPPDMDEQZYOND-NSHDSACASA-N 1 2 309.207 3.905 10 0 DHAELO FC(F)(F)c1cc(C(F)(F)F)c2ccc3[nH+]ccn3c2n1 ZINC000584623203 337375193 /nfs/dbraw/zinc/37/51/93/337375193.db2.gz RUVSHRCXGAMMOU-UHFFFAOYSA-N 1 2 305.181 3.920 10 0 DHAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3csc(C(C)C)n3)C2)c1 ZINC000105901353 337386855 /nfs/dbraw/zinc/38/68/55/337386855.db2.gz OZIXCFZVWJSORJ-OAHLLOKOSA-N 1 2 304.463 3.609 10 0 DHAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3csc(C(C)C)n3)C2)c1 ZINC000105901353 337386856 /nfs/dbraw/zinc/38/68/56/337386856.db2.gz OZIXCFZVWJSORJ-OAHLLOKOSA-N 1 2 304.463 3.609 10 0 DHAELO c1coc([C@@H]2CCC[N@H+]2Cc2noc(-c3ccsc3)n2)c1 ZINC000116404398 337392697 /nfs/dbraw/zinc/39/26/97/337392697.db2.gz MLIQCEWXPPMHGX-LBPRGKRZSA-N 1 2 301.371 3.728 10 0 DHAELO c1coc([C@@H]2CCC[N@@H+]2Cc2noc(-c3ccsc3)n2)c1 ZINC000116404398 337392698 /nfs/dbraw/zinc/39/26/98/337392698.db2.gz MLIQCEWXPPMHGX-LBPRGKRZSA-N 1 2 301.371 3.728 10 0 DHAELO Cc1csc([C@@H]2CCCN(C(=O)Nc3cc[nH+]cc3C)C2)n1 ZINC000121859496 337396547 /nfs/dbraw/zinc/39/65/47/337396547.db2.gz OCHXIGLEJMUEKK-CYBMUJFWSA-N 1 2 316.430 3.566 10 0 DHAELO CCCOc1cccc2c(N3CCC([C@H](C)O)CC3)cc[nH+]c12 ZINC000194716398 340595262 /nfs/dbraw/zinc/59/52/62/340595262.db2.gz BTHFAAMJBCZBIT-AWEZNQCLSA-N 1 2 314.429 3.621 10 0 DHAELO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(Cl)s2)n1 ZINC000130331516 341017211 /nfs/dbraw/zinc/01/72/11/341017211.db2.gz KUHLHBNDDLNOAT-DTWKUNHWSA-N 1 2 315.826 3.733 10 0 DHAELO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130660650 341037727 /nfs/dbraw/zinc/03/77/27/341037727.db2.gz VBERQEFSXUFDDF-JKSUJKDBSA-N 1 2 310.397 3.956 10 0 DHAELO CCCn1c2ccccc2nc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245549922 341301408 /nfs/dbraw/zinc/30/14/08/341301408.db2.gz ZRDHNYREBDJMRO-QZTJIDSGSA-N 1 2 313.445 3.590 10 0 DHAELO CCCn1c2ccccc2nc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245549922 341301409 /nfs/dbraw/zinc/30/14/09/341301409.db2.gz ZRDHNYREBDJMRO-QZTJIDSGSA-N 1 2 313.445 3.590 10 0 DHAELO CC(=O)Nc1ccc(Cl)c(NCc2[nH+]ccn2C(C)C)c1 ZINC000124359802 519719237 /nfs/dbraw/zinc/71/92/37/519719237.db2.gz QYKYMXSCQIWAOM-UHFFFAOYSA-N 1 2 306.797 3.688 10 0 DHAELO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC000181390789 519763567 /nfs/dbraw/zinc/76/35/67/519763567.db2.gz OYFSUALQWGOGMN-CYBMUJFWSA-N 1 2 315.417 3.833 10 0 DHAELO CC[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(Cl)c1F ZINC000161754777 522716517 /nfs/dbraw/zinc/71/65/17/522716517.db2.gz KLHYVFWJXYADHG-QWHCGFSZSA-N 1 2 308.788 3.646 10 0 DHAELO CC[C@H](Nc1cccc(-n2nc(C)cc2C)c1)c1[nH+]ccn1C ZINC000182875202 522770643 /nfs/dbraw/zinc/77/06/43/522770643.db2.gz ZGJCZZXMFLNOOC-KRWDZBQOSA-N 1 2 309.417 3.786 10 0 DHAELO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1cccc(Cl)c1F ZINC000161880162 522924939 /nfs/dbraw/zinc/92/49/39/522924939.db2.gz FPMIAJLWGRXPSU-ZIAGYGMSSA-N 1 2 322.815 3.955 10 0 DHAELO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)n1 ZINC000183008060 523275434 /nfs/dbraw/zinc/27/54/34/523275434.db2.gz OSTXHSMYBYKDHR-STQMWFEESA-N 1 2 311.385 3.781 10 0 DHAELO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)c(OC)c1 ZINC000127618169 524027097 /nfs/dbraw/zinc/02/70/97/524027097.db2.gz FPFOPWJLSKSBTC-HNNXBMFYSA-N 1 2 318.442 3.888 10 0 DHAELO COc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)c(OC)c1 ZINC000127618169 524027101 /nfs/dbraw/zinc/02/71/01/524027101.db2.gz FPFOPWJLSKSBTC-HNNXBMFYSA-N 1 2 318.442 3.888 10 0 DHAELO CCc1cccc(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000188974181 524069864 /nfs/dbraw/zinc/06/98/64/524069864.db2.gz RQKYLHIHSXNDBM-INIZCTEOSA-N 1 2 302.443 3.587 10 0 DHAELO CCc1cccc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000188974181 524069866 /nfs/dbraw/zinc/06/98/66/524069866.db2.gz RQKYLHIHSXNDBM-INIZCTEOSA-N 1 2 302.443 3.587 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1nc(C2CC2)no1 ZINC000180661897 525611829 /nfs/dbraw/zinc/61/18/29/525611829.db2.gz NHVKPGQVJIFFAT-QWHCGFSZSA-N 1 2 323.400 3.545 10 0 DHAELO Cc1nnc(C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181737815 526345444 /nfs/dbraw/zinc/34/54/44/526345444.db2.gz QFSXHGGBESSIQR-CYBMUJFWSA-N 1 2 303.406 3.654 10 0 DHAELO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](C/C=C/Cl)C1 ZINC000161041718 527679241 /nfs/dbraw/zinc/67/92/41/527679241.db2.gz ZJANLICAVSFVJW-XZKJTIFOSA-N 1 2 305.727 3.566 10 0 DHAELO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](C/C=C/Cl)C1 ZINC000161041718 527679242 /nfs/dbraw/zinc/67/92/42/527679242.db2.gz ZJANLICAVSFVJW-XZKJTIFOSA-N 1 2 305.727 3.566 10 0 DHAELO CCCCOC(=O)c1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000078400768 563512522 /nfs/dbraw/zinc/51/25/22/563512522.db2.gz PTROAKDVOSDNCY-UHFFFAOYSA-N 1 2 309.369 3.769 10 0 DHAELO CCCCc1nc(Cl)c(C[NH2+]Cc2cc(F)ccc2F)[nH]1 ZINC000088399275 185248518 /nfs/dbraw/zinc/24/85/18/185248518.db2.gz FMZZGAORAWOAIX-UHFFFAOYSA-N 1 2 313.779 3.974 10 0 DHAELO Cc1ccc(C[N@@H+]2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)o1 ZINC000092790508 185341240 /nfs/dbraw/zinc/34/12/40/185341240.db2.gz FXKMLQRAGGUZCG-AWEZNQCLSA-N 1 2 320.458 3.916 10 0 DHAELO Cc1ccc(C[N@H+]2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)o1 ZINC000092790508 185341241 /nfs/dbraw/zinc/34/12/41/185341241.db2.gz FXKMLQRAGGUZCG-AWEZNQCLSA-N 1 2 320.458 3.916 10 0 DHAELO COc1cccc(-c2[nH]c3c(cc(N)cc3Br)[nH+]2)c1 ZINC000006297895 181327186 /nfs/dbraw/zinc/32/71/86/181327186.db2.gz JDICVAKPUUDVQS-UHFFFAOYSA-N 1 2 318.174 3.583 10 0 DHAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)N(C)c1ccccc1 ZINC000040231383 183048716 /nfs/dbraw/zinc/04/87/16/183048716.db2.gz XYUVLBWEVYWLHF-UHFFFAOYSA-N 1 2 307.397 3.823 10 0 DHAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(OC)c1 ZINC000040295734 183052737 /nfs/dbraw/zinc/05/27/37/183052737.db2.gz AAPOVUAKQKNFJC-UHFFFAOYSA-N 1 2 323.396 3.636 10 0 DHAELO COc1ccccc1NC(=O)Cn1c(C)[nH+]c2cc(C)c(C)cc21 ZINC000040295538 183052911 /nfs/dbraw/zinc/05/29/11/183052911.db2.gz VZTOFKIYMRUBTL-UHFFFAOYSA-N 1 2 323.396 3.609 10 0 DHAELO CCN(CC)c1nc[nH+]c(Nc2cccc(Cl)c2C)c1N ZINC000040701494 183119951 /nfs/dbraw/zinc/11/99/51/183119951.db2.gz HQNWXGSHUDRJSI-UHFFFAOYSA-N 1 2 305.813 3.610 10 0 DHAELO CCN(CC)c1[nH+]cnc(Nc2cccc(Cl)c2C)c1N ZINC000040701494 183119954 /nfs/dbraw/zinc/11/99/54/183119954.db2.gz HQNWXGSHUDRJSI-UHFFFAOYSA-N 1 2 305.813 3.610 10 0 DHAELO CCCCNc1[nH+]cnc(Nc2cccc3cccnc32)c1N ZINC000040706509 183120985 /nfs/dbraw/zinc/12/09/85/183120985.db2.gz AJPPBMPPBRPHJR-UHFFFAOYSA-N 1 2 308.389 3.563 10 0 DHAELO Cc1ccc(CNc2nc[nH+]c(Nc3ccccc3)c2N)cc1 ZINC000040781062 183133051 /nfs/dbraw/zinc/13/30/51/183133051.db2.gz SMMFLSCVIJWXAG-UHFFFAOYSA-N 1 2 305.385 3.723 10 0 DHAELO Cc1ccc(CNc2[nH+]cnc(Nc3ccccc3)c2N)cc1 ZINC000040781062 183133053 /nfs/dbraw/zinc/13/30/53/183133053.db2.gz SMMFLSCVIJWXAG-UHFFFAOYSA-N 1 2 305.385 3.723 10 0 DHAELO Nc1c(Nc2ccccc2Cl)nc[nH+]c1N1CCCCCC1 ZINC000040725505 183124952 /nfs/dbraw/zinc/12/49/52/183124952.db2.gz JCLJYPGTYZLNTQ-UHFFFAOYSA-N 1 2 317.824 3.836 10 0 DHAELO FC(F)(F)c1[nH]nc2c1C[NH2+]CC2=Cc1ccc(Cl)cc1 ZINC000043464051 183364838 /nfs/dbraw/zinc/36/48/38/183364838.db2.gz RQDJINHCYBGCPL-WEVVVXLNSA-N 1 2 313.710 3.726 10 0 DHAELO CCOc1ccc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000106387369 194206663 /nfs/dbraw/zinc/20/66/63/194206663.db2.gz ATCDYPBFIRLZEJ-UHFFFAOYSA-N 1 2 313.445 3.501 10 0 DHAELO CC1(C)CC[NH+](CC(=O)c2cccc(Br)c2)CC1 ZINC000061820715 184188398 /nfs/dbraw/zinc/18/83/98/184188398.db2.gz DBXVGNOOUSSNBT-UHFFFAOYSA-N 1 2 310.235 3.754 10 0 DHAELO COc1ccc([C@@H](C)[NH2+][C@H](C)c2csc(C)n2)c(OC)c1 ZINC000036922122 331525765 /nfs/dbraw/zinc/52/57/65/331525765.db2.gz VDVDVNXMVYRMPO-GHMZBOCLSA-N 1 2 306.431 3.881 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc(F)ccc1Cl)C2 ZINC000188978600 333059815 /nfs/dbraw/zinc/05/98/15/333059815.db2.gz NBXQZEDZDOPALI-UHFFFAOYSA-N 1 2 321.827 3.894 10 0 DHAELO CCn1cc([C@H](C)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cn1 ZINC000183032306 333182478 /nfs/dbraw/zinc/18/24/78/333182478.db2.gz QTKRLNAESXNTHB-LBPRGKRZSA-N 1 2 315.808 3.915 10 0 DHAELO CCn1cc[nH+]c1CNc1cc(C)c(Br)cc1F ZINC000310867935 333265413 /nfs/dbraw/zinc/26/54/13/333265413.db2.gz FALVNWQICGDHFB-UHFFFAOYSA-N 1 2 312.186 3.725 10 0 DHAELO CC1(C)CCCC[C@@H]1c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329635719 336020894 /nfs/dbraw/zinc/02/08/94/336020894.db2.gz XZLOAIJQOYCRBK-RBSFLKMASA-N 1 2 319.449 3.679 10 0 DHAELO CC1(C)CCCC[C@@H]1c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329635719 336020895 /nfs/dbraw/zinc/02/08/95/336020895.db2.gz XZLOAIJQOYCRBK-RBSFLKMASA-N 1 2 319.449 3.679 10 0 DHAELO Brc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000043678528 336270702 /nfs/dbraw/zinc/27/07/02/336270702.db2.gz ROBIAHQOOFDVPX-NWDGAFQWSA-N 1 2 316.264 3.654 10 0 DHAELO Brc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000043678528 336270703 /nfs/dbraw/zinc/27/07/03/336270703.db2.gz ROBIAHQOOFDVPX-NWDGAFQWSA-N 1 2 316.264 3.654 10 0 DHAELO Cc1cc(NC[C@]2(O)CCCc3ccccc32)nc(C(C)C)[nH+]1 ZINC000301216177 336295274 /nfs/dbraw/zinc/29/52/74/336295274.db2.gz YZFXRGUTMIEUSA-LJQANCHMSA-N 1 2 311.429 3.544 10 0 DHAELO Fc1ccccc1NC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000301458811 336308075 /nfs/dbraw/zinc/30/80/75/336308075.db2.gz ZKIIDWUOMFEYKD-UHFFFAOYSA-N 1 2 312.392 3.574 10 0 DHAELO CC(=O)c1c(F)cccc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000301694721 336323961 /nfs/dbraw/zinc/32/39/61/336323961.db2.gz APCMCLUIDVEKDV-UHFFFAOYSA-N 1 2 315.323 3.698 10 0 DHAELO CN(Cc1nc(-c2ccccc2)c[nH]1)c1[nH]c2ccccc2[nH+]1 ZINC000301897746 336336791 /nfs/dbraw/zinc/33/67/91/336336791.db2.gz WBVRAXLBURNTMR-UHFFFAOYSA-N 1 2 303.369 3.589 10 0 DHAELO Oc1cccc2c1CCC[C@H]2Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000302730733 336367019 /nfs/dbraw/zinc/36/70/19/336367019.db2.gz SENWMQZRPNSZBJ-MRXNPFEDSA-N 1 2 324.428 3.662 10 0 DHAELO Oc1cccc2c1CCC[C@H]2Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302730733 336367020 /nfs/dbraw/zinc/36/70/20/336367020.db2.gz SENWMQZRPNSZBJ-MRXNPFEDSA-N 1 2 324.428 3.662 10 0 DHAELO CC(C)n1ccnc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000171966777 337090490 /nfs/dbraw/zinc/09/04/90/337090490.db2.gz PSRXYSYFRHLEQB-GJYPPUQNSA-N 1 2 313.445 3.815 10 0 DHAELO CC(C)n1ccnc1C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000171966777 337090491 /nfs/dbraw/zinc/09/04/91/337090491.db2.gz PSRXYSYFRHLEQB-GJYPPUQNSA-N 1 2 313.445 3.815 10 0 DHAELO CC(C)n1cc[nH+]c1CN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000171966777 337090492 /nfs/dbraw/zinc/09/04/92/337090492.db2.gz PSRXYSYFRHLEQB-GJYPPUQNSA-N 1 2 313.445 3.815 10 0 DHAELO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1nnc2n1CCCC2 ZINC000173360840 337134921 /nfs/dbraw/zinc/13/49/21/337134921.db2.gz VVGYIPSZNHIVKZ-AWEZNQCLSA-N 1 2 322.412 3.725 10 0 DHAELO C[C@@H](NC(=O)c1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938263 337137691 /nfs/dbraw/zinc/13/76/91/337137691.db2.gz RGFFZANZLGCBSP-CYBMUJFWSA-N 1 2 309.344 3.502 10 0 DHAELO Cc1cccc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173948644 337137924 /nfs/dbraw/zinc/13/79/24/337137924.db2.gz MNRLDPJQOFGWHB-HNNXBMFYSA-N 1 2 305.381 3.672 10 0 DHAELO C[C@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1cccc(O)c1 ZINC000174721381 337143380 /nfs/dbraw/zinc/14/33/80/337143380.db2.gz JXNVKNYSUYEEKP-KBPBESRZSA-N 1 2 312.417 3.592 10 0 DHAELO C[C@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1cccc(O)c1 ZINC000174721381 337143381 /nfs/dbraw/zinc/14/33/81/337143381.db2.gz JXNVKNYSUYEEKP-KBPBESRZSA-N 1 2 312.417 3.592 10 0 DHAELO COc1ccnc(C[N@@H+]2CCCC[C@H]2c2ccc(C)o2)c1OC ZINC000190598941 337288494 /nfs/dbraw/zinc/28/84/94/337288494.db2.gz JGNIBYMWBHIELA-HNNXBMFYSA-N 1 2 316.401 3.727 10 0 DHAELO COc1ccnc(C[N@H+]2CCCC[C@H]2c2ccc(C)o2)c1OC ZINC000190598941 337288495 /nfs/dbraw/zinc/28/84/95/337288495.db2.gz JGNIBYMWBHIELA-HNNXBMFYSA-N 1 2 316.401 3.727 10 0 DHAELO c1coc([C@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000116291304 337392588 /nfs/dbraw/zinc/39/25/88/337392588.db2.gz XXSVJDSSIBGLLV-GFCCVEGCSA-N 1 2 301.371 3.728 10 0 DHAELO c1coc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000116291304 337392589 /nfs/dbraw/zinc/39/25/89/337392589.db2.gz XXSVJDSSIBGLLV-GFCCVEGCSA-N 1 2 301.371 3.728 10 0 DHAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccccc1Cl ZINC000088559540 337862436 /nfs/dbraw/zinc/86/24/36/337862436.db2.gz ANVIGCKMODUYOX-BXUZGUMPSA-N 1 2 304.825 3.680 10 0 DHAELO CCC(CC)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176469229 340427686 /nfs/dbraw/zinc/42/76/86/340427686.db2.gz XRNIUIOISCUTMT-CQSZACIVSA-N 1 2 314.433 3.669 10 0 DHAELO C[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000132394495 341121929 /nfs/dbraw/zinc/12/19/29/341121929.db2.gz DQJPFXBLSFWMAO-OWCLPIDISA-N 1 2 311.429 3.876 10 0 DHAELO C[C@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CCS1 ZINC000134342462 341213636 /nfs/dbraw/zinc/21/36/36/341213636.db2.gz VFRXHLCUYRPSIR-VIFPVBQESA-N 1 2 304.228 3.526 10 0 DHAELO C[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CCS1 ZINC000134342462 341213637 /nfs/dbraw/zinc/21/36/37/341213637.db2.gz VFRXHLCUYRPSIR-VIFPVBQESA-N 1 2 304.228 3.526 10 0 DHAELO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)n1 ZINC000183008073 523274709 /nfs/dbraw/zinc/27/47/09/523274709.db2.gz OSTXHSMYBYKDHR-OLZOCXBDSA-N 1 2 311.385 3.781 10 0 DHAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C(c1ccccc1)c1ccccc1 ZINC000180933154 527187552 /nfs/dbraw/zinc/18/75/52/527187552.db2.gz HOLPKWFXVGJGMF-SFHVURJKSA-N 1 2 318.424 3.801 10 0 DHAELO COc1cc(CCc2ccc3c(c2)OCO3)[nH+]c2ccccc21 ZINC000000900158 560179563 /nfs/dbraw/zinc/17/95/63/560179563.db2.gz RIXOVHWIYRZQDC-UHFFFAOYSA-N 1 2 307.349 3.757 10 0 biogenic,in-vitro DHAELO c1[nH]c([C@@H]2CCCN(c3cccc[nH+]3)C2)nc1-c1ccccc1 ZINC000091483329 1019472081 /nfs/dbraw/zinc/47/20/81/1019472081.db2.gz RJVKUHRXSJBEKR-MRXNPFEDSA-N 1 2 304.397 3.856 10 0 DHAELO CC(C)(C)c1csc([C@@H]2C[N@H+](Cc3ccco3)CCO2)n1 ZINC000092790618 185341370 /nfs/dbraw/zinc/34/13/70/185341370.db2.gz UBXCSVSXXJNRDH-ZDUSSCGKSA-N 1 2 306.431 3.607 10 0 DHAELO CC(C)(C)c1csc([C@@H]2C[N@@H+](Cc3ccco3)CCO2)n1 ZINC000092790618 185341371 /nfs/dbraw/zinc/34/13/71/185341371.db2.gz UBXCSVSXXJNRDH-ZDUSSCGKSA-N 1 2 306.431 3.607 10 0 DHAELO CCOc1cc(Br)c([C@H]([NH3+])C2CC2)cc1OCC ZINC000003739462 181044780 /nfs/dbraw/zinc/04/47/80/181044780.db2.gz ANQLTPSUGOCDKS-CQSZACIVSA-N 1 2 314.223 3.656 10 0 DHAELO Nc1ccc2c(c1)[nH+]cnc2Nc1cccc(Br)c1 ZINC000003815072 181047101 /nfs/dbraw/zinc/04/71/01/181047101.db2.gz GHVBIROTJQDRQB-UHFFFAOYSA-N 1 2 315.174 3.718 10 0 in-vivo DHAELO Cc1c2cc(Br)ccc2oc1[C@H]([NH3+])c1ccccn1 ZINC000020593019 182235632 /nfs/dbraw/zinc/23/56/32/182235632.db2.gz DGXAOHYXSLYSHA-CQSZACIVSA-N 1 2 317.186 3.947 10 0 DHAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)Nc1cccc(F)c1 ZINC000040295924 183053109 /nfs/dbraw/zinc/05/31/09/183053109.db2.gz BGAHLSJMCHRCKW-UHFFFAOYSA-N 1 2 309.344 3.692 10 0 DHAELO Cc1cc2[nH+]c(CCO)n(CCCc3ccccc3)c2cc1C ZINC000040310767 183053684 /nfs/dbraw/zinc/05/36/84/183053684.db2.gz SPTPXYJXQFSVQW-UHFFFAOYSA-N 1 2 308.425 3.821 10 0 DHAELO CC(C)Nc1[nH+]cnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700862 183119845 /nfs/dbraw/zinc/11/98/45/183119845.db2.gz NTRNMDOIMLLSER-UHFFFAOYSA-N 1 2 312.204 3.930 10 0 DHAELO CC(C)Nc1nc[nH+]c(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700862 183119848 /nfs/dbraw/zinc/11/98/48/183119848.db2.gz NTRNMDOIMLLSER-UHFFFAOYSA-N 1 2 312.204 3.930 10 0 DHAELO Nc1c(Nc2cccnc2Cl)nc[nH+]c1NC1CCCCC1 ZINC000040708785 183120568 /nfs/dbraw/zinc/12/05/68/183120568.db2.gz RAEOBFUEAOKTCS-UHFFFAOYSA-N 1 2 318.812 3.595 10 0 DHAELO CCN(CC)c1nc[nH+]c(Nc2cc(Cl)ccc2C)c1N ZINC000040704789 183120572 /nfs/dbraw/zinc/12/05/72/183120572.db2.gz CIRNHQAOHQFSJW-UHFFFAOYSA-N 1 2 305.813 3.610 10 0 DHAELO CCN(CC)c1[nH+]cnc(Nc2cc(Cl)ccc2C)c1N ZINC000040704789 183120573 /nfs/dbraw/zinc/12/05/73/183120573.db2.gz CIRNHQAOHQFSJW-UHFFFAOYSA-N 1 2 305.813 3.610 10 0 DHAELO CC(C)CCNc1[nH+]cnc(Nc2cccc3ncccc32)c1N ZINC000040796934 183135324 /nfs/dbraw/zinc/13/53/24/183135324.db2.gz FNWUCNOENGVEAN-UHFFFAOYSA-N 1 2 322.416 3.809 10 0 DHAELO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000170865590 332891715 /nfs/dbraw/zinc/89/17/15/332891715.db2.gz OHTPBEQGGTWIAD-LBPRGKRZSA-N 1 2 313.788 3.821 10 0 DHAELO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1C ZINC000180738359 333164983 /nfs/dbraw/zinc/16/49/83/333164983.db2.gz AWVCVNRCGHLHEO-SNVBAGLBSA-N 1 2 310.804 3.582 10 0 DHAELO CC[C@H](CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)C(C)C ZINC000112665794 334720774 /nfs/dbraw/zinc/72/07/74/334720774.db2.gz KBAAIIGOXKVUBM-CQSZACIVSA-N 1 2 305.466 3.501 10 0 DHAELO Cc1cc(NC[C@@]2(O)CCCc3ccccc32)nc(C(C)C)[nH+]1 ZINC000301216176 336295271 /nfs/dbraw/zinc/29/52/71/336295271.db2.gz YZFXRGUTMIEUSA-IBGZPJMESA-N 1 2 311.429 3.544 10 0 DHAELO CCO[C@@H]1C[C@@H](N(C)c2cc[nH+]c(C3CC3)n2)C12CCCC2 ZINC000301342221 336301615 /nfs/dbraw/zinc/30/16/15/336301615.db2.gz IKUUSKQRRICRCO-HUUCEWRRSA-N 1 2 301.434 3.528 10 0 DHAELO Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cc[nH+]1 ZINC000119183521 336881389 /nfs/dbraw/zinc/88/13/89/336881389.db2.gz CKFSVFPPVNJDDT-AWEZNQCLSA-N 1 2 323.318 3.685 10 0 DHAELO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172029915 337090985 /nfs/dbraw/zinc/09/09/85/337090985.db2.gz SESOXJKMOZQUJT-SMDDNHRTSA-N 1 2 320.339 3.722 10 0 DHAELO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172029915 337090986 /nfs/dbraw/zinc/09/09/86/337090986.db2.gz SESOXJKMOZQUJT-SMDDNHRTSA-N 1 2 320.339 3.722 10 0 DHAELO CSCCC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000173601159 337136764 /nfs/dbraw/zinc/13/67/64/337136764.db2.gz UNTMCANPPMHDMG-GFCCVEGCSA-N 1 2 314.520 3.567 10 0 DHAELO CSCCC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000173601159 337136765 /nfs/dbraw/zinc/13/67/65/337136765.db2.gz UNTMCANPPMHDMG-GFCCVEGCSA-N 1 2 314.520 3.567 10 0 DHAELO Cc1ccc(CC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000173939396 337137685 /nfs/dbraw/zinc/13/76/85/337137685.db2.gz OQEDJHWPHPDXQR-MRXNPFEDSA-N 1 2 319.408 3.601 10 0 DHAELO Cc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000173943300 337137744 /nfs/dbraw/zinc/13/77/44/337137744.db2.gz AJLKAMXCOYEXIS-HNNXBMFYSA-N 1 2 305.381 3.672 10 0 DHAELO C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173937923 337137785 /nfs/dbraw/zinc/13/77/85/337137785.db2.gz NRJDOUTVFMPMAV-VYDXJSESSA-N 1 2 311.429 3.876 10 0 DHAELO COc1cccc([C@H](C)[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000175617967 337148579 /nfs/dbraw/zinc/14/85/79/337148579.db2.gz HHJYEMGLIYLJDJ-BBRMVZONSA-N 1 2 318.442 3.595 10 0 DHAELO COc1cccc([C@H](C)[N@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000175617967 337148580 /nfs/dbraw/zinc/14/85/80/337148580.db2.gz HHJYEMGLIYLJDJ-BBRMVZONSA-N 1 2 318.442 3.595 10 0 DHAELO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nnc(C2CC2)n1C ZINC000183535449 337192199 /nfs/dbraw/zinc/19/21/99/337192199.db2.gz NSRIRZYFYBCDLY-GFCCVEGCSA-N 1 2 310.401 3.598 10 0 DHAELO C[C@H]1C[C@@H](C(=O)NCCCCNc2cccc[nH+]2)CC(C)(C)C1 ZINC000183662962 337194001 /nfs/dbraw/zinc/19/40/01/337194001.db2.gz PLTNCSGLMJKKLT-JKSUJKDBSA-N 1 2 317.477 3.852 10 0 DHAELO CCC1CCC(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000106538581 337387091 /nfs/dbraw/zinc/38/70/91/337387091.db2.gz VDFLONXSEDYVAS-YMAMQOFZSA-N 1 2 304.438 3.615 10 0 DHAELO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195086568 337464894 /nfs/dbraw/zinc/46/48/94/337464894.db2.gz XXDSBXJHMNKKJK-ZWKOTPCHSA-N 1 2 322.387 3.700 10 0 DHAELO O=C([C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](c2ccccc2)CC1 ZINC000080637038 337680599 /nfs/dbraw/zinc/68/05/99/337680599.db2.gz GBNQQMBYTHBWTG-QZTJIDSGSA-N 1 2 323.440 3.557 10 0 DHAELO CCc1nc(C2([NH2+]CCSc3ccccc3)CCCC2)no1 ZINC000174237765 340384533 /nfs/dbraw/zinc/38/45/33/340384533.db2.gz QPGJAEWBARHSHX-UHFFFAOYSA-N 1 2 317.458 3.783 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc(F)c(Cl)c1)C2 ZINC000123299448 340704857 /nfs/dbraw/zinc/70/48/57/340704857.db2.gz DWCCQHFBLLDLTD-UHFFFAOYSA-N 1 2 321.827 3.894 10 0 DHAELO CC(C)[C@@H](C)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471256 341207898 /nfs/dbraw/zinc/20/78/98/341207898.db2.gz AHOTWFXEAVXYBK-GJZGRUSLSA-N 1 2 314.433 3.525 10 0 DHAELO CC(C)[C@@H](C)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471258 341207917 /nfs/dbraw/zinc/20/79/17/341207917.db2.gz AHOTWFXEAVXYBK-LSDHHAIUSA-N 1 2 314.433 3.525 10 0 DHAELO CC(C)Cc1noc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180731133 519477048 /nfs/dbraw/zinc/47/70/48/519477048.db2.gz NYZWXYRWUXFJOU-JTQLQIEISA-N 1 2 311.788 3.911 10 0 DHAELO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000183102821 519545374 /nfs/dbraw/zinc/54/53/74/519545374.db2.gz ANLLUGFLGNCAAV-NSHDSACASA-N 1 2 310.804 3.577 10 0 DHAELO CCC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(F)cc1F ZINC000181658936 520785036 /nfs/dbraw/zinc/78/50/36/520785036.db2.gz LSHWNGHXRUZJPS-OAHLLOKOSA-N 1 2 320.387 3.602 10 0 DHAELO CCc1nc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127750991 522304824 /nfs/dbraw/zinc/30/48/24/522304824.db2.gz UKTPKXLAFXHTLJ-GFCCVEGCSA-N 1 2 320.462 3.592 10 0 DHAELO CCc1nc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127750991 522304827 /nfs/dbraw/zinc/30/48/27/522304827.db2.gz UKTPKXLAFXHTLJ-GFCCVEGCSA-N 1 2 320.462 3.592 10 0 DHAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191337035 522518608 /nfs/dbraw/zinc/51/86/08/522518608.db2.gz IADUQPQFVIAEHE-GXSJLCMTSA-N 1 2 310.854 3.741 10 0 DHAELO CCn1c(C)nnc1C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000189997103 523155472 /nfs/dbraw/zinc/15/54/72/523155472.db2.gz FOZJFPGQUSOZMC-SECBINFHSA-N 1 2 313.232 3.764 10 0 DHAELO CCn1cc([C@@H]2C[N@@H+]([C@@H](C)c3ccccc3Cl)CCO2)cn1 ZINC000190744672 523465643 /nfs/dbraw/zinc/46/56/43/523465643.db2.gz YSAPMWDGTYNSAJ-GUYCJALGSA-N 1 2 319.836 3.691 10 0 DHAELO CCn1cc([C@@H]2C[N@H+]([C@@H](C)c3ccccc3Cl)CCO2)cn1 ZINC000190744672 523465652 /nfs/dbraw/zinc/46/56/52/523465652.db2.gz YSAPMWDGTYNSAJ-GUYCJALGSA-N 1 2 319.836 3.691 10 0 DHAELO CCn1cc([C@@H]2C[N@@H+]([C@@H](C)c3cccc(Cl)c3)CCO2)cn1 ZINC000190768078 523467030 /nfs/dbraw/zinc/46/70/30/523467030.db2.gz SHMKDDCFKHDAEO-GUYCJALGSA-N 1 2 319.836 3.691 10 0 DHAELO CCn1cc([C@@H]2C[N@H+]([C@@H](C)c3cccc(Cl)c3)CCO2)cn1 ZINC000190768078 523467037 /nfs/dbraw/zinc/46/70/37/523467037.db2.gz SHMKDDCFKHDAEO-GUYCJALGSA-N 1 2 319.836 3.691 10 0 DHAELO c1nnc([C@H]2CCCC[N@H+]2CCCSCc2ccccc2)[nH]1 ZINC000182735444 526603557 /nfs/dbraw/zinc/60/35/57/526603557.db2.gz JZZBGERZNTVFMU-MRXNPFEDSA-N 1 2 316.474 3.655 10 0 DHAELO c1nnc([C@H]2CCCC[N@@H+]2CCCSCc2ccccc2)[nH]1 ZINC000182735444 526603563 /nfs/dbraw/zinc/60/35/63/526603563.db2.gz JZZBGERZNTVFMU-MRXNPFEDSA-N 1 2 316.474 3.655 10 0 DHAELO c1nc([C@H]2CCCC[N@H+]2CCCSCc2ccccc2)n[nH]1 ZINC000182735444 526603567 /nfs/dbraw/zinc/60/35/67/526603567.db2.gz JZZBGERZNTVFMU-MRXNPFEDSA-N 1 2 316.474 3.655 10 0 DHAELO c1nc([C@H]2CCCC[N@@H+]2CCCSCc2ccccc2)n[nH]1 ZINC000182735444 526603571 /nfs/dbraw/zinc/60/35/71/526603571.db2.gz JZZBGERZNTVFMU-MRXNPFEDSA-N 1 2 316.474 3.655 10 0 DHAELO Cc1nc(C[NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)no1 ZINC000181734451 526891199 /nfs/dbraw/zinc/89/11/99/526891199.db2.gz HFTBZVLOYRHVQG-ZDUSSCGKSA-N 1 2 303.406 3.654 10 0 DHAELO O=Cc1ccc(C(Nc2ccccn2)Nc2cccc[nH+]2)cc1 ZINC000090669090 185308929 /nfs/dbraw/zinc/30/89/29/185308929.db2.gz ICMCHBDLNBJVHR-UHFFFAOYSA-N 1 2 304.353 3.512 10 0 DHAELO CCCOc1cccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831760 185344582 /nfs/dbraw/zinc/34/45/82/185344582.db2.gz LGWODCIHMKFQBO-MRXNPFEDSA-N 1 2 318.442 3.505 10 0 DHAELO CCCOc1cccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831760 185344583 /nfs/dbraw/zinc/34/45/83/185344583.db2.gz LGWODCIHMKFQBO-MRXNPFEDSA-N 1 2 318.442 3.505 10 0 DHAELO CCC(C)(C)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000190517375 334942179 /nfs/dbraw/zinc/94/21/79/334942179.db2.gz ICEDDVWEZFAFIY-CQSZACIVSA-N 1 2 314.433 3.669 10 0 DHAELO CCN(c1ccccc1)c1nc[nH+]c(N2CCCCCC2)c1N ZINC000040679481 183116610 /nfs/dbraw/zinc/11/66/10/183116610.db2.gz XBRPCIVRUFUUCA-UHFFFAOYSA-N 1 2 311.433 3.597 10 0 DHAELO CC(C)(C)Nc1nc[nH+]c(Nc2ccc(F)c(Cl)c2)c1N ZINC000040680675 183117429 /nfs/dbraw/zinc/11/74/29/183117429.db2.gz ILXWQHRPMSNGOE-UHFFFAOYSA-N 1 2 309.776 3.805 10 0 DHAELO CC(C)(C)Nc1[nH+]cnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040680675 183117431 /nfs/dbraw/zinc/11/74/31/183117431.db2.gz ILXWQHRPMSNGOE-UHFFFAOYSA-N 1 2 309.776 3.805 10 0 DHAELO Nc1c(Nc2cccc3ccccc32)nc[nH+]c1N1CCCC1 ZINC000040724322 183124631 /nfs/dbraw/zinc/12/46/31/183124631.db2.gz DHXDTDLXIZIEMU-UHFFFAOYSA-N 1 2 305.385 3.556 10 0 DHAELO Nc1c(N2CCCC2)nc[nH+]c1Nc1cccc2ccccc21 ZINC000040724322 183124634 /nfs/dbraw/zinc/12/46/34/183124634.db2.gz DHXDTDLXIZIEMU-UHFFFAOYSA-N 1 2 305.385 3.556 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)c1cccc(F)c1)C2 ZINC000106370959 194202456 /nfs/dbraw/zinc/20/24/56/194202456.db2.gz MHOOJVMQJYWLQZ-ZDUSSCGKSA-N 1 2 301.409 3.802 10 0 DHAELO CCn1cc[nH+]c1CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182609204 333179032 /nfs/dbraw/zinc/17/90/32/333179032.db2.gz VQURCVZQZKFVNJ-CYBMUJFWSA-N 1 2 319.277 3.574 10 0 DHAELO c1csc(-c2n[nH]c(CNc3ccc4ccccc4[nH+]3)n2)c1 ZINC000301545914 336313880 /nfs/dbraw/zinc/31/38/80/336313880.db2.gz DNSZDMJOVHMTOA-UHFFFAOYSA-N 1 2 307.382 3.694 10 0 DHAELO CC[S@](=O)[C@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301575167 336315973 /nfs/dbraw/zinc/31/59/73/336315973.db2.gz SISFYYQPDPJVOU-OABGYEMISA-N 1 2 320.380 3.592 10 0 DHAELO CC(C)(C)c1nc(NCCc2ccc(Br)o2)cc[nH+]1 ZINC000301679741 336322977 /nfs/dbraw/zinc/32/29/77/336322977.db2.gz FANJJDOZTXWUKU-UHFFFAOYSA-N 1 2 324.222 3.784 10 0 DHAELO c1ccc(OC[C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000301853413 336334297 /nfs/dbraw/zinc/33/42/97/336334297.db2.gz CDLDBSJWKYGEMN-HNNXBMFYSA-N 1 2 307.397 3.858 10 0 DHAELO CC(C)(C)c1cc(NCCCc2cc[nH]n2)nc(C(C)(C)C)[nH+]1 ZINC000302793182 336369389 /nfs/dbraw/zinc/36/93/89/336369389.db2.gz ZOWKYVPKGMJZKM-UHFFFAOYSA-N 1 2 315.465 3.839 10 0 DHAELO Cc1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)o1 ZINC000173944328 337137712 /nfs/dbraw/zinc/13/77/12/337137712.db2.gz WSAVSRDEFVVAHH-CYBMUJFWSA-N 1 2 309.369 3.573 10 0 DHAELO Cc1csc([C@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)n1 ZINC000177697816 337158478 /nfs/dbraw/zinc/15/84/78/337158478.db2.gz GSNZPKBNVSTNCX-HZPDHXFCSA-N 1 2 318.417 3.651 10 0 DHAELO Cc1csc([C@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)n1 ZINC000177697816 337158479 /nfs/dbraw/zinc/15/84/79/337158479.db2.gz GSNZPKBNVSTNCX-HZPDHXFCSA-N 1 2 318.417 3.651 10 0 DHAELO C[C@H]1C[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)CC(C)(C)C1 ZINC000183535990 337192077 /nfs/dbraw/zinc/19/20/77/337192077.db2.gz HVWPIZJYUCIVNY-GJZGRUSLSA-N 1 2 303.450 3.509 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)c(Br)c2)o1 ZINC000227556408 337249402 /nfs/dbraw/zinc/24/94/02/337249402.db2.gz VFUSVTYTJHICEK-LLVKDONJSA-N 1 2 309.207 3.905 10 0 DHAELO CCc1nnc(C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)n1C ZINC000186181324 337254150 /nfs/dbraw/zinc/25/41/50/337254150.db2.gz XPALHTCBQCKLIT-SECBINFHSA-N 1 2 313.232 3.535 10 0 DHAELO C[C@@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1cccs1 ZINC000189189823 337277222 /nfs/dbraw/zinc/27/72/22/337277222.db2.gz ZPNAHCZEMCVGAY-SNVBAGLBSA-N 1 2 303.362 3.788 10 0 DHAELO Cc1csc([C@H]2CCCN(c3cc[nH+]c(C(C)C)n3)C2)n1 ZINC000110411055 337389079 /nfs/dbraw/zinc/38/90/79/337389079.db2.gz VWECEZAATDOTPE-ZDUSSCGKSA-N 1 2 302.447 3.749 10 0 DHAELO Cc1csc([C@H]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)n1 ZINC000116260473 337392568 /nfs/dbraw/zinc/39/25/68/337392568.db2.gz MYDKYAYVXKOBRN-AWEZNQCLSA-N 1 2 314.458 3.811 10 0 DHAELO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccco3)n2)cc1 ZINC000116293300 337392574 /nfs/dbraw/zinc/39/25/74/337392574.db2.gz OHQVZCJAAUTMMF-CQSZACIVSA-N 1 2 313.332 3.806 10 0 DHAELO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccco3)n2)cc1 ZINC000116293300 337392575 /nfs/dbraw/zinc/39/25/75/337392575.db2.gz OHQVZCJAAUTMMF-CQSZACIVSA-N 1 2 313.332 3.806 10 0 DHAELO Cc1cccc2[nH+]c(CN3CCCC[C@@H]3c3nccs3)cn21 ZINC000195359504 337466192 /nfs/dbraw/zinc/46/61/92/337466192.db2.gz GHHDPZNENVDAGX-OAHLLOKOSA-N 1 2 312.442 3.826 10 0 DHAELO C[C@@H]1C[NH+](Cc2ncc(-c3ccccc3Cl)o2)C[C@@H](C)O1 ZINC000075589572 337556634 /nfs/dbraw/zinc/55/66/34/337556634.db2.gz NPBWISHHUXPCFH-VXGBXAGGSA-N 1 2 306.793 3.604 10 0 DHAELO C[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000248582166 337565833 /nfs/dbraw/zinc/56/58/33/337565833.db2.gz QGISDGZHQQIALX-KFWWJZLASA-N 1 2 303.450 3.926 10 0 DHAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000077365452 337579124 /nfs/dbraw/zinc/57/91/24/337579124.db2.gz SNPZSRVOOOOOEO-RYUDHWBXSA-N 1 2 306.793 3.604 10 0 DHAELO CCn1cc[nH+]c1CSCc1csc(-c2ccccn2)n1 ZINC000083633035 337995821 /nfs/dbraw/zinc/99/58/21/337995821.db2.gz HIMCLQIXNVWNFU-UHFFFAOYSA-N 1 2 316.455 3.855 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1sccc1Cl)C2 ZINC000194390526 340591955 /nfs/dbraw/zinc/59/19/55/340591955.db2.gz VFEOXMIWHVMZNR-UHFFFAOYSA-N 1 2 309.866 3.817 10 0 DHAELO C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000132394044 341121835 /nfs/dbraw/zinc/12/18/35/341121835.db2.gz DQJPFXBLSFWMAO-PMPSAXMXSA-N 1 2 311.429 3.876 10 0 DHAELO CCN(CC)C(=O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000135129695 341231952 /nfs/dbraw/zinc/23/19/52/341231952.db2.gz TZGLNAYQPXMQJU-SECBINFHSA-N 1 2 321.223 3.652 10 0 DHAELO CC(C)Cc1noc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180731152 519477365 /nfs/dbraw/zinc/47/73/65/519477365.db2.gz NYZWXYRWUXFJOU-SNVBAGLBSA-N 1 2 311.788 3.911 10 0 DHAELO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2cccs2)n1 ZINC000182552155 519759812 /nfs/dbraw/zinc/75/98/12/519759812.db2.gz JWQFKUDNIKOBOI-NEPJUHHUSA-N 1 2 309.435 3.716 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccccc1Cl)C2 ZINC000106371983 519869047 /nfs/dbraw/zinc/86/90/47/519869047.db2.gz MUHCEIZWPFFZKQ-UHFFFAOYSA-N 1 2 303.837 3.755 10 0 DHAELO CCN(CC)C(=O)c1ccccc1NCc1[nH+]ccn1C(C)C ZINC000124207400 520563457 /nfs/dbraw/zinc/56/34/57/520563457.db2.gz MEPQPMCZECKYBP-UHFFFAOYSA-N 1 2 314.433 3.558 10 0 DHAELO CCCc1noc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000181390231 521585675 /nfs/dbraw/zinc/58/56/75/521585675.db2.gz HFTHGFLHKMOEIO-CQSZACIVSA-N 1 2 317.433 3.908 10 0 DHAELO COC(=O)c1ccccc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000127616369 522260910 /nfs/dbraw/zinc/26/09/10/522260910.db2.gz LZEJKBQHAXNJAX-OAHLLOKOSA-N 1 2 316.426 3.657 10 0 DHAELO COC(=O)c1ccccc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000127616369 522260922 /nfs/dbraw/zinc/26/09/22/522260922.db2.gz LZEJKBQHAXNJAX-OAHLLOKOSA-N 1 2 316.426 3.657 10 0 DHAELO CCc1nc(C[NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)no1 ZINC000181734493 522348302 /nfs/dbraw/zinc/34/83/02/522348302.db2.gz FNJNOPLDIQVKPJ-AWEZNQCLSA-N 1 2 317.433 3.908 10 0 DHAELO CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000127747190 522653313 /nfs/dbraw/zinc/65/33/13/522653313.db2.gz FGTZEJHGYAZXJR-MRXNPFEDSA-N 1 2 318.490 3.729 10 0 DHAELO CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000127747190 522653325 /nfs/dbraw/zinc/65/33/25/522653325.db2.gz FGTZEJHGYAZXJR-MRXNPFEDSA-N 1 2 318.490 3.729 10 0 DHAELO CC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(Cl)c1F ZINC000161754999 522752145 /nfs/dbraw/zinc/75/21/45/522752145.db2.gz KLHYVFWJXYADHG-STQMWFEESA-N 1 2 308.788 3.646 10 0 DHAELO CC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1cccc(Cl)c1F ZINC000161880398 522948171 /nfs/dbraw/zinc/94/81/71/522948171.db2.gz FPMIAJLWGRXPSU-KGLIPLIRSA-N 1 2 322.815 3.955 10 0 DHAELO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1OC ZINC000127699509 524026180 /nfs/dbraw/zinc/02/61/80/524026180.db2.gz PJMNPDXLEBUOHI-AWEZNQCLSA-N 1 2 318.442 3.888 10 0 DHAELO COc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1OC ZINC000127699509 524026185 /nfs/dbraw/zinc/02/61/85/524026185.db2.gz PJMNPDXLEBUOHI-AWEZNQCLSA-N 1 2 318.442 3.888 10 0 DHAELO Cc1ccc(F)cc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000180127561 524850544 /nfs/dbraw/zinc/85/05/44/524850544.db2.gz RMRWTKNUAWYZCC-UHFFFAOYSA-N 1 2 301.409 3.549 10 0 DHAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(-c2ccccc2)o1 ZINC000164795867 525617841 /nfs/dbraw/zinc/61/78/41/525617841.db2.gz GMJLXUMHAZZFSD-ZFWWWQNUSA-N 1 2 308.385 3.724 10 0 DHAELO Cc1ccnc(-c2ccc(NCc3[nH+]ccn3C(C)C)cc2)n1 ZINC000124501449 525628239 /nfs/dbraw/zinc/62/82/39/525628239.db2.gz LNOBOZQEXHKFOP-UHFFFAOYSA-N 1 2 307.401 3.842 10 0 DHAELO C[C@@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1cccc(O)c1 ZINC000246135833 525699140 /nfs/dbraw/zinc/69/91/40/525699140.db2.gz JXNVKNYSUYEEKP-UONOGXRCSA-N 1 2 312.417 3.592 10 0 DHAELO C[C@@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1cccc(O)c1 ZINC000246135833 525699153 /nfs/dbraw/zinc/69/91/53/525699153.db2.gz JXNVKNYSUYEEKP-UONOGXRCSA-N 1 2 312.417 3.592 10 0 DHAELO COc1cc(C)[nH+]c2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000035536954 563872401 /nfs/dbraw/zinc/87/24/01/563872401.db2.gz QCQFTWMMAJNHLP-UHFFFAOYSA-N 1 2 310.328 3.943 10 0 DHAELO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2cccs2)CC1 ZINC000226254140 563913314 /nfs/dbraw/zinc/91/33/14/563913314.db2.gz OZKODGCYFZODOM-UHFFFAOYSA-N 1 2 315.442 3.819 10 0 DHAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2cccc(F)c2)c1 ZINC000226255004 563913318 /nfs/dbraw/zinc/91/33/18/563913318.db2.gz GTZLSERWUPWVLA-UHFFFAOYSA-N 1 2 313.376 3.651 10 0 DHAELO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)Cc1ccccc1 ZINC000226253795 563913397 /nfs/dbraw/zinc/91/33/97/563913397.db2.gz IZKKRGVUWRCISQ-HNNXBMFYSA-N 1 2 323.440 3.829 10 0 DHAELO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)Cc1ccccc1 ZINC000226253795 563913398 /nfs/dbraw/zinc/91/33/98/563913398.db2.gz IZKKRGVUWRCISQ-HNNXBMFYSA-N 1 2 323.440 3.829 10 0 DHAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000090226117 185287689 /nfs/dbraw/zinc/28/76/89/185287689.db2.gz NKDMROPXYJQAJW-OTYXRUKQSA-N 1 2 308.788 3.565 10 0 DHAELO CCn1c(C)nnc1C[N@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000092428330 185317344 /nfs/dbraw/zinc/31/73/44/185317344.db2.gz NRARBAFQDPIFNK-UHFFFAOYSA-N 1 2 310.445 3.513 10 0 DHAELO CCn1c(C)nnc1C[N@@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000092428330 185317345 /nfs/dbraw/zinc/31/73/45/185317345.db2.gz NRARBAFQDPIFNK-UHFFFAOYSA-N 1 2 310.445 3.513 10 0 DHAELO Cc1cc2c(ncnc2Nc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000134550097 335001218 /nfs/dbraw/zinc/00/12/18/335001218.db2.gz DQVAUSBYSZCRAK-UHFFFAOYSA-N 1 2 321.409 3.988 10 0 DHAELO Nc1ccc2[nH]c(-c3ccc(Br)cc3F)[nH+]c2c1 ZINC000019487130 182124946 /nfs/dbraw/zinc/12/49/46/182124946.db2.gz XXOIRMNNUBXVSN-UHFFFAOYSA-N 1 2 306.138 3.714 10 0 DHAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)N(C(C)C)C(C)C ZINC000040231371 183047785 /nfs/dbraw/zinc/04/77/85/183047785.db2.gz JGUAYZJYWHPVFA-UHFFFAOYSA-N 1 2 301.434 3.805 10 0 DHAELO CNc1[nH+]cnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682390 183117057 /nfs/dbraw/zinc/11/70/57/183117057.db2.gz ZDWRAQVRSROPQU-UHFFFAOYSA-N 1 2 317.702 3.516 10 0 DHAELO CCCNc1[nH+]cnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701703 183120210 /nfs/dbraw/zinc/12/02/10/183120210.db2.gz JWGRRQHWMKHBTN-UHFFFAOYSA-N 1 2 311.311 3.643 10 0 DHAELO CCCCOc1ccc(Nc2[nH+]cnc(NCCC)c2N)cc1 ZINC000040707691 183120790 /nfs/dbraw/zinc/12/07/90/183120790.db2.gz JYLKQRBBASTPSH-UHFFFAOYSA-N 1 2 315.421 3.803 10 0 DHAELO CCCCOc1ccc(Nc2nc[nH+]c(NCCC)c2N)cc1 ZINC000040707691 183120792 /nfs/dbraw/zinc/12/07/92/183120792.db2.gz JYLKQRBBASTPSH-UHFFFAOYSA-N 1 2 315.421 3.803 10 0 DHAELO CCN(CC)c1[nH+]cnc(Nc2cccc3ccccc32)c1N ZINC000040723200 183124988 /nfs/dbraw/zinc/12/49/88/183124988.db2.gz ODEPKJASLAFKQC-UHFFFAOYSA-N 1 2 307.401 3.802 10 0 DHAELO CCN(CC)c1nc[nH+]c(Nc2cccc3ccccc32)c1N ZINC000040723200 183124990 /nfs/dbraw/zinc/12/49/90/183124990.db2.gz ODEPKJASLAFKQC-UHFFFAOYSA-N 1 2 307.401 3.802 10 0 DHAELO Cc1cc2ccccc2[nH+]c1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186142380 332915038 /nfs/dbraw/zinc/91/50/38/332915038.db2.gz LYVKOKQXMYJVFJ-IRXDYDNUSA-N 1 2 324.449 3.817 10 0 DHAELO Fc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)ccc1OC(F)F ZINC000091978703 332116443 /nfs/dbraw/zinc/11/64/43/332116443.db2.gz PZESPBWGPVAOQI-ZFWWWQNUSA-N 1 2 315.335 3.571 10 0 DHAELO Fc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)ccc1OC(F)F ZINC000091978703 332116445 /nfs/dbraw/zinc/11/64/45/332116445.db2.gz PZESPBWGPVAOQI-ZFWWWQNUSA-N 1 2 315.335 3.571 10 0 DHAELO C[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCS1 ZINC000301192288 336294150 /nfs/dbraw/zinc/29/41/50/336294150.db2.gz MBBCUUPLDSIECO-SNVBAGLBSA-N 1 2 323.259 3.939 10 0 DHAELO C[C@H]1CCCN(c2cc(NCc3cc4ccccc4[nH]3)[nH+]cn2)C1 ZINC000301250770 336296855 /nfs/dbraw/zinc/29/68/55/336296855.db2.gz PPWCWMVBAYIZRO-AWEZNQCLSA-N 1 2 321.428 3.806 10 0 DHAELO C[C@H]1CCCN(c2cc(NCc3cc4ccccc4[nH]3)nc[nH+]2)C1 ZINC000301250770 336296856 /nfs/dbraw/zinc/29/68/56/336296856.db2.gz PPWCWMVBAYIZRO-AWEZNQCLSA-N 1 2 321.428 3.806 10 0 DHAELO CCO[C@H]1C[C@H](N(C)c2cc[nH+]c(C3CC3)n2)C12CCCC2 ZINC000301342220 336301627 /nfs/dbraw/zinc/30/16/27/336301627.db2.gz IKUUSKQRRICRCO-GJZGRUSLSA-N 1 2 301.434 3.528 10 0 DHAELO CCS[C@H]1CC[C@]1(O)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000301667866 336322192 /nfs/dbraw/zinc/32/21/92/336322192.db2.gz MJTHKMNZYIPFCN-RDJZCZTQSA-N 1 2 320.433 3.741 10 0 DHAELO Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c2cccc(F)c2[nH+]1 ZINC000301680939 336323066 /nfs/dbraw/zinc/32/30/66/336323066.db2.gz RWVFBQXWYMYELI-XWIAVFTESA-N 1 2 314.404 3.932 10 0 DHAELO Cc1ccc([C@](C)(O)CNc2cc(C)[nH+]c3c(F)cccc23)o1 ZINC000301696891 336324214 /nfs/dbraw/zinc/32/42/14/336324214.db2.gz ZJSZCSMVTHVSND-GOSISDBHSA-N 1 2 314.360 3.903 10 0 DHAELO O[C@H](C[C@@H]1CCCN1c1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000301897977 336337015 /nfs/dbraw/zinc/33/70/15/336337015.db2.gz WIIYGFPDYDVQJK-MAUKXSAKSA-N 1 2 307.397 3.655 10 0 DHAELO Cc1nc(N[C@H]2CCO[C@@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302123217 336349611 /nfs/dbraw/zinc/34/96/11/336349611.db2.gz YSEXVNCATDKDBB-ZWKOTPCHSA-N 1 2 309.413 3.606 10 0 DHAELO Cc1nc(N[C@H]2CCOC3(CCCC3)C2)c2c([nH+]1)CCCC2 ZINC000302124002 336349632 /nfs/dbraw/zinc/34/96/32/336349632.db2.gz ZBAMYTMJZRQFHK-AWEZNQCLSA-N 1 2 301.434 3.568 10 0 DHAELO CCc1noc([C@@H](C)[NH2+][C@H](C)c2cccc(Br)c2)n1 ZINC000114746921 336670615 /nfs/dbraw/zinc/67/06/15/336670615.db2.gz OHHDCOYTFDUCBR-NXEZZACHSA-N 1 2 324.222 3.806 10 0 DHAELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172029917 337090993 /nfs/dbraw/zinc/09/09/93/337090993.db2.gz SESOXJKMOZQUJT-BXUZGUMPSA-N 1 2 320.339 3.722 10 0 DHAELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172029917 337090994 /nfs/dbraw/zinc/09/09/94/337090994.db2.gz SESOXJKMOZQUJT-BXUZGUMPSA-N 1 2 320.339 3.722 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2nnc(C(C)C)n2C)o1 ZINC000172870700 337131694 /nfs/dbraw/zinc/13/16/94/337131694.db2.gz PCTBVEDWUILLDW-CQSZACIVSA-N 1 2 302.422 3.567 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nnc(C(C)C)n2C)o1 ZINC000172870700 337131695 /nfs/dbraw/zinc/13/16/95/337131695.db2.gz PCTBVEDWUILLDW-CQSZACIVSA-N 1 2 302.422 3.567 10 0 DHAELO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000173621593 337136863 /nfs/dbraw/zinc/13/68/63/337136863.db2.gz KMGXMIHIZRSLRL-XHDPSFHLSA-N 1 2 320.387 3.695 10 0 DHAELO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1nnc2n1CCCC2 ZINC000173627563 337136965 /nfs/dbraw/zinc/13/69/65/337136965.db2.gz HKCFKYBAQIVAFM-QWRGUYRKSA-N 1 2 322.815 3.819 10 0 DHAELO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000173895201 337138839 /nfs/dbraw/zinc/13/88/39/337138839.db2.gz KBYHNHAAOYAOLQ-ZIAGYGMSSA-N 1 2 319.405 3.733 10 0 DHAELO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000173895201 337138840 /nfs/dbraw/zinc/13/88/40/337138840.db2.gz KBYHNHAAOYAOLQ-ZIAGYGMSSA-N 1 2 319.405 3.733 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(Br)cs2)o1 ZINC000220910405 337167176 /nfs/dbraw/zinc/16/71/76/337167176.db2.gz GOSMSBLTLVOIPT-QMMMGPOBSA-N 1 2 301.209 3.658 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2nnc(C3CCC3)n2C)o1 ZINC000181376429 337181654 /nfs/dbraw/zinc/18/16/54/337181654.db2.gz JHKABUQDANXPBJ-HNNXBMFYSA-N 1 2 314.433 3.711 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2nnc(C3CCC3)n2C)o1 ZINC000181376429 337181655 /nfs/dbraw/zinc/18/16/55/337181655.db2.gz JHKABUQDANXPBJ-HNNXBMFYSA-N 1 2 314.433 3.711 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2nnc(C3CCC3)n2C)o1 ZINC000181376443 337181777 /nfs/dbraw/zinc/18/17/77/337181777.db2.gz JHKABUQDANXPBJ-OAHLLOKOSA-N 1 2 314.433 3.711 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nnc(C3CCC3)n2C)o1 ZINC000181376443 337181778 /nfs/dbraw/zinc/18/17/78/337181778.db2.gz JHKABUQDANXPBJ-OAHLLOKOSA-N 1 2 314.433 3.711 10 0 DHAELO C[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(F)c(Cl)c1 ZINC000181714240 337183834 /nfs/dbraw/zinc/18/38/34/337183834.db2.gz UEOOVRIVUBFHRH-JTQLQIEISA-N 1 2 322.815 3.726 10 0 DHAELO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000182931465 337190740 /nfs/dbraw/zinc/19/07/40/337190740.db2.gz MKAODLILIXWWBB-WMLDXEAASA-N 1 2 308.381 3.726 10 0 DHAELO C[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000183532086 337192206 /nfs/dbraw/zinc/19/22/06/337192206.db2.gz QGISDGZHQQIALX-QLFBSQMISA-N 1 2 303.450 3.926 10 0 DHAELO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000184660814 337199777 /nfs/dbraw/zinc/19/97/77/337199777.db2.gz VNWNFSXODNFWMO-QWRGUYRKSA-N 1 2 322.815 3.819 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Br)c(C)c2)o1 ZINC000231525808 337277313 /nfs/dbraw/zinc/27/73/13/337277313.db2.gz OIPHQSDWGORLJP-NSHDSACASA-N 1 2 309.207 3.905 10 0 DHAELO Fc1ccc(CCn2c[nH+]cc2-c2ccnc3cnccc32)cc1 ZINC000584615959 337372871 /nfs/dbraw/zinc/37/28/71/337372871.db2.gz GVMDLIKIUQNZFA-UHFFFAOYSA-N 1 2 318.355 3.875 10 0 DHAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1cc2ccccc2o1 ZINC000131133594 337436519 /nfs/dbraw/zinc/43/65/19/337436519.db2.gz CRAIPTLPLIRADW-CHWSQXEVSA-N 1 2 310.401 3.772 10 0 DHAELO CCn1cc[nH+]c1CSCc1cc(Cl)c2c(c1)OCCO2 ZINC000083631888 337995903 /nfs/dbraw/zinc/99/59/03/337995903.db2.gz JSCISWDHCYRAQZ-UHFFFAOYSA-N 1 2 324.833 3.761 10 0 DHAELO CCn1cc[nH+]c1CSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 ZINC000127012255 340841133 /nfs/dbraw/zinc/84/11/33/340841133.db2.gz NTJAMVLQZGQJJL-OCCSQVGLSA-N 1 2 319.478 3.846 10 0 DHAELO CCCC(C)(C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876390 341154148 /nfs/dbraw/zinc/15/41/48/341154148.db2.gz UCROMCWROMOHEP-AWEZNQCLSA-N 1 2 314.433 3.811 10 0 DHAELO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC000081567510 341296634 /nfs/dbraw/zinc/29/66/34/341296634.db2.gz MNPRGRNGCHADMZ-AWEZNQCLSA-N 1 2 314.429 3.705 10 0 DHAELO Cc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC000081567510 341296635 /nfs/dbraw/zinc/29/66/35/341296635.db2.gz MNPRGRNGCHADMZ-AWEZNQCLSA-N 1 2 314.429 3.705 10 0 DHAELO CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247479023 341365639 /nfs/dbraw/zinc/36/56/39/341365639.db2.gz UHABKRHPXOOLEC-SOUVJXGZSA-N 1 2 314.433 3.667 10 0 DHAELO CC(=O)Nc1nc(C[N@@H+]2CCCC[C@H]2c2ccc(C)o2)cs1 ZINC000130927034 519752434 /nfs/dbraw/zinc/75/24/34/519752434.db2.gz AVJYMKZNPZDRFG-AWEZNQCLSA-N 1 2 319.430 3.730 10 0 DHAELO CC(=O)Nc1nc(C[N@H+]2CCCC[C@H]2c2ccc(C)o2)cs1 ZINC000130927034 519752436 /nfs/dbraw/zinc/75/24/36/519752436.db2.gz AVJYMKZNPZDRFG-AWEZNQCLSA-N 1 2 319.430 3.730 10 0 DHAELO CCC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(F)cc1F ZINC000181658792 521166486 /nfs/dbraw/zinc/16/64/86/521166486.db2.gz LSHWNGHXRUZJPS-HNNXBMFYSA-N 1 2 320.387 3.602 10 0 DHAELO CCc1nc(C2([NH2+]Cc3cc(F)ccc3C)CCCC2)no1 ZINC000180159856 522242850 /nfs/dbraw/zinc/24/28/50/522242850.db2.gz CLOQWVQFOBYJIJ-UHFFFAOYSA-N 1 2 303.381 3.639 10 0 DHAELO COC[C@H](C)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000103430964 522555227 /nfs/dbraw/zinc/55/52/27/522555227.db2.gz ILMSKUAKHQKJNP-AWEZNQCLSA-N 1 2 323.396 3.531 10 0 DHAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000181390400 522744278 /nfs/dbraw/zinc/74/42/78/522744278.db2.gz WAACHZSVNPFNSN-ZDUSSCGKSA-N 1 2 303.406 3.518 10 0 DHAELO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190749571 522933243 /nfs/dbraw/zinc/93/32/43/522933243.db2.gz OJSWDLQYPMDFLV-MSOLQXFVSA-N 1 2 317.408 3.567 10 0 DHAELO CC[C@H](c1ccc(F)cc1)[N@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190749571 522933252 /nfs/dbraw/zinc/93/32/52/522933252.db2.gz OJSWDLQYPMDFLV-MSOLQXFVSA-N 1 2 317.408 3.567 10 0 DHAELO CC[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(Cl)c1F ZINC000161755086 522948082 /nfs/dbraw/zinc/94/80/82/522948082.db2.gz KLHYVFWJXYADHG-OLZOCXBDSA-N 1 2 308.788 3.646 10 0 DHAELO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000237226109 523294879 /nfs/dbraw/zinc/29/48/79/523294879.db2.gz QGIBUXFXBSWIMG-NSHDSACASA-N 1 2 300.431 3.672 10 0 DHAELO Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176334195 524893984 /nfs/dbraw/zinc/89/39/84/524893984.db2.gz NTRHKIFHLHNTGT-CQSZACIVSA-N 1 2 318.808 3.541 10 0 DHAELO Fc1ccccc1[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000124433877 526416172 /nfs/dbraw/zinc/41/61/72/526416172.db2.gz WCOYTCLVJATOAX-FQEVSTJZSA-N 1 2 322.383 3.947 10 0 DHAELO Fc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000124433877 526416176 /nfs/dbraw/zinc/41/61/76/526416176.db2.gz WCOYTCLVJATOAX-FQEVSTJZSA-N 1 2 322.383 3.947 10 0 DHAELO Cc1csc([C@@H]2C[N@H+](Cc3ccc(Cl)cc3)CCO2)n1 ZINC000157077099 526423996 /nfs/dbraw/zinc/42/39/96/526423996.db2.gz NPENCUZGYSAYLL-AWEZNQCLSA-N 1 2 308.834 3.678 10 0 DHAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)CCO2)n1 ZINC000157077099 526424000 /nfs/dbraw/zinc/42/40/00/526424000.db2.gz NPENCUZGYSAYLL-AWEZNQCLSA-N 1 2 308.834 3.678 10 0 DHAELO Clc1ccc(SCC[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182696049 526959398 /nfs/dbraw/zinc/95/93/98/526959398.db2.gz PUPXWLJLSCFRLL-CQSZACIVSA-N 1 2 322.865 3.777 10 0 DHAELO Clc1ccc(SCC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182696049 526959401 /nfs/dbraw/zinc/95/94/01/526959401.db2.gz PUPXWLJLSCFRLL-CQSZACIVSA-N 1 2 322.865 3.777 10 0 DHAELO Cc1csc([C@H]2C[N@H+](Cc3ccc(C)c(C)c3)CCO2)n1 ZINC000092790177 185341167 /nfs/dbraw/zinc/34/11/67/185341167.db2.gz LVODNANHOYIOKT-MRXNPFEDSA-N 1 2 302.443 3.642 10 0 DHAELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(C)c(C)c3)CCO2)n1 ZINC000092790177 185341168 /nfs/dbraw/zinc/34/11/68/185341168.db2.gz LVODNANHOYIOKT-MRXNPFEDSA-N 1 2 302.443 3.642 10 0 DHAELO CCCOc1cccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831759 185344619 /nfs/dbraw/zinc/34/46/19/185344619.db2.gz LGWODCIHMKFQBO-INIZCTEOSA-N 1 2 318.442 3.505 10 0 DHAELO CCCOc1cccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831759 185344620 /nfs/dbraw/zinc/34/46/20/185344620.db2.gz LGWODCIHMKFQBO-INIZCTEOSA-N 1 2 318.442 3.505 10 0 DHAELO CC(C)[NH+](c1ccc(N)cc1C(=O)N1CCCC[C@H]1C)C(C)C ZINC000226323547 201775539 /nfs/dbraw/zinc/77/55/39/201775539.db2.gz RJUXREOHINSVPW-OAHLLOKOSA-N 1 2 317.477 3.907 10 0 DHAELO COc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000005238441 181220816 /nfs/dbraw/zinc/22/08/16/181220816.db2.gz YMIOSZBYEIOSEF-UHFFFAOYSA-N 1 2 323.396 3.807 10 0 DHAELO [NH3+][C@H]1c2ccsc2N=CN1c1ccccc1Br ZINC000257354363 203068136 /nfs/dbraw/zinc/06/81/36/203068136.db2.gz XHVNEHQGRUMVOZ-LLVKDONJSA-N 1 2 308.204 3.648 10 0 DHAELO CCc1ccc(Nc2[nH+]cnc(N3CCCCCC3)c2N)cc1 ZINC000040688417 183117867 /nfs/dbraw/zinc/11/78/67/183117867.db2.gz PFBDVHLTIWOAPS-UHFFFAOYSA-N 1 2 311.433 3.745 10 0 DHAELO CCN(CC)c1nc[nH+]c(Nc2ccc(Cl)cc2C)c1N ZINC000040703135 183119799 /nfs/dbraw/zinc/11/97/99/183119799.db2.gz NCWBCVYKCCVTLH-UHFFFAOYSA-N 1 2 305.813 3.610 10 0 DHAELO Cc1ccc(C)c(Nc2[nH+]cnc(N3CCCCCC3)c2N)c1 ZINC000040704393 183120118 /nfs/dbraw/zinc/12/01/18/183120118.db2.gz LQZZHJDTIARVCZ-UHFFFAOYSA-N 1 2 311.433 3.800 10 0 DHAELO Nc1c(Nc2ccc(Cl)cn2)nc[nH+]c1NC1CCCCC1 ZINC000040708557 183121171 /nfs/dbraw/zinc/12/11/71/183121171.db2.gz OADHVTQEBXEGMO-UHFFFAOYSA-N 1 2 318.812 3.595 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)c1c(F)cccc1F)C2 ZINC000106370338 194201830 /nfs/dbraw/zinc/20/18/30/194201830.db2.gz CLZTYSYJWXVYTR-GFCCVEGCSA-N 1 2 319.399 3.941 10 0 DHAELO CC(C)Nc1nc(Cl)c2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000057345906 184034487 /nfs/dbraw/zinc/03/44/87/184034487.db2.gz QMCIBOHKGGJLJR-UHFFFAOYSA-N 1 2 316.836 3.509 10 0 DHAELO CC(C)Nc1nc(Cl)c2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000057345906 184034489 /nfs/dbraw/zinc/03/44/89/184034489.db2.gz QMCIBOHKGGJLJR-UHFFFAOYSA-N 1 2 316.836 3.509 10 0 DHAELO CCCn1cc[nH+]c1CNc1cc(Br)ccc1C ZINC000061877885 184192113 /nfs/dbraw/zinc/19/21/13/184192113.db2.gz OJSFKCHPLCAAQY-UHFFFAOYSA-N 1 2 308.223 3.976 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H]1CCc3ccc(F)cc31)C2 ZINC000177714349 333131642 /nfs/dbraw/zinc/13/16/42/333131642.db2.gz OILODOOCQPYWHL-KRWDZBQOSA-N 1 2 313.420 3.728 10 0 DHAELO CC(C)c1nc2c(n1C)CC[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000177714349 333131644 /nfs/dbraw/zinc/13/16/44/333131644.db2.gz OILODOOCQPYWHL-KRWDZBQOSA-N 1 2 313.420 3.728 10 0 DHAELO CC(C)c1nc2c(n1C)CC[N@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000177714349 333131645 /nfs/dbraw/zinc/13/16/45/333131645.db2.gz OILODOOCQPYWHL-KRWDZBQOSA-N 1 2 313.420 3.728 10 0 DHAELO CCn1cc([C@@H](C)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cn1 ZINC000183032285 333182336 /nfs/dbraw/zinc/18/23/36/333182336.db2.gz QTKRLNAESXNTHB-GFCCVEGCSA-N 1 2 315.808 3.915 10 0 DHAELO Cc1nccnc1[C@@H](C)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000188409489 334707712 /nfs/dbraw/zinc/70/77/12/334707712.db2.gz YIAJAZZYXNTYTD-GFCCVEGCSA-N 1 2 313.792 3.797 10 0 DHAELO CC(C)Oc1cncc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000125899492 334820462 /nfs/dbraw/zinc/82/04/62/334820462.db2.gz RLMJTGFEOPDYIP-AWEZNQCLSA-N 1 2 323.400 3.623 10 0 DHAELO Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c2cccc(F)c2[nH+]1 ZINC000301680937 336323097 /nfs/dbraw/zinc/32/30/97/336323097.db2.gz RWVFBQXWYMYELI-VHSSKADRSA-N 1 2 314.404 3.932 10 0 DHAELO Cc1nc2ccccc2nc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000301728418 336325966 /nfs/dbraw/zinc/32/59/66/336325966.db2.gz RBKRHVDAPRNAQP-UHFFFAOYSA-N 1 2 321.359 3.608 10 0 DHAELO Cn1cc(-c2cccc(CNc3cc[nH+]c(C(C)(C)C)n3)c2)cn1 ZINC000301876479 336335621 /nfs/dbraw/zinc/33/56/21/336335621.db2.gz KMILXYFULHNCHO-UHFFFAOYSA-N 1 2 321.428 3.787 10 0 DHAELO Cc1ccc([C@@H]2CN(c3[nH]c4ccccc4[nH+]3)CCO2)c(C)c1 ZINC000301899405 336337073 /nfs/dbraw/zinc/33/70/73/336337073.db2.gz XYTZLSDWARDCJY-SFHVURJKSA-N 1 2 307.397 3.758 10 0 DHAELO Cc1cc(NC[C@](C)(O)c2cccc(Cl)c2)nc(C(C)C)[nH+]1 ZINC000302159878 336351559 /nfs/dbraw/zinc/35/15/59/336351559.db2.gz GTHMKEDWNKGNAA-KRWDZBQOSA-N 1 2 319.836 3.881 10 0 DHAELO Cc1ccc(F)cc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173934760 337137545 /nfs/dbraw/zinc/13/75/45/337137545.db2.gz AJENLMRVMPCZMB-CQSZACIVSA-N 1 2 323.371 3.811 10 0 DHAELO Cc1ccc(C)c(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173922508 337137661 /nfs/dbraw/zinc/13/76/61/337137661.db2.gz IIWJEZPUBGWNOP-MRXNPFEDSA-N 1 2 319.408 3.980 10 0 DHAELO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000175148535 337144734 /nfs/dbraw/zinc/14/47/34/337144734.db2.gz PKJVLCJANNURKQ-GFCCVEGCSA-N 1 2 302.422 3.636 10 0 DHAELO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1nnc2n1CCCC2 ZINC000178077056 337160307 /nfs/dbraw/zinc/16/03/07/337160307.db2.gz OXKBGWWRTZJSPU-KBPBESRZSA-N 1 2 321.428 3.574 10 0 DHAELO C[C@@H]1C[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)CC(C)(C)C1 ZINC000183536006 337192127 /nfs/dbraw/zinc/19/21/27/337192127.db2.gz HVWPIZJYUCIVNY-HUUCEWRRSA-N 1 2 303.450 3.509 10 0 DHAELO C[C@@H]1C[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)CC(C)(C)C1 ZINC000183535511 337192204 /nfs/dbraw/zinc/19/22/04/337192204.db2.gz HVWPIZJYUCIVNY-CABCVRRESA-N 1 2 303.450 3.509 10 0 DHAELO CCn1cc[nH+]c1CSCc1nc(-c2ccccc2F)no1 ZINC000187852047 337268530 /nfs/dbraw/zinc/26/85/30/337268530.db2.gz FMOKTEGZRSWOBJ-UHFFFAOYSA-N 1 2 318.377 3.526 10 0 DHAELO COc1ccnc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)o2)c1OC ZINC000190598959 337288452 /nfs/dbraw/zinc/28/84/52/337288452.db2.gz JGNIBYMWBHIELA-OAHLLOKOSA-N 1 2 316.401 3.727 10 0 DHAELO COc1ccnc(C[N@H+]2CCCC[C@@H]2c2ccc(C)o2)c1OC ZINC000190598959 337288453 /nfs/dbraw/zinc/28/84/53/337288453.db2.gz JGNIBYMWBHIELA-OAHLLOKOSA-N 1 2 316.401 3.727 10 0 DHAELO CC(C)(C)c1ccc(NC(=O)Cc2cccc3[nH+]ccn32)cc1 ZINC000584605037 337371393 /nfs/dbraw/zinc/37/13/93/337371393.db2.gz BAHQPWGVQOUAQL-UHFFFAOYSA-N 1 2 307.397 3.813 10 0 DHAELO Cc1cccn2c(CN3CCCC[C@@H]3c3nccs3)c[nH+]c12 ZINC000127693084 337421959 /nfs/dbraw/zinc/42/19/59/337421959.db2.gz VJVAGPCQODZSMF-OAHLLOKOSA-N 1 2 312.442 3.826 10 0 DHAELO Fc1ccc(Br)c(F)c1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000500984309 340071209 /nfs/dbraw/zinc/07/12/09/340071209.db2.gz NOKUAVVDSTWWSM-QPUJVOFHSA-N 1 2 302.162 3.712 10 0 DHAELO Fc1ccc(Br)c(F)c1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000500984309 340071210 /nfs/dbraw/zinc/07/12/10/340071210.db2.gz NOKUAVVDSTWWSM-QPUJVOFHSA-N 1 2 302.162 3.712 10 0 DHAELO CC(C)CCOCC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000174242548 340384632 /nfs/dbraw/zinc/38/46/32/340384632.db2.gz VDBRBGQEVFNMKC-UHFFFAOYSA-N 1 2 309.454 3.615 10 0 DHAELO CCn1cc[nH+]c1CNc1ccc(Cl)cc1Br ZINC000127779263 340856193 /nfs/dbraw/zinc/85/61/93/340856193.db2.gz AXBVFHZAETZWFR-UHFFFAOYSA-N 1 2 314.614 3.931 10 0 DHAELO C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(F)c(Cl)c1 ZINC000171159314 341772722 /nfs/dbraw/zinc/77/27/22/341772722.db2.gz VRBVWZZAGDQCKG-JTQLQIEISA-N 1 2 317.751 3.618 10 0 DHAELO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000179881473 518445022 /nfs/dbraw/zinc/44/50/22/518445022.db2.gz IHODHOZTJHWUCV-WSYSLRRZSA-N 1 2 300.427 3.620 10 0 DHAELO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000179881473 518445032 /nfs/dbraw/zinc/44/50/32/518445032.db2.gz IHODHOZTJHWUCV-WSYSLRRZSA-N 1 2 300.427 3.620 10 0 DHAELO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000179881454 518445653 /nfs/dbraw/zinc/44/56/53/518445653.db2.gz IHODHOZTJHWUCV-UKYUDJEDSA-N 1 2 300.427 3.620 10 0 DHAELO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000179881454 518445662 /nfs/dbraw/zinc/44/56/62/518445662.db2.gz IHODHOZTJHWUCV-UKYUDJEDSA-N 1 2 300.427 3.620 10 0 DHAELO CC(C)(C)c1csc([C@@H]2C[N@H+](C[C@@H]3CCC=CO3)CCO2)n1 ZINC000193848076 519088279 /nfs/dbraw/zinc/08/82/79/519088279.db2.gz IDDFQBBPCWFXJM-KBPBESRZSA-N 1 2 322.474 3.507 10 0 DHAELO CC(C)(C)c1csc([C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)CCO2)n1 ZINC000193848076 519088287 /nfs/dbraw/zinc/08/82/87/519088287.db2.gz IDDFQBBPCWFXJM-KBPBESRZSA-N 1 2 322.474 3.507 10 0 DHAELO CCCCc1nc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cs1 ZINC000106219905 521293340 /nfs/dbraw/zinc/29/33/40/521293340.db2.gz KLHAYHUVUWVQAE-MRXNPFEDSA-N 1 2 318.490 3.828 10 0 DHAELO CCCCc1nc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cs1 ZINC000106219905 521293348 /nfs/dbraw/zinc/29/33/48/521293348.db2.gz KLHAYHUVUWVQAE-MRXNPFEDSA-N 1 2 318.490 3.828 10 0 DHAELO CCc1nc(C2([NH2+]Cc3ccc(C)c(OC)c3)CCCC2)no1 ZINC000194277461 522244516 /nfs/dbraw/zinc/24/45/16/522244516.db2.gz FEYWGCVDXVXVQA-UHFFFAOYSA-N 1 2 315.417 3.508 10 0 DHAELO CCc1nc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000181400850 522349677 /nfs/dbraw/zinc/34/96/77/522349677.db2.gz CNCBUQPSCAUYPY-ZDUSSCGKSA-N 1 2 303.406 3.518 10 0 DHAELO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000181390420 522748514 /nfs/dbraw/zinc/74/85/14/522748514.db2.gz WAACHZSVNPFNSN-CYBMUJFWSA-N 1 2 303.406 3.518 10 0 DHAELO Clc1ccccc1CCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182330719 526987145 /nfs/dbraw/zinc/98/71/45/526987145.db2.gz UYOYYIZVIAJISO-OAHLLOKOSA-N 1 2 304.825 3.618 10 0 DHAELO Clc1ccccc1CCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182330719 526987150 /nfs/dbraw/zinc/98/71/50/526987150.db2.gz UYOYYIZVIAJISO-OAHLLOKOSA-N 1 2 304.825 3.618 10 0 DHAELO OCCCNc1[nH+]c2ccccc2n1Cc1ccccc1Cl ZINC000026474066 527541908 /nfs/dbraw/zinc/54/19/08/527541908.db2.gz PGDRAMKISCBPDX-UHFFFAOYSA-N 1 2 315.804 3.532 10 0 DHAELO CCNc1c(N)c[nH+]c2c(Br)c(Cl)ccc12 ZINC000584882869 563421608 /nfs/dbraw/zinc/42/16/08/563421608.db2.gz XUQPLXIWYDGHCQ-UHFFFAOYSA-N 1 2 300.587 3.665 10 0 DHAELO COc1ccc(Cl)cc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000049774198 563587610 /nfs/dbraw/zinc/58/76/10/563587610.db2.gz MBHQHJMMEIYWAF-UHFFFAOYSA-N 1 2 301.777 3.515 10 0 DHAELO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccs1 ZINC000226254169 563913437 /nfs/dbraw/zinc/91/34/37/563913437.db2.gz RRKZSPIABXXFME-GFCCVEGCSA-N 1 2 315.442 3.961 10 0 DHAELO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccs1 ZINC000226254169 563913438 /nfs/dbraw/zinc/91/34/38/563913438.db2.gz RRKZSPIABXXFME-GFCCVEGCSA-N 1 2 315.442 3.961 10 0 DHAELO CC(C)c1cc(N2CCC(=O)CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070452105 190895473 /nfs/dbraw/zinc/89/54/73/190895473.db2.gz OLTYSFODWWZCNK-UHFFFAOYSA-N 1 2 313.376 3.575 10 0 DHAELO [NH3+][C@@H]1c2ccsc2N=CN1c1ccccc1Br ZINC000257354364 203068836 /nfs/dbraw/zinc/06/88/36/203068836.db2.gz XHVNEHQGRUMVOZ-NSHDSACASA-N 1 2 308.204 3.648 10 0 DHAELO Cc1cc(C)cc(OCCn2c(CCCO)[nH+]c3ccccc32)c1 ZINC000040225311 183047839 /nfs/dbraw/zinc/04/78/39/183047839.db2.gz WFIKXERIBNCYQV-UHFFFAOYSA-N 1 2 324.424 3.657 10 0 DHAELO COc1ccc(Cl)cc1Nc1nc[nH+]c(NC(C)(C)C)c1N ZINC000040680394 183117019 /nfs/dbraw/zinc/11/70/19/183117019.db2.gz JZWRQZBFJVEWEI-UHFFFAOYSA-N 1 2 321.812 3.675 10 0 DHAELO Cc1c(Cl)cccc1Nc1[nH+]cnc(NC(C)(C)C)c1N ZINC000040680388 183117414 /nfs/dbraw/zinc/11/74/14/183117414.db2.gz DHYJNIPIVIDOFA-UHFFFAOYSA-N 1 2 305.813 3.975 10 0 DHAELO Cc1c(Cl)cccc1Nc1nc[nH+]c(NC(C)(C)C)c1N ZINC000040680388 183117417 /nfs/dbraw/zinc/11/74/17/183117417.db2.gz DHYJNIPIVIDOFA-UHFFFAOYSA-N 1 2 305.813 3.975 10 0 DHAELO Nc1c(Nc2ccc(F)c(F)c2)nc[nH+]c1NC1CCCCC1 ZINC000040708738 183121391 /nfs/dbraw/zinc/12/13/91/183121391.db2.gz ULHFGXSDBMSJQU-UHFFFAOYSA-N 1 2 319.359 3.825 10 0 DHAELO Nc1c(NC2CCCCC2)nc[nH+]c1Nc1ccc(F)c(F)c1 ZINC000040708738 183121392 /nfs/dbraw/zinc/12/13/92/183121392.db2.gz ULHFGXSDBMSJQU-UHFFFAOYSA-N 1 2 319.359 3.825 10 0 DHAELO Nc1c(Nc2cc(Cl)cc(Cl)c2)nc[nH+]c1N1CCCC1 ZINC000040700876 183120070 /nfs/dbraw/zinc/12/00/70/183120070.db2.gz KRUOTZVSKBIXRR-UHFFFAOYSA-N 1 2 324.215 3.709 10 0 DHAELO Nc1c(Nc2cc(Cl)cc(Cl)c2)[nH+]cnc1N1CCCC1 ZINC000040700876 183120073 /nfs/dbraw/zinc/12/00/73/183120073.db2.gz KRUOTZVSKBIXRR-UHFFFAOYSA-N 1 2 324.215 3.709 10 0 DHAELO Cc1cccc(Nc2[nH+]cnc(N3CCCCCC3)c2N)c1C ZINC000040725431 183124738 /nfs/dbraw/zinc/12/47/38/183124738.db2.gz PRUHYBGGOMMFFI-UHFFFAOYSA-N 1 2 311.433 3.800 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)c1c(F)cccc1F)C2 ZINC000106370335 194201671 /nfs/dbraw/zinc/20/16/71/194201671.db2.gz CLZTYSYJWXVYTR-LBPRGKRZSA-N 1 2 319.399 3.941 10 0 DHAELO Cc1ccc(Cc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)c[nH+]1 ZINC000299747723 229391969 /nfs/dbraw/zinc/39/19/69/229391969.db2.gz DVJPOQHGVNMBBK-FUHWJXTLSA-N 1 2 321.380 3.609 10 0 DHAELO Cc1cc(NC[C@@H](O)c2ccccc2Cl)nc(C(C)C)[nH+]1 ZINC000301379248 336303495 /nfs/dbraw/zinc/30/34/95/336303495.db2.gz XPQLWQVGTSSQCP-CQSZACIVSA-N 1 2 305.809 3.707 10 0 DHAELO Fc1ccc2[nH]c(CCNc3ncccc3C(F)(F)F)[nH+]c2c1 ZINC000301715879 336325361 /nfs/dbraw/zinc/32/53/61/336325361.db2.gz JZWRWQWKVBSAIP-UHFFFAOYSA-N 1 2 324.281 3.770 10 0 DHAELO Cc1nc(NCc2cnc(CC(C)C)s2)c2c([nH+]1)CCCC2 ZINC000302113374 336349103 /nfs/dbraw/zinc/34/91/03/336349103.db2.gz VDQAXDRANOMGPE-UHFFFAOYSA-N 1 2 316.474 3.931 10 0 DHAELO Cc1cc(NC[C@@](C)(O)c2ccccc2Cl)nc(C(C)C)[nH+]1 ZINC000302191205 336353226 /nfs/dbraw/zinc/35/32/26/336353226.db2.gz YWVAMPPJVCWIJK-QGZVFWFLSA-N 1 2 319.836 3.881 10 0 DHAELO Cc1cncc(N2CCC[C@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)n1 ZINC000302214016 336354221 /nfs/dbraw/zinc/35/42/21/336354221.db2.gz IDMQFXYKMOSQCH-INIZCTEOSA-N 1 2 319.412 3.559 10 0 DHAELO CC(=O)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000123018850 337034106 /nfs/dbraw/zinc/03/41/06/337034106.db2.gz MKLUPDPVIRSKSJ-MRXNPFEDSA-N 1 2 316.426 3.796 10 0 DHAELO CC(=O)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000123018850 337034107 /nfs/dbraw/zinc/03/41/07/337034107.db2.gz MKLUPDPVIRSKSJ-MRXNPFEDSA-N 1 2 316.426 3.796 10 0 DHAELO C[C@@H]1C[N@H+](Cc2csc(Cc3ccccc3)n2)CCS1 ZINC000171691022 337088675 /nfs/dbraw/zinc/08/86/75/337088675.db2.gz WGBSRMDFPZSYPS-CYBMUJFWSA-N 1 2 304.484 3.671 10 0 DHAELO C[C@@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CCS1 ZINC000171691022 337088676 /nfs/dbraw/zinc/08/86/76/337088676.db2.gz WGBSRMDFPZSYPS-CYBMUJFWSA-N 1 2 304.484 3.671 10 0 DHAELO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000173621580 337136802 /nfs/dbraw/zinc/13/68/02/337136802.db2.gz KMGXMIHIZRSLRL-NHYWBVRUSA-N 1 2 320.387 3.695 10 0 DHAELO Cc1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000173920817 337137605 /nfs/dbraw/zinc/13/76/05/337137605.db2.gz GHTGLRDFKIFOSQ-CQSZACIVSA-N 1 2 323.371 3.811 10 0 DHAELO Cc1cccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173948656 337137904 /nfs/dbraw/zinc/13/79/04/337137904.db2.gz MNRLDPJQOFGWHB-OAHLLOKOSA-N 1 2 305.381 3.672 10 0 DHAELO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000180657070 337177126 /nfs/dbraw/zinc/17/71/26/337177126.db2.gz KDYGNXJUIZHJNJ-DOMZBBRYSA-N 1 2 302.397 3.555 10 0 DHAELO Fc1ccc([C@H](N[C@H]2CCOc3ccccc32)c2[nH]cc[nH+]2)cc1 ZINC000187697722 337269310 /nfs/dbraw/zinc/26/93/10/337269310.db2.gz QRPFHXKZSLOVJL-WMZOPIPTSA-N 1 2 323.371 3.752 10 0 DHAELO Fc1ccc([C@H]([NH2+][C@H]2CCOc3ccccc32)c2ncc[nH]2)cc1 ZINC000187697722 337269311 /nfs/dbraw/zinc/26/93/11/337269311.db2.gz QRPFHXKZSLOVJL-WMZOPIPTSA-N 1 2 323.371 3.752 10 0 DHAELO O[C@@H](Cc1c2[nH]cccc2c2c[nH+]cn21)C1CCC2(CC2)CC1 ZINC000584590449 337369459 /nfs/dbraw/zinc/36/94/59/337369459.db2.gz OEDPOSRKYMLFOV-RDJZCZTQSA-N 1 2 309.413 3.569 10 0 DHAELO O[C@@H](C[C@H]1c2ncccc2-c2c[nH+]cn21)C1CCC2(CC2)CC1 ZINC000584590449 337369460 /nfs/dbraw/zinc/36/94/60/337369460.db2.gz OEDPOSRKYMLFOV-RDJZCZTQSA-N 1 2 309.413 3.569 10 0 DHAELO c1coc([C@H]2CCC[N@H+]2Cc2noc(-c3ccsc3)n2)c1 ZINC000116404399 337392686 /nfs/dbraw/zinc/39/26/86/337392686.db2.gz MLIQCEWXPPMHGX-GFCCVEGCSA-N 1 2 301.371 3.728 10 0 DHAELO c1coc([C@H]2CCC[N@@H+]2Cc2noc(-c3ccsc3)n2)c1 ZINC000116404399 337392687 /nfs/dbraw/zinc/39/26/87/337392687.db2.gz MLIQCEWXPPMHGX-GFCCVEGCSA-N 1 2 301.371 3.728 10 0 DHAELO CCn1cc[nH+]c1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000195513810 337468064 /nfs/dbraw/zinc/46/80/64/337468064.db2.gz LOIKJPRMRZAMIN-CQSZACIVSA-N 1 2 312.442 3.850 10 0 DHAELO Cc1cccc(C)c1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000072534666 337547899 /nfs/dbraw/zinc/54/78/99/337547899.db2.gz IJVPAZMTMXSBDC-MRXNPFEDSA-N 1 2 319.408 3.980 10 0 DHAELO CC(C)C[C@@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000080534522 337678437 /nfs/dbraw/zinc/67/84/37/337678437.db2.gz JXJIRMYZDNODIO-DLBZAZTESA-N 1 2 311.429 3.664 10 0 DHAELO C[C@H]([NH2+]Cc1cnns1)c1c(Cl)ccc(F)c1Cl ZINC000400233503 340139503 /nfs/dbraw/zinc/13/95/03/340139503.db2.gz PKNYQMKSFDUOKQ-LURJTMIESA-N 1 2 306.193 3.835 10 0 DHAELO C[C@H]1C[N@H+](Cc2ccc(F)cc2Br)CCS1 ZINC000134342853 341213613 /nfs/dbraw/zinc/21/36/13/341213613.db2.gz KYXOUANNSYIGFD-VIFPVBQESA-N 1 2 304.228 3.526 10 0 DHAELO C[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)CCS1 ZINC000134342853 341213614 /nfs/dbraw/zinc/21/36/14/341213614.db2.gz KYXOUANNSYIGFD-VIFPVBQESA-N 1 2 304.228 3.526 10 0 DHAELO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000179845248 518444897 /nfs/dbraw/zinc/44/48/97/518444897.db2.gz KMNKUDYESWWJLQ-SHRNQRGKSA-N 1 2 314.454 3.928 10 0 DHAELO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000179845248 518444905 /nfs/dbraw/zinc/44/49/05/518444905.db2.gz KMNKUDYESWWJLQ-SHRNQRGKSA-N 1 2 314.454 3.928 10 0 DHAELO CC[C@H](C)CN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174209009 523862807 /nfs/dbraw/zinc/86/28/07/523862807.db2.gz DHOSKONHHYJXBL-GJZGRUSLSA-N 1 2 314.433 3.621 10 0 DHAELO Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2nnc(C(C)C)n2C)o1 ZINC000158625435 525798179 /nfs/dbraw/zinc/79/81/79/525798179.db2.gz ZDWXLBKDIXLMRX-HNNXBMFYSA-N 1 2 316.449 3.957 10 0 DHAELO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nnc(C(C)C)n2C)o1 ZINC000158625435 525798184 /nfs/dbraw/zinc/79/81/84/525798184.db2.gz ZDWXLBKDIXLMRX-HNNXBMFYSA-N 1 2 316.449 3.957 10 0 DHAELO Cc1csc([C@@H]2C[N@H+](C/C=C/c3ccccc3)CCO2)n1 ZINC000157776428 526423565 /nfs/dbraw/zinc/42/35/65/526423565.db2.gz WHHUOSFVFWRJSA-WHWKNOJMSA-N 1 2 300.427 3.538 10 0 DHAELO Cc1csc([C@@H]2C[N@@H+](C/C=C/c3ccccc3)CCO2)n1 ZINC000157776428 526423568 /nfs/dbraw/zinc/42/35/68/526423568.db2.gz WHHUOSFVFWRJSA-WHWKNOJMSA-N 1 2 300.427 3.538 10 0 DHAELO Cc1nc2n(n1)CCC[C@H]2[NH2+]C(c1ccccc1)c1ccccc1 ZINC000180933175 527190853 /nfs/dbraw/zinc/19/08/53/527190853.db2.gz HOLPKWFXVGJGMF-GOSISDBHSA-N 1 2 318.424 3.801 10 0 DHAELO CCc1cc(Nc2ccc(Cl)c(C[S@](C)=O)c2)nc(C)[nH+]1 ZINC000272834657 536153946 /nfs/dbraw/zinc/15/39/46/536153946.db2.gz HJWDWRLMAHENEK-NRFANRHFSA-N 1 2 323.849 3.623 10 0 DHAELO CCC(=O)NCCCCCc1[nH+]c2ccccc2n1CC(C)C ZINC000040211063 183045357 /nfs/dbraw/zinc/04/53/57/183045357.db2.gz KDBSAMACIFGFAH-UHFFFAOYSA-N 1 2 315.461 3.931 10 0 DHAELO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000040295932 183052508 /nfs/dbraw/zinc/05/25/08/183052508.db2.gz JCACJBVTEDMKNA-UHFFFAOYSA-N 1 2 305.381 3.861 10 0 DHAELO COc1cccc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040295654 183052612 /nfs/dbraw/zinc/05/26/12/183052612.db2.gz WRIRQIUINNQKTJ-UHFFFAOYSA-N 1 2 323.396 3.807 10 0 DHAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1ccccc1F ZINC000040295536 183052900 /nfs/dbraw/zinc/05/29/00/183052900.db2.gz NNFUSQUWRQKJGP-UHFFFAOYSA-N 1 2 311.360 3.739 10 0 DHAELO CC(C)CCNc1[nH+]cnc(Nc2cccc(Cl)c2)c1N ZINC000040781824 183133202 /nfs/dbraw/zinc/13/32/02/183133202.db2.gz AJDDXKYCDNMKFQ-UHFFFAOYSA-N 1 2 305.813 3.914 10 0 DHAELO CC(C)CCNc1nc[nH+]c(Nc2cccc(Cl)c2)c1N ZINC000040781824 183133203 /nfs/dbraw/zinc/13/32/03/183133203.db2.gz AJDDXKYCDNMKFQ-UHFFFAOYSA-N 1 2 305.813 3.914 10 0 DHAELO CC(C)CCNc1[nH+]cnc(Nc2ccccc2Cl)c1N ZINC000040781335 183133290 /nfs/dbraw/zinc/13/32/90/183133290.db2.gz FCXSUMIUDNHBAA-UHFFFAOYSA-N 1 2 305.813 3.914 10 0 DHAELO Nc1c(Nc2cccc(Cl)c2)[nH+]cnc1N1CCCCCC1 ZINC000040725513 183124503 /nfs/dbraw/zinc/12/45/03/183124503.db2.gz ZBCKMXWCTXESEX-UHFFFAOYSA-N 1 2 317.824 3.836 10 0 DHAELO Nc1c(Nc2cccc(Cl)c2)nc[nH+]c1N1CCCCCC1 ZINC000040725513 183124505 /nfs/dbraw/zinc/12/45/05/183124505.db2.gz ZBCKMXWCTXESEX-UHFFFAOYSA-N 1 2 317.824 3.836 10 0 DHAELO CN(c1ccccc1)c1nc[nH+]c(NC2CCCCCC2)c1N ZINC000040757914 183129550 /nfs/dbraw/zinc/12/95/50/183129550.db2.gz UEMDCOIEKNUSMT-UHFFFAOYSA-N 1 2 311.433 3.961 10 0 DHAELO CN(c1ccccc1)c1[nH+]cnc(NC2CCCCCC2)c1N ZINC000040757914 183129553 /nfs/dbraw/zinc/12/95/53/183129553.db2.gz UEMDCOIEKNUSMT-UHFFFAOYSA-N 1 2 311.433 3.961 10 0 DHAELO CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000301519206 336312018 /nfs/dbraw/zinc/31/20/18/336312018.db2.gz CQRTVSCUNWICNM-GXZWQRSESA-N 1 2 302.443 3.727 10 0 DHAELO C[C@H](Nc1ccc2ccccc2[nH+]1)c1cn(-c2ccccc2)nn1 ZINC000301677628 336322891 /nfs/dbraw/zinc/32/28/91/336322891.db2.gz TVIPOLBIOGWCAK-AWEZNQCLSA-N 1 2 315.380 3.989 10 0 DHAELO Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2cccc(F)c2[nH+]1 ZINC000301680935 336323169 /nfs/dbraw/zinc/32/31/69/336323169.db2.gz RWVFBQXWYMYELI-MORSLUCNSA-N 1 2 314.404 3.932 10 0 DHAELO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(CC)cc2)n1 ZINC000120363625 336909089 /nfs/dbraw/zinc/90/90/89/336909089.db2.gz BBOXSFGRZGSUKU-CHWSQXEVSA-N 1 2 303.406 3.580 10 0 DHAELO Cc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1Cl ZINC000193861131 337079655 /nfs/dbraw/zinc/07/96/55/337079655.db2.gz RHGWGMHWKBNENO-CQSZACIVSA-N 1 2 308.834 3.678 10 0 DHAELO Cc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1Cl ZINC000193861131 337079656 /nfs/dbraw/zinc/07/96/56/337079656.db2.gz RHGWGMHWKBNENO-CQSZACIVSA-N 1 2 308.834 3.678 10 0 DHAELO C[C@H]1C[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CCS1 ZINC000170901316 337085373 /nfs/dbraw/zinc/08/53/73/337085373.db2.gz PXXKEEFWDYMTQB-JTQLQIEISA-N 1 2 310.369 3.557 10 0 DHAELO C[C@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CCS1 ZINC000170901316 337085374 /nfs/dbraw/zinc/08/53/74/337085374.db2.gz PXXKEEFWDYMTQB-JTQLQIEISA-N 1 2 310.369 3.557 10 0 DHAELO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1cccs1 ZINC000171111439 337086780 /nfs/dbraw/zinc/08/67/80/337086780.db2.gz VFNLTNWJAYAFAT-SNVBAGLBSA-N 1 2 303.362 3.788 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1nnc2n1CCCC2 ZINC000173627587 337137032 /nfs/dbraw/zinc/13/70/32/337137032.db2.gz HKCFKYBAQIVAFM-WDEREUQCSA-N 1 2 322.815 3.819 10 0 DHAELO Cc1ccccc1CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173911287 337137420 /nfs/dbraw/zinc/13/74/20/337137420.db2.gz LXHAGARINNVIES-INIZCTEOSA-N 1 2 319.408 3.601 10 0 DHAELO Cc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c(C)[nH+]1 ZINC000176707299 337151767 /nfs/dbraw/zinc/15/17/67/337151767.db2.gz MVIHSKSWHQQEJQ-ZDUSSCGKSA-N 1 2 316.430 3.566 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(Br)ccc2F)o1 ZINC000220905997 337167099 /nfs/dbraw/zinc/16/70/99/337167099.db2.gz DLXDOMGFOHQSMU-SECBINFHSA-N 1 2 313.170 3.735 10 0 DHAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3ncc(C(C)C)s3)C2)c1 ZINC000183060990 337191242 /nfs/dbraw/zinc/19/12/42/337191242.db2.gz KJQCSIHXUGILGP-AWEZNQCLSA-N 1 2 304.463 3.609 10 0 DHAELO Cc1cnn([C@H]2CCC[N@H+](Cc3ncc(C(C)C)s3)C2)c1 ZINC000183060990 337191243 /nfs/dbraw/zinc/19/12/43/337191243.db2.gz KJQCSIHXUGILGP-AWEZNQCLSA-N 1 2 304.463 3.609 10 0 DHAELO CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186563346 337257606 /nfs/dbraw/zinc/25/76/06/337257606.db2.gz FWNBQWVILNBECV-FNHZYXHNSA-N 1 2 311.429 3.732 10 0 DHAELO CCc1nc([C@@H]2C[N@H+](CC[C@@H](C)CCC=C(C)C)CCO2)n[nH]1 ZINC000193232975 337309585 /nfs/dbraw/zinc/30/95/85/337309585.db2.gz NYHSRKAWHKOTNO-HOTGVXAUSA-N 1 2 320.481 3.513 10 0 DHAELO CCc1nc([C@@H]2C[N@@H+](CC[C@@H](C)CCC=C(C)C)CCO2)n[nH]1 ZINC000193232975 337309586 /nfs/dbraw/zinc/30/95/86/337309586.db2.gz NYHSRKAWHKOTNO-HOTGVXAUSA-N 1 2 320.481 3.513 10 0 DHAELO COc1ccc([C@@H](O)c2[nH+]c(C)cc3cc(OC)ccc32)cc1 ZINC000584619969 337371571 /nfs/dbraw/zinc/37/15/71/337371571.db2.gz QVTYLTIRYJADQU-LJQANCHMSA-N 1 2 309.365 3.642 10 0 DHAELO COc1ccc([NH2+][C@H]2CCCC[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000584606285 337371706 /nfs/dbraw/zinc/37/17/06/337371706.db2.gz RNRFPCCSPSLMPE-ROUUACIJSA-N 1 2 316.445 3.678 10 0 DHAELO CCOC(=O)C(=O)CCCCc1ccc([NH+]2CCCCC2)cc1 ZINC000584661271 337378347 /nfs/dbraw/zinc/37/83/47/337378347.db2.gz RMRBNNXHTUILEM-UHFFFAOYSA-N 1 2 317.429 3.522 10 0 DHAELO c1coc(-c2noc(C[N@H+]3CC=C(c4ccccc4)CC3)n2)c1 ZINC000030635077 337390271 /nfs/dbraw/zinc/39/02/71/337390271.db2.gz HLRANEUVRMVHDL-UHFFFAOYSA-N 1 2 307.353 3.619 10 0 DHAELO c1coc(-c2noc(C[N@@H+]3CC=C(c4ccccc4)CC3)n2)c1 ZINC000030635077 337390272 /nfs/dbraw/zinc/39/02/72/337390272.db2.gz HLRANEUVRMVHDL-UHFFFAOYSA-N 1 2 307.353 3.619 10 0 DHAELO Cc1csc([C@@H]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)n1 ZINC000116260477 337392473 /nfs/dbraw/zinc/39/24/73/337392473.db2.gz MYDKYAYVXKOBRN-CQSZACIVSA-N 1 2 314.458 3.811 10 0 DHAELO CC(C)n1cc[nH+]c1CNc1ccc(Br)cc1F ZINC000123764316 337401102 /nfs/dbraw/zinc/40/11/02/337401102.db2.gz ZOGXFXJFPZNNNZ-UHFFFAOYSA-N 1 2 312.186 3.978 10 0 DHAELO CCc1ccccc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000154072264 338236627 /nfs/dbraw/zinc/23/66/27/338236627.db2.gz XGYLVSBUTRVWAC-HNNXBMFYSA-N 1 2 319.408 3.926 10 0 DHAELO C[C@@H]([NH2+]Cc1cnns1)c1c(Cl)ccc(F)c1Cl ZINC000400233506 340139505 /nfs/dbraw/zinc/13/95/05/340139505.db2.gz PKNYQMKSFDUOKQ-ZCFIWIBFSA-N 1 2 306.193 3.835 10 0 DHAELO Cc1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)o1 ZINC000190334826 340544295 /nfs/dbraw/zinc/54/42/95/340544295.db2.gz YTQVQQIKICCVOH-LBPRGKRZSA-N 1 2 317.339 3.903 10 0 DHAELO C[C@@H]1C[C@H]([NH2+]c2ccc(NS(C)(=O)=O)cc2)CC(C)(C)C1 ZINC000037077028 340746623 /nfs/dbraw/zinc/74/66/23/340746623.db2.gz IUYXINSPBYFYDT-DOMZBBRYSA-N 1 2 310.463 3.685 10 0 DHAELO Fc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)ccc1OC(F)F ZINC000245542546 341300933 /nfs/dbraw/zinc/30/09/33/341300933.db2.gz PZESPBWGPVAOQI-UKRRQHHQSA-N 1 2 315.335 3.571 10 0 DHAELO Fc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)ccc1OC(F)F ZINC000245542546 341300934 /nfs/dbraw/zinc/30/09/34/341300934.db2.gz PZESPBWGPVAOQI-UKRRQHHQSA-N 1 2 315.335 3.571 10 0 DHAELO C[C@@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247274914 341363058 /nfs/dbraw/zinc/36/30/58/341363058.db2.gz DQJPFXBLSFWMAO-OAGGEKHMSA-N 1 2 311.429 3.876 10 0 DHAELO CC(C)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000158697095 341662697 /nfs/dbraw/zinc/66/26/97/341662697.db2.gz IMIGJULOUNLVGU-CABCVRRESA-N 1 2 314.433 3.667 10 0 DHAELO CCC[C@@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccc(F)cc1F ZINC000181677210 520786015 /nfs/dbraw/zinc/78/60/15/520786015.db2.gz IVZBVGNKWNEDSL-OAHLLOKOSA-N 1 2 322.403 3.848 10 0 DHAELO CCCn1c(C)nnc1C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000159298576 521622523 /nfs/dbraw/zinc/62/25/23/521622523.db2.gz PBSINRBEEBMUTL-OAHLLOKOSA-N 1 2 302.422 3.625 10 0 DHAELO CCCn1c(C)nnc1C[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000159298576 521622525 /nfs/dbraw/zinc/62/25/25/521622525.db2.gz PBSINRBEEBMUTL-OAHLLOKOSA-N 1 2 302.422 3.625 10 0 DHAELO COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)s1 ZINC000163326902 522007513 /nfs/dbraw/zinc/00/75/13/522007513.db2.gz KWUVSAIKEQBQAR-GFCCVEGCSA-N 1 2 322.455 3.718 10 0 DHAELO COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)s1 ZINC000163326902 522007517 /nfs/dbraw/zinc/00/75/17/522007517.db2.gz KWUVSAIKEQBQAR-GFCCVEGCSA-N 1 2 322.455 3.718 10 0 DHAELO COCc1ccc(C[N@@H+]2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000127797826 522972871 /nfs/dbraw/zinc/97/28/71/522972871.db2.gz ABNWVZAJBNFWFN-INIZCTEOSA-N 1 2 315.417 3.677 10 0 DHAELO COCc1ccc(C[N@H+]2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000127797826 522972885 /nfs/dbraw/zinc/97/28/85/522972885.db2.gz ABNWVZAJBNFWFN-INIZCTEOSA-N 1 2 315.417 3.677 10 0 DHAELO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC000237221317 523293422 /nfs/dbraw/zinc/29/34/22/523293422.db2.gz QGIBUXFXBSWIMG-LLVKDONJSA-N 1 2 300.431 3.672 10 0 DHAELO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000182608169 523922296 /nfs/dbraw/zinc/92/22/96/523922296.db2.gz BVKMVYQCIKBPIF-CHWSQXEVSA-N 1 2 317.433 3.925 10 0 DHAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(Cl)c1Cl ZINC000164656888 525616863 /nfs/dbraw/zinc/61/68/63/525616863.db2.gz DDMDGRKBVPPRFK-CABZTGNLSA-N 1 2 311.216 3.771 10 0 DHAELO C[C@@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1cccc(O)c1 ZINC000246135839 525700024 /nfs/dbraw/zinc/70/00/24/525700024.db2.gz JXNVKNYSUYEEKP-ZIAGYGMSSA-N 1 2 312.417 3.592 10 0 DHAELO C[C@@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1cccc(O)c1 ZINC000246135839 525700036 /nfs/dbraw/zinc/70/00/36/525700036.db2.gz JXNVKNYSUYEEKP-ZIAGYGMSSA-N 1 2 312.417 3.592 10 0 DHAELO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000131429531 526397071 /nfs/dbraw/zinc/39/70/71/526397071.db2.gz BFFVCVJSGDDYFW-CHWSQXEVSA-N 1 2 303.406 3.825 10 0 DHAELO CNC1=[NH+]c2ccc(Cl)cc2C(c2ccccc2F)=NC1 ZINC000005525957 563329966 /nfs/dbraw/zinc/32/99/66/563329966.db2.gz HXBIKXSRZGPORM-UHFFFAOYSA-N 1 2 301.752 3.580 10 0 in-vitro DHAELO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)cs1 ZINC000076726215 185036308 /nfs/dbraw/zinc/03/63/08/185036308.db2.gz BSYRUGCZJSZXAN-INIZCTEOSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)OCC2(C)C)cs1 ZINC000076726215 185036311 /nfs/dbraw/zinc/03/63/11/185036311.db2.gz BSYRUGCZJSZXAN-INIZCTEOSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)s1 ZINC000092811931 185343426 /nfs/dbraw/zinc/34/34/26/185343426.db2.gz HWXUDFPLSZOTMD-OAHLLOKOSA-N 1 2 316.474 3.712 10 0 DHAELO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)s1 ZINC000092811931 185343427 /nfs/dbraw/zinc/34/34/27/185343427.db2.gz HWXUDFPLSZOTMD-OAHLLOKOSA-N 1 2 316.474 3.712 10 0 DHAELO C[C@H](NC(=O)NC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634583 192175290 /nfs/dbraw/zinc/17/52/90/192175290.db2.gz ZEGGSPQMJDKBMU-AWEZNQCLSA-N 1 2 312.417 3.565 10 0 DHAELO [NH3+][C@@H]1c2ccsc2N=CN1c1cccc(Br)c1 ZINC000257351036 203069312 /nfs/dbraw/zinc/06/93/12/203069312.db2.gz BTNTUUZARXLUEV-NSHDSACASA-N 1 2 308.204 3.648 10 0 DHAELO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)Nc1cccc(Cl)c1 ZINC000016591510 182051223 /nfs/dbraw/zinc/05/12/23/182051223.db2.gz ZVVRFIHDKRQAJN-JTQLQIEISA-N 1 2 320.742 3.553 10 0 DHAELO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)Nc1cccc(Cl)c1 ZINC000016591510 182051224 /nfs/dbraw/zinc/05/12/24/182051224.db2.gz ZVVRFIHDKRQAJN-JTQLQIEISA-N 1 2 320.742 3.553 10 0 DHAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)Nc1ccc(F)cc1 ZINC000040295934 183052542 /nfs/dbraw/zinc/05/25/42/183052542.db2.gz YAFJEMSWFCMPAT-UHFFFAOYSA-N 1 2 309.344 3.692 10 0 DHAELO CCCCNc1[nH+]cnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040706511 183121327 /nfs/dbraw/zinc/12/13/27/183121327.db2.gz BLQOSGCDEVRQDZ-UHFFFAOYSA-N 1 2 322.416 3.871 10 0 DHAELO CCCNc1nc[nH+]c(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040707922 183121030 /nfs/dbraw/zinc/12/10/30/183121030.db2.gz IJXACIFFOPZUMF-UHFFFAOYSA-N 1 2 311.311 3.643 10 0 DHAELO CCCNc1[nH+]cnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040707922 183121031 /nfs/dbraw/zinc/12/10/31/183121031.db2.gz IJXACIFFOPZUMF-UHFFFAOYSA-N 1 2 311.311 3.643 10 0 DHAELO Cc1ccc(Nc2[nH+]cnc(N3CCCCCC3)c2N)c(C)c1 ZINC000040725433 183124385 /nfs/dbraw/zinc/12/43/85/183124385.db2.gz HKYWMHAXPKVADF-UHFFFAOYSA-N 1 2 311.433 3.800 10 0 DHAELO Nc1c(Nc2ccccc2Cl)nc[nH+]c1NCc1ccco1 ZINC000040761271 183130630 /nfs/dbraw/zinc/13/06/30/183130630.db2.gz MGYCSLNGRXURFT-UHFFFAOYSA-N 1 2 315.764 3.661 10 0 DHAELO CCCO[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061630883 184179930 /nfs/dbraw/zinc/17/99/30/184179930.db2.gz SHYLJNJLPCQFJD-NSHDSACASA-N 1 2 303.233 3.779 10 0 DHAELO CCCO[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061630883 184179931 /nfs/dbraw/zinc/17/99/31/184179931.db2.gz SHYLJNJLPCQFJD-NSHDSACASA-N 1 2 303.233 3.779 10 0 DHAELO CCS(=O)(=O)Nc1ccc([NH2+]CC2CCC(C)CC2)cc1 ZINC000089576693 331820979 /nfs/dbraw/zinc/82/09/79/331820979.db2.gz YWCOVHNRBNFAJW-UHFFFAOYSA-N 1 2 310.463 3.686 10 0 DHAELO CCn1cc[nH+]c1CSCc1ccn(-c2ccccc2F)n1 ZINC000187506704 334264569 /nfs/dbraw/zinc/26/45/69/334264569.db2.gz WLLVAZPTPKVHEA-UHFFFAOYSA-N 1 2 316.405 3.661 10 0 DHAELO C[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCS1 ZINC000301192286 336294131 /nfs/dbraw/zinc/29/41/31/336294131.db2.gz MBBCUUPLDSIECO-JTQLQIEISA-N 1 2 323.259 3.939 10 0 DHAELO CCn1c2ccccc2[nH+]c1CCNc1ccnc(Cl)c1 ZINC000301618956 336318627 /nfs/dbraw/zinc/31/86/27/336318627.db2.gz LOOQCOPRJKBJOP-UHFFFAOYSA-N 1 2 300.793 3.759 10 0 DHAELO O[C@@H](C[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000301897978 336337029 /nfs/dbraw/zinc/33/70/29/336337029.db2.gz WIIYGFPDYDVQJK-QAPCUYQASA-N 1 2 307.397 3.655 10 0 DHAELO CCOCC1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302670364 336364294 /nfs/dbraw/zinc/36/42/94/336364294.db2.gz RJTGHUQADJUFGT-UHFFFAOYSA-N 1 2 314.429 3.805 10 0 DHAELO Cc1cc(N[C@@H]2CCc3cc(Br)ccc32)nc[nH+]1 ZINC000110270153 336396221 /nfs/dbraw/zinc/39/62/21/336396221.db2.gz ARCRGULUGUBNOW-CYBMUJFWSA-N 1 2 304.191 3.647 10 0 DHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000122814751 337026526 /nfs/dbraw/zinc/02/65/26/337026526.db2.gz IMKMEMJCTQOOQQ-INIZCTEOSA-N 1 2 323.362 3.791 10 0 DHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000122814751 337026527 /nfs/dbraw/zinc/02/65/27/337026527.db2.gz IMKMEMJCTQOOQQ-INIZCTEOSA-N 1 2 323.362 3.791 10 0 DHAELO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000173621622 337136821 /nfs/dbraw/zinc/13/68/21/337136821.db2.gz KMGXMIHIZRSLRL-IAQYHMDHSA-N 1 2 320.387 3.695 10 0 DHAELO C[C@H](NC(=O)c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173922377 337137599 /nfs/dbraw/zinc/13/75/99/337137599.db2.gz CGAWTDGQJSIRRS-ZDUSSCGKSA-N 1 2 309.344 3.502 10 0 DHAELO Cc1ccc(F)c(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173926137 337137657 /nfs/dbraw/zinc/13/76/57/337137657.db2.gz YKRAQTMOZPUAQH-CQSZACIVSA-N 1 2 323.371 3.811 10 0 DHAELO Cc1ccsc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173943247 337137734 /nfs/dbraw/zinc/13/77/34/337137734.db2.gz IXDBFHZEEWJARP-ZDUSSCGKSA-N 1 2 311.410 3.733 10 0 DHAELO Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000173943310 337137790 /nfs/dbraw/zinc/13/77/90/337137790.db2.gz AJLKAMXCOYEXIS-OAHLLOKOSA-N 1 2 305.381 3.672 10 0 DHAELO C[C@@H](NC(=O)c1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173948453 337137926 /nfs/dbraw/zinc/13/79/26/337137926.db2.gz BGQNDXFMGAAQNJ-CYBMUJFWSA-N 1 2 309.344 3.502 10 0 DHAELO COc1cccc([C@H](C)[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000175617989 337148543 /nfs/dbraw/zinc/14/85/43/337148543.db2.gz HHJYEMGLIYLJDJ-XJKSGUPXSA-N 1 2 318.442 3.595 10 0 DHAELO COc1cccc([C@H](C)[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000175617989 337148544 /nfs/dbraw/zinc/14/85/44/337148544.db2.gz HHJYEMGLIYLJDJ-XJKSGUPXSA-N 1 2 318.442 3.595 10 0 DHAELO Cc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)[nH+]1 ZINC000176707312 337151775 /nfs/dbraw/zinc/15/17/75/337151775.db2.gz MVIHSKSWHQQEJQ-CYBMUJFWSA-N 1 2 316.430 3.566 10 0 DHAELO Cc1cc2ccccc2[nH+]c1N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000177912734 337159082 /nfs/dbraw/zinc/15/90/82/337159082.db2.gz BTODQWDTEFSSBI-HNNXBMFYSA-N 1 2 321.428 3.685 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Br)s2)o1 ZINC000220903724 337167079 /nfs/dbraw/zinc/16/70/79/337167079.db2.gz LGNSEPBZXAYHES-QMMMGPOBSA-N 1 2 301.209 3.658 10 0 DHAELO CCc1ccc(C2=CC[N@H+](Cc3nnc(C(C)C)n3C)CC2)cc1 ZINC000180913659 337178495 /nfs/dbraw/zinc/17/84/95/337178495.db2.gz GQIHFPOZPMYQDA-UHFFFAOYSA-N 1 2 324.472 3.790 10 0 DHAELO CCc1ccc(C2=CC[N@@H+](Cc3nnc(C(C)C)n3C)CC2)cc1 ZINC000180913659 337178496 /nfs/dbraw/zinc/17/84/96/337178496.db2.gz GQIHFPOZPMYQDA-UHFFFAOYSA-N 1 2 324.472 3.790 10 0 DHAELO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000183570501 337192359 /nfs/dbraw/zinc/19/23/59/337192359.db2.gz IOIMGUUATDJXJP-WDEREUQCSA-N 1 2 320.380 3.614 10 0 DHAELO Cc1nc(C(F)(F)F)c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000183570501 337192360 /nfs/dbraw/zinc/19/23/60/337192360.db2.gz IOIMGUUATDJXJP-WDEREUQCSA-N 1 2 320.380 3.614 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)C2 ZINC000183776126 337193421 /nfs/dbraw/zinc/19/34/21/337193421.db2.gz UYTWDDYMNZQEQA-ZIAGYGMSSA-N 1 2 317.477 3.501 10 0 DHAELO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nnc(C(C)C)n1C ZINC000183582513 337193598 /nfs/dbraw/zinc/19/35/98/337193598.db2.gz QYSFLVPEZJYANW-CYBMUJFWSA-N 1 2 312.417 3.844 10 0 DHAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183989884 337194291 /nfs/dbraw/zinc/19/42/91/337194291.db2.gz YPRSKZDSDUBQJE-GJZGRUSLSA-N 1 2 305.466 3.618 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000184660852 337199681 /nfs/dbraw/zinc/19/96/81/337199681.db2.gz VNWNFSXODNFWMO-WDEREUQCSA-N 1 2 322.815 3.819 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC000248603463 337566032 /nfs/dbraw/zinc/56/60/32/337566032.db2.gz UYTWDDYMNZQEQA-FICVDOATSA-N 1 2 317.477 3.501 10 0 DHAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccccc1Cl ZINC000088559538 337862477 /nfs/dbraw/zinc/86/24/77/337862477.db2.gz ANVIGCKMODUYOX-SMDDNHRTSA-N 1 2 304.825 3.680 10 0 DHAELO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(Cl)s2)n1 ZINC000130331940 341017227 /nfs/dbraw/zinc/01/72/27/341017227.db2.gz KUHLHBNDDLNOAT-RKDXNWHRSA-N 1 2 315.826 3.733 10 0 DHAELO C[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)CCS1 ZINC000134342832 341213666 /nfs/dbraw/zinc/21/36/66/341213666.db2.gz KYXOUANNSYIGFD-SECBINFHSA-N 1 2 304.228 3.526 10 0 DHAELO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)CCS1 ZINC000134342832 341213667 /nfs/dbraw/zinc/21/36/67/341213667.db2.gz KYXOUANNSYIGFD-SECBINFHSA-N 1 2 304.228 3.526 10 0 DHAELO C[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CCS1 ZINC000135648235 341243287 /nfs/dbraw/zinc/24/32/87/341243287.db2.gz KHFDALACHSQXSZ-SECBINFHSA-N 1 2 304.228 3.526 10 0 DHAELO C[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CCS1 ZINC000135648235 341243288 /nfs/dbraw/zinc/24/32/88/341243288.db2.gz KHFDALACHSQXSZ-SECBINFHSA-N 1 2 304.228 3.526 10 0 DHAELO C[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CCS1 ZINC000135648263 341243337 /nfs/dbraw/zinc/24/33/37/341243337.db2.gz KHFDALACHSQXSZ-VIFPVBQESA-N 1 2 304.228 3.526 10 0 DHAELO C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CCS1 ZINC000135648263 341243338 /nfs/dbraw/zinc/24/33/38/341243338.db2.gz KHFDALACHSQXSZ-VIFPVBQESA-N 1 2 304.228 3.526 10 0 DHAELO CC(C)CNC(=O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000135716143 341244703 /nfs/dbraw/zinc/24/47/03/341244703.db2.gz IUPRBOSUUXLHHV-VIFPVBQESA-N 1 2 321.223 3.555 10 0 DHAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000248500346 341378861 /nfs/dbraw/zinc/37/88/61/341378861.db2.gz SOHKILYSGFWELB-RDBSUJKOSA-N 1 2 322.474 3.573 10 0 DHAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(C(C)C)s1 ZINC000248500346 341378862 /nfs/dbraw/zinc/37/88/62/341378862.db2.gz SOHKILYSGFWELB-RDBSUJKOSA-N 1 2 322.474 3.573 10 0 DHAELO CCCc1noc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000181390214 521584989 /nfs/dbraw/zinc/58/49/89/521584989.db2.gz HFTHGFLHKMOEIO-AWEZNQCLSA-N 1 2 317.433 3.908 10 0 DHAELO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181730850 522747151 /nfs/dbraw/zinc/74/71/51/522747151.db2.gz VSGDYVYFJYAFAQ-CQSZACIVSA-N 1 2 317.433 3.908 10 0 DHAELO CCn1c(C)nnc1C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000180259462 523152581 /nfs/dbraw/zinc/15/25/81/523152581.db2.gz MQCBZDRIKZEZCT-MRXNPFEDSA-N 1 2 324.831 3.886 10 0 DHAELO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000183008532 523270134 /nfs/dbraw/zinc/27/01/34/523270134.db2.gz LHAPERQULMRIJO-QWHCGFSZSA-N 1 2 303.406 3.751 10 0 DHAELO COc1cccc(OCCSCc2[nH+]ccn2C(C)C)c1 ZINC000155658701 526234729 /nfs/dbraw/zinc/23/47/29/526234729.db2.gz CADBOLGSGQVCBS-UHFFFAOYSA-N 1 2 306.431 3.785 10 0 DHAELO OCCCNc1[nH+]c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000026474071 527541175 /nfs/dbraw/zinc/54/11/75/527541175.db2.gz WWSQKWNBSNLONO-UHFFFAOYSA-N 1 2 315.804 3.532 10 0 DHAELO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccs1 ZINC000226254180 563913487 /nfs/dbraw/zinc/91/34/87/563913487.db2.gz RRKZSPIABXXFME-LBPRGKRZSA-N 1 2 315.442 3.961 10 0 DHAELO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccs1 ZINC000226254180 563913489 /nfs/dbraw/zinc/91/34/89/563913489.db2.gz RRKZSPIABXXFME-LBPRGKRZSA-N 1 2 315.442 3.961 10 0 DHAELO Cc1[nH+]c2ccc(C)cc2n1C1CCN(C(=O)CC(C)C)CC1 ZINC000034915235 563961176 /nfs/dbraw/zinc/96/11/76/563961176.db2.gz ZNGVEOXEYCSSTH-UHFFFAOYSA-N 1 2 313.445 3.863 10 0 DHAELO OC[C@H]1CC(F)(F)C[N@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000095642941 185383083 /nfs/dbraw/zinc/38/30/83/185383083.db2.gz TZIHRGLELBULOE-QZTJIDSGSA-N 1 2 317.379 3.877 10 0 DHAELO OC[C@H]1CC(F)(F)C[N@@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000095642941 185383084 /nfs/dbraw/zinc/38/30/84/185383084.db2.gz TZIHRGLELBULOE-QZTJIDSGSA-N 1 2 317.379 3.877 10 0 DHAELO CCn1cc[nH+]c1CNc1cc(F)cc(F)c1Br ZINC000190639458 334970076 /nfs/dbraw/zinc/97/00/76/334970076.db2.gz XVANHVJVKXXGDC-UHFFFAOYSA-N 1 2 316.149 3.556 10 0 DHAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1F ZINC000005238433 181220263 /nfs/dbraw/zinc/22/02/63/181220263.db2.gz KNFOYKYZOFUOLA-UHFFFAOYSA-N 1 2 311.360 3.938 10 0 DHAELO [NH3+][C@H]1c2ccsc2N=CN1c1ccc(Br)cc1 ZINC000257352523 203068994 /nfs/dbraw/zinc/06/89/94/203068994.db2.gz LUEFDISPHKQGKH-LLVKDONJSA-N 1 2 308.204 3.648 10 0 DHAELO Cc1cccc(OCCn2c(CCO)[nH+]c3cc(C)c(C)cc32)c1 ZINC000040310796 183053669 /nfs/dbraw/zinc/05/36/69/183053669.db2.gz ATNIWGCXBVWOCU-UHFFFAOYSA-N 1 2 324.424 3.575 10 0 DHAELO CC(C)CN(CC(C)C)c1[nH+]cnc(NC2CCCC2)c1N ZINC000040735897 183126137 /nfs/dbraw/zinc/12/61/37/183126137.db2.gz FIHFEQNRUKFMAI-UHFFFAOYSA-N 1 2 305.470 3.532 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)c1cccc(F)c1)C2 ZINC000106370961 194202060 /nfs/dbraw/zinc/20/20/60/194202060.db2.gz MHOOJVMQJYWLQZ-CYBMUJFWSA-N 1 2 301.409 3.802 10 0 DHAELO CCCn1cc[nH+]c1CNc1ccc(Br)cc1C ZINC000061877282 184191712 /nfs/dbraw/zinc/19/17/12/184191712.db2.gz URNCFEXWNUZRME-UHFFFAOYSA-N 1 2 308.223 3.976 10 0 DHAELO Cc1ccc(Br)cc1Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812676 184188345 /nfs/dbraw/zinc/18/83/45/184188345.db2.gz BURKNUKYSHEUAS-UHFFFAOYSA-N 1 2 322.231 3.530 10 0 DHAELO Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000189014936 333061092 /nfs/dbraw/zinc/06/10/92/333061092.db2.gz PEYQAOHZNKBFBQ-KRWDZBQOSA-N 1 2 311.360 3.942 10 0 DHAELO Fc1ccccc1-n1ccc(C[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000189014936 333061094 /nfs/dbraw/zinc/06/10/94/333061094.db2.gz PEYQAOHZNKBFBQ-KRWDZBQOSA-N 1 2 311.360 3.942 10 0 DHAELO CCn1c(C)nnc1C[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000177869721 333132732 /nfs/dbraw/zinc/13/27/32/333132732.db2.gz UIDBAPWWYCWZQF-UHFFFAOYSA-N 1 2 304.413 3.546 10 0 DHAELO CCn1c(C)nnc1C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000177869721 333132733 /nfs/dbraw/zinc/13/27/33/333132733.db2.gz UIDBAPWWYCWZQF-UHFFFAOYSA-N 1 2 304.413 3.546 10 0 DHAELO C[C@@H](Nc1ccc2ccccc2[nH+]1)C(=O)N1CCc2ccccc21 ZINC000301194291 336294305 /nfs/dbraw/zinc/29/43/05/336294305.db2.gz TUQBCYGTWXFTBS-CQSZACIVSA-N 1 2 317.392 3.625 10 0 DHAELO CC[S@](=O)[C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301575166 336315981 /nfs/dbraw/zinc/31/59/81/336315981.db2.gz SISFYYQPDPJVOU-IDFMNXDXSA-N 1 2 320.380 3.592 10 0 DHAELO Cc1cc(NCCSCC(C)(C)O)c2cccc(F)c2[nH+]1 ZINC000301646317 336320531 /nfs/dbraw/zinc/32/05/31/336320531.db2.gz CZFSTGHXKZZWOK-UHFFFAOYSA-N 1 2 308.422 3.598 10 0 DHAELO COc1cccc2c1[nH+]cc(C)c2N(C)Cc1nc(C)cs1 ZINC000302674073 336364369 /nfs/dbraw/zinc/36/43/69/336364369.db2.gz SXEHZPYIBIQHBZ-UHFFFAOYSA-N 1 2 313.426 3.953 10 0 DHAELO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1nnc2n1CCCC2 ZINC000173360852 337134933 /nfs/dbraw/zinc/13/49/33/337134933.db2.gz VVGYIPSZNHIVKZ-CQSZACIVSA-N 1 2 322.412 3.725 10 0 DHAELO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2n1)c1nnc2n1CCCC2 ZINC000178077094 337160354 /nfs/dbraw/zinc/16/03/54/337160354.db2.gz OXKBGWWRTZJSPU-ZIAGYGMSSA-N 1 2 321.428 3.574 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Br)cc2F)o1 ZINC000220939514 337167069 /nfs/dbraw/zinc/16/70/69/337167069.db2.gz DXMCKVSAZSJRDG-VIFPVBQESA-N 1 2 313.170 3.735 10 0 DHAELO CCn1cc[nH+]c1CSCc1cc(C(=O)OC)ccc1Cl ZINC000180718055 337177463 /nfs/dbraw/zinc/17/74/63/337177463.db2.gz PEKMUVKKEKKFMD-UHFFFAOYSA-N 1 2 324.833 3.776 10 0 DHAELO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181051888 337179436 /nfs/dbraw/zinc/17/94/36/337179436.db2.gz CTKNCPRHGIEBIF-LBPRGKRZSA-N 1 2 318.852 3.929 10 0 DHAELO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181051888 337179437 /nfs/dbraw/zinc/17/94/37/337179437.db2.gz CTKNCPRHGIEBIF-LBPRGKRZSA-N 1 2 318.852 3.929 10 0 DHAELO C[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc(F)c(Cl)c1 ZINC000181714256 337183816 /nfs/dbraw/zinc/18/38/16/337183816.db2.gz UEOOVRIVUBFHRH-SNVBAGLBSA-N 1 2 322.815 3.726 10 0 DHAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183989864 337194298 /nfs/dbraw/zinc/19/42/98/337194298.db2.gz YPRSKZDSDUBQJE-CABCVRRESA-N 1 2 305.466 3.618 10 0 DHAELO CCCc1cccc(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000186927435 337260523 /nfs/dbraw/zinc/26/05/23/337260523.db2.gz PFSULURTFHIDCF-KRWDZBQOSA-N 1 2 316.470 3.978 10 0 DHAELO CCCc1cccc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000186927435 337260524 /nfs/dbraw/zinc/26/05/24/337260524.db2.gz PFSULURTFHIDCF-KRWDZBQOSA-N 1 2 316.470 3.978 10 0 DHAELO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(F)nc1 ZINC000189321902 337278665 /nfs/dbraw/zinc/27/86/65/337278665.db2.gz COZASUAHZQVEQA-MRXNPFEDSA-N 1 2 300.377 3.573 10 0 DHAELO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(F)nc1 ZINC000189321902 337278666 /nfs/dbraw/zinc/27/86/66/337278666.db2.gz COZASUAHZQVEQA-MRXNPFEDSA-N 1 2 300.377 3.573 10 0 DHAELO CCc1nc([C@H]2C[N@H+](CC[C@@H](C)CCC=C(C)C)CCO2)n[nH]1 ZINC000193232988 337309526 /nfs/dbraw/zinc/30/95/26/337309526.db2.gz NYHSRKAWHKOTNO-JKSUJKDBSA-N 1 2 320.481 3.513 10 0 DHAELO CCc1nc([C@H]2C[N@@H+](CC[C@@H](C)CCC=C(C)C)CCO2)n[nH]1 ZINC000193232988 337309527 /nfs/dbraw/zinc/30/95/27/337309527.db2.gz NYHSRKAWHKOTNO-JKSUJKDBSA-N 1 2 320.481 3.513 10 0 DHAELO COCCCOc1cc2c(cc1OC)C=[NH+][C@H](C(C)(C)C)C2 ZINC000584606146 337371730 /nfs/dbraw/zinc/37/17/30/337371730.db2.gz GZAXORCUMWRYRG-KRWDZBQOSA-N 1 2 305.418 3.500 10 0 DHAELO CCCc1nc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cs1 ZINC000114720511 337391710 /nfs/dbraw/zinc/39/17/10/337391710.db2.gz OAMJNWPFYUCGSC-HNNXBMFYSA-N 1 2 318.490 3.783 10 0 DHAELO CCCc1nc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cs1 ZINC000114720511 337391711 /nfs/dbraw/zinc/39/17/11/337391711.db2.gz OAMJNWPFYUCGSC-HNNXBMFYSA-N 1 2 318.490 3.783 10 0 DHAELO O=C(C[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccc(F)cc1Cl ZINC000116288537 337392462 /nfs/dbraw/zinc/39/24/62/337392462.db2.gz IKNVIASWFRXXCY-AWEZNQCLSA-N 1 2 322.767 3.848 10 0 DHAELO O=C(C[N@H+]1CCC[C@H]1c1ccco1)Nc1ccc(F)cc1Cl ZINC000116288537 337392463 /nfs/dbraw/zinc/39/24/63/337392463.db2.gz IKNVIASWFRXXCY-AWEZNQCLSA-N 1 2 322.767 3.848 10 0 DHAELO CC(C)n1cc[nH+]c1CSc1nnc(-c2cccs2)o1 ZINC000195516969 337468088 /nfs/dbraw/zinc/46/80/88/337468088.db2.gz YSXQCYQYUUGFLC-UHFFFAOYSA-N 1 2 306.416 3.868 10 0 DHAELO CC(C)CCCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174908878 340398985 /nfs/dbraw/zinc/39/89/85/340398985.db2.gz VDNDBZXKCPPHID-OAHLLOKOSA-N 1 2 314.433 3.669 10 0 DHAELO C[C@@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247274905 341363041 /nfs/dbraw/zinc/36/30/41/341363041.db2.gz DQJPFXBLSFWMAO-BZUAXINKSA-N 1 2 311.429 3.876 10 0 DHAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC000181390806 519763736 /nfs/dbraw/zinc/76/37/36/519763736.db2.gz OYFSUALQWGOGMN-ZDUSSCGKSA-N 1 2 315.417 3.833 10 0 DHAELO CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000127726291 521475618 /nfs/dbraw/zinc/47/56/18/521475618.db2.gz JATDVOYTWJQQMH-CYBMUJFWSA-N 1 2 320.414 3.640 10 0 DHAELO CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000127726291 521475626 /nfs/dbraw/zinc/47/56/26/521475626.db2.gz JATDVOYTWJQQMH-CYBMUJFWSA-N 1 2 320.414 3.640 10 0 DHAELO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180746622 521625405 /nfs/dbraw/zinc/62/54/05/521625405.db2.gz UQCNCMNAEWGSDD-SNVBAGLBSA-N 1 2 310.804 3.640 10 0 DHAELO CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000131860577 521639343 /nfs/dbraw/zinc/63/93/43/521639343.db2.gz MTMPDBVLAVKZQX-KRWDZBQOSA-N 1 2 323.444 3.517 10 0 DHAELO CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000131860577 521639346 /nfs/dbraw/zinc/63/93/46/521639346.db2.gz MTMPDBVLAVKZQX-KRWDZBQOSA-N 1 2 323.444 3.517 10 0 DHAELO COCc1noc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)n1 ZINC000180234483 523265539 /nfs/dbraw/zinc/26/55/39/523265539.db2.gz NPNGFYKIJTXIBQ-CQSZACIVSA-N 1 2 323.396 3.734 10 0 DHAELO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000181405529 523488545 /nfs/dbraw/zinc/48/85/45/523488545.db2.gz IWFVNPBKROLQAE-KBPBESRZSA-N 1 2 317.433 3.826 10 0 DHAELO Cc1cnc(C[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)s1 ZINC000180468275 526026634 /nfs/dbraw/zinc/02/66/34/526026634.db2.gz RIWGDFZCTAAJBG-HNNXBMFYSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1cnc(C[N@H+]2C[C@@H](c3ccccc3)OCC2(C)C)s1 ZINC000180468275 526026647 /nfs/dbraw/zinc/02/66/47/526026647.db2.gz RIWGDFZCTAAJBG-HNNXBMFYSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1nn(-c2ccccc2)c(C)c1NCc1[nH+]ccn1C(C)C ZINC000189018859 527546471 /nfs/dbraw/zinc/54/64/71/527546471.db2.gz RHANELUFVKFOFJ-UHFFFAOYSA-N 1 2 309.417 3.879 10 0 DHAELO COc1ccc2[nH+]c(-c3cccc(Br)c3)cn2c1 ZINC000095803075 185384028 /nfs/dbraw/zinc/38/40/28/185384028.db2.gz ZEZYJARKXHWNED-UHFFFAOYSA-N 1 2 303.159 3.772 10 0 DHAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000088559883 185257891 /nfs/dbraw/zinc/25/78/91/185257891.db2.gz ULHZXOISYVPCBR-HUUCEWRRSA-N 1 2 320.387 3.695 10 0 DHAELO Nc1ccc2[nH]c(-c3cc(F)ccc3Br)[nH+]c2c1 ZINC000019511113 182126665 /nfs/dbraw/zinc/12/66/65/182126665.db2.gz IXGZZHHJKBMVEN-UHFFFAOYSA-N 1 2 306.138 3.714 10 0 DHAELO Cc1cccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000040295918 183053027 /nfs/dbraw/zinc/05/30/27/183053027.db2.gz ITLPGDRXELYXIV-UHFFFAOYSA-N 1 2 305.381 3.861 10 0 DHAELO Cc1cc(Cl)ccc1Nc1[nH+]cnc(NC(C)(C)C)c1N ZINC000040680398 183116951 /nfs/dbraw/zinc/11/69/51/183116951.db2.gz IGRPMZFOORQLQB-UHFFFAOYSA-N 1 2 305.813 3.975 10 0 DHAELO Cc1cc(Cl)ccc1Nc1nc[nH+]c(NC(C)(C)C)c1N ZINC000040680398 183116952 /nfs/dbraw/zinc/11/69/52/183116952.db2.gz IGRPMZFOORQLQB-UHFFFAOYSA-N 1 2 305.813 3.975 10 0 DHAELO Cc1ccc2cccc(Nc3nc[nH+]c(NC(C)(C)C)c3N)c2n1 ZINC000040680541 183117423 /nfs/dbraw/zinc/11/74/23/183117423.db2.gz ZSAXRULCGIQWQX-UHFFFAOYSA-N 1 2 322.416 3.869 10 0 DHAELO Nc1c(NC2CCCC2)nc[nH+]c1Nc1ccc(F)c(Cl)c1 ZINC000040797667 183135198 /nfs/dbraw/zinc/13/51/98/183135198.db2.gz KWLYUDZWJDADRK-UHFFFAOYSA-N 1 2 321.787 3.949 10 0 DHAELO Nc1c(Nc2ccc(F)c(Cl)c2)nc[nH+]c1NC1CCCC1 ZINC000040797667 183135200 /nfs/dbraw/zinc/13/52/00/183135200.db2.gz KWLYUDZWJDADRK-UHFFFAOYSA-N 1 2 321.787 3.949 10 0 DHAELO Nc1c(Nc2cccc3cccnc32)nc[nH+]c1NC1CCCC1 ZINC000040758475 183129536 /nfs/dbraw/zinc/12/95/36/183129536.db2.gz KKKQOCPUYRRGKV-UHFFFAOYSA-N 1 2 320.400 3.705 10 0 DHAELO Cc1c(Br)ccc2c(N)c(Br)c[nH+]c12 ZINC000041702458 183217573 /nfs/dbraw/zinc/21/75/73/183217573.db2.gz XAGJVQIRVXHWJT-UHFFFAOYSA-N 1 2 315.996 3.650 10 0 DHAELO Brc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000042251282 183246111 /nfs/dbraw/zinc/24/61/11/183246111.db2.gz MPFJULWFPPIGOL-LSDHHAIUSA-N 1 2 310.235 3.593 10 0 DHAELO Brc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000042251282 183246114 /nfs/dbraw/zinc/24/61/14/183246114.db2.gz MPFJULWFPPIGOL-LSDHHAIUSA-N 1 2 310.235 3.593 10 0 DHAELO CCCO[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061630882 184179898 /nfs/dbraw/zinc/17/98/98/184179898.db2.gz SHYLJNJLPCQFJD-LLVKDONJSA-N 1 2 303.233 3.779 10 0 DHAELO CCCO[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000061630882 184179899 /nfs/dbraw/zinc/17/98/99/184179899.db2.gz SHYLJNJLPCQFJD-LLVKDONJSA-N 1 2 303.233 3.779 10 0 DHAELO Brc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000217345121 332347898 /nfs/dbraw/zinc/34/78/98/332347898.db2.gz MPFJULWFPPIGOL-CABCVRRESA-N 1 2 310.235 3.593 10 0 DHAELO Brc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000217345121 332347900 /nfs/dbraw/zinc/34/79/00/332347900.db2.gz MPFJULWFPPIGOL-CABCVRRESA-N 1 2 310.235 3.593 10 0 DHAELO CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000301401112 336304518 /nfs/dbraw/zinc/30/45/18/336304518.db2.gz BZCQGSCZNNWIPB-GASCZTMLSA-N 1 2 322.408 3.814 10 0 DHAELO CC(C)(C)c1nccc(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000301503447 336311017 /nfs/dbraw/zinc/31/10/17/336311017.db2.gz FVRUCAXUFYMMLP-UHFFFAOYSA-N 1 2 321.428 3.631 10 0 DHAELO Cc1ccc2ncnc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC000301917434 336337896 /nfs/dbraw/zinc/33/78/96/336337896.db2.gz BQDCITIGMZVHQV-UHFFFAOYSA-N 1 2 315.380 3.927 10 0 DHAELO Cc1ccc([C@H](C)Nc2nc(N(C)C)nc(C(C)C)[nH+]2)cc1F ZINC000301924952 336338275 /nfs/dbraw/zinc/33/82/75/336338275.db2.gz GQLSNMSROWPAJD-LBPRGKRZSA-N 1 2 317.412 3.682 10 0 DHAELO Cc1ccc([C@H](C)Nc2nc(C(C)C)[nH+]c(N(C)C)n2)cc1F ZINC000301924952 336338276 /nfs/dbraw/zinc/33/82/76/336338276.db2.gz GQLSNMSROWPAJD-LBPRGKRZSA-N 1 2 317.412 3.682 10 0 DHAELO Cc1nc(N[C@H](c2nccs2)C2CC2)c2c([nH+]1)CCCC2 ZINC000302094843 336348224 /nfs/dbraw/zinc/34/82/24/336348224.db2.gz NQFWAXOQDVQPKY-AWEZNQCLSA-N 1 2 300.431 3.684 10 0 DHAELO CC(C)(C)c1csc([C@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)n1 ZINC000171735967 337089058 /nfs/dbraw/zinc/08/90/58/337089058.db2.gz YXWSXBCEWWTQML-UONOGXRCSA-N 1 2 306.475 3.923 10 0 DHAELO CC(C)(C)c1csc([C@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)n1 ZINC000171735967 337089057 /nfs/dbraw/zinc/08/90/57/337089057.db2.gz YXWSXBCEWWTQML-UONOGXRCSA-N 1 2 306.475 3.923 10 0 DHAELO CC(C)c1nccc(N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000172788844 337131033 /nfs/dbraw/zinc/13/10/33/337131033.db2.gz XOAXWECWMOGHHQ-CQSZACIVSA-N 1 2 307.401 3.959 10 0 DHAELO Cc1cc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000173920807 337137566 /nfs/dbraw/zinc/13/75/66/337137566.db2.gz GHTGLRDFKIFOSQ-AWEZNQCLSA-N 1 2 323.371 3.811 10 0 DHAELO Cc1ccc(C)c(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173922494 337137659 /nfs/dbraw/zinc/13/76/59/337137659.db2.gz IIWJEZPUBGWNOP-INIZCTEOSA-N 1 2 319.408 3.980 10 0 DHAELO C[C@H](NC(=O)c1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938252 337137700 /nfs/dbraw/zinc/13/77/00/337137700.db2.gz RGFFZANZLGCBSP-ZDUSSCGKSA-N 1 2 309.344 3.502 10 0 DHAELO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000175148514 337144635 /nfs/dbraw/zinc/14/46/35/337144635.db2.gz PKJVLCJANNURKQ-LBPRGKRZSA-N 1 2 302.422 3.636 10 0 DHAELO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccs1 ZINC000182553113 337188927 /nfs/dbraw/zinc/18/89/27/337188927.db2.gz CARQVAOKHSWDQH-VIFPVBQESA-N 1 2 321.352 3.927 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1F ZINC000184660833 337199708 /nfs/dbraw/zinc/19/97/08/337199708.db2.gz VNWNFSXODNFWMO-MNOVXSKESA-N 1 2 322.815 3.819 10 0 DHAELO Fc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1Br ZINC000156762353 338383248 /nfs/dbraw/zinc/38/32/48/338383248.db2.gz LGRCEOQCYYDBAW-CYBMUJFWSA-N 1 2 322.177 3.812 10 0 DHAELO Fc1ccc(Br)c(F)c1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000500984310 340071159 /nfs/dbraw/zinc/07/11/59/340071159.db2.gz NOKUAVVDSTWWSM-UFBFGSQYSA-N 1 2 302.162 3.712 10 0 DHAELO Fc1ccc(Br)c(F)c1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000500984310 340071160 /nfs/dbraw/zinc/07/11/60/340071160.db2.gz NOKUAVVDSTWWSM-UFBFGSQYSA-N 1 2 302.162 3.712 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CCCCC1(C)C)C2 ZINC000194106692 340589065 /nfs/dbraw/zinc/58/90/65/340589065.db2.gz VVZQJFXBYAESDZ-CQSZACIVSA-N 1 2 317.477 3.645 10 0 DHAELO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000132482758 341124286 /nfs/dbraw/zinc/12/42/86/341124286.db2.gz KOIJMYIVJIYLKW-GWCFXTLKSA-N 1 2 315.244 3.655 10 0 DHAELO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000132482758 341124287 /nfs/dbraw/zinc/12/42/87/341124287.db2.gz KOIJMYIVJIYLKW-GWCFXTLKSA-N 1 2 315.244 3.655 10 0 DHAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000248500340 341378871 /nfs/dbraw/zinc/37/88/71/341378871.db2.gz SOHKILYSGFWELB-IHRRRGAJSA-N 1 2 322.474 3.573 10 0 DHAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(C(C)C)s1 ZINC000248500340 341378872 /nfs/dbraw/zinc/37/88/72/341378872.db2.gz SOHKILYSGFWELB-IHRRRGAJSA-N 1 2 322.474 3.573 10 0 DHAELO COC[C@@H](C)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000103430965 522176328 /nfs/dbraw/zinc/17/63/28/522176328.db2.gz ILMSKUAKHQKJNP-CQSZACIVSA-N 1 2 323.396 3.531 10 0 DHAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191337051 522513812 /nfs/dbraw/zinc/51/38/12/522513812.db2.gz IADUQPQFVIAEHE-KOLCDFICSA-N 1 2 310.854 3.741 10 0 DHAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC)c1ccccc1F ZINC000180744550 522518358 /nfs/dbraw/zinc/51/83/58/522518358.db2.gz VSKZSWPCVDUGDR-LSDHHAIUSA-N 1 2 302.397 3.555 10 0 DHAELO CCn1c(C)nnc1C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000182185313 523152525 /nfs/dbraw/zinc/15/25/25/523152525.db2.gz HKGFDRGSPBVHCZ-UHFFFAOYSA-N 1 2 320.440 3.660 10 0 DHAELO CCn1c(C)nnc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000154623046 523156519 /nfs/dbraw/zinc/15/65/19/523156519.db2.gz XCWZCHBUSICTGG-LJQANCHMSA-N 1 2 324.403 3.625 10 0 DHAELO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000182608184 523486423 /nfs/dbraw/zinc/48/64/23/523486423.db2.gz BVKMVYQCIKBPIF-STQMWFEESA-N 1 2 317.433 3.925 10 0 DHAELO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000181405488 523923161 /nfs/dbraw/zinc/92/31/61/523923161.db2.gz IWFVNPBKROLQAE-UONOGXRCSA-N 1 2 317.433 3.826 10 0 DHAELO C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000191630351 525014439 /nfs/dbraw/zinc/01/44/39/525014439.db2.gz AAHYZAYSEHQQSZ-DYVFJYSZSA-N 1 2 312.369 3.628 10 0 DHAELO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](C/C=C/Cl)C1 ZINC000161041593 527679661 /nfs/dbraw/zinc/67/96/61/527679661.db2.gz ZJANLICAVSFVJW-MHDDQSTRSA-N 1 2 305.727 3.566 10 0 DHAELO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](C/C=C/Cl)C1 ZINC000161041593 527679663 /nfs/dbraw/zinc/67/96/63/527679663.db2.gz ZJANLICAVSFVJW-MHDDQSTRSA-N 1 2 305.727 3.566 10 0 DHAELO Cc1ccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)o1 ZINC000093864729 1032562410 /nfs/dbraw/zinc/56/24/10/1032562410.db2.gz JACJFORUTUDWFC-SFHVURJKSA-N 1 2 323.396 3.552 10 0 DHAELO Cc1ccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)o1 ZINC000093864729 1032562415 /nfs/dbraw/zinc/56/24/15/1032562415.db2.gz JACJFORUTUDWFC-SFHVURJKSA-N 1 2 323.396 3.552 10 0 DHAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000090226115 185287828 /nfs/dbraw/zinc/28/78/28/185287828.db2.gz NKDMROPXYJQAJW-LKFCYVNXSA-N 1 2 308.788 3.565 10 0 DHAELO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1N(CC)CC ZINC000072237218 191080804 /nfs/dbraw/zinc/08/08/04/191080804.db2.gz NZOWNHRXVOUBKS-UHFFFAOYSA-N 1 2 316.401 3.656 10 0 DHAELO [NH3+]c1ccc2c(c1)CCCN2Cc1ccc(Br)cc1 ZINC000019875242 182159382 /nfs/dbraw/zinc/15/93/82/182159382.db2.gz JVHYIOLZMKTYSJ-UHFFFAOYSA-N 1 2 317.230 3.984 10 0 DHAELO CC(C)c1[nH+]c2ccccc2n1CCC(=O)N1CCCCCC1 ZINC000040231404 183048475 /nfs/dbraw/zinc/04/84/75/183048475.db2.gz JTYVCBDZQHZWTD-UHFFFAOYSA-N 1 2 313.445 3.952 10 0 DHAELO Cc1ccc(C)c(Cn2c3cc(C)c(C)cc3[nH+]c2CCO)c1 ZINC000040310670 183053616 /nfs/dbraw/zinc/05/36/16/183053616.db2.gz LKSLRGKVXPGDCG-UHFFFAOYSA-N 1 2 308.425 3.853 10 0 DHAELO Nc1c(NCc2ccc(F)cc2)nc[nH+]c1Nc1ccccc1 ZINC000040781118 183132951 /nfs/dbraw/zinc/13/29/51/183132951.db2.gz VTZBUHNMOFIQMQ-UHFFFAOYSA-N 1 2 309.348 3.554 10 0 DHAELO Nc1c(Nc2ccccc2)nc[nH+]c1NCc1ccc(F)cc1 ZINC000040781118 183132953 /nfs/dbraw/zinc/13/29/53/183132953.db2.gz VTZBUHNMOFIQMQ-UHFFFAOYSA-N 1 2 309.348 3.554 10 0 DHAELO CN(C)c1nc[nH+]c(Nc2ccc(Oc3ccccc3)cc2)c1N ZINC000040723653 183124489 /nfs/dbraw/zinc/12/44/89/183124489.db2.gz JXHLIALEJOGMCK-UHFFFAOYSA-N 1 2 321.384 3.661 10 0 DHAELO COc1ccc(-c2cc3c(cccc3N(C)C)c(N)[nH+]2)cc1OC ZINC000064539853 184299040 /nfs/dbraw/zinc/29/90/40/184299040.db2.gz KQEAPCMHQXNHHL-UHFFFAOYSA-N 1 2 323.396 3.567 10 0 DHAELO CC[C@H]([NH2+]Cc1csc(N(CC)C(C)=O)n1)c1cccs1 ZINC000049529402 332315477 /nfs/dbraw/zinc/31/54/77/332315477.db2.gz JQLVPTIPHHOSKZ-ZDUSSCGKSA-N 1 2 323.487 3.818 10 0 DHAELO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000192649481 336254447 /nfs/dbraw/zinc/25/44/47/336254447.db2.gz PGGIGAKONKVFFK-KBPBESRZSA-N 1 2 315.335 3.565 10 0 DHAELO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000192649481 336254448 /nfs/dbraw/zinc/25/44/48/336254448.db2.gz PGGIGAKONKVFFK-KBPBESRZSA-N 1 2 315.335 3.565 10 0 DHAELO Fc1ccc2ncnc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC000301923886 336338271 /nfs/dbraw/zinc/33/82/71/336338271.db2.gz HKTZTHDKOQHYMB-UHFFFAOYSA-N 1 2 319.343 3.757 10 0 DHAELO Clc1ccc2c(c1)CC[C@@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302880115 336373011 /nfs/dbraw/zinc/37/30/11/336373011.db2.gz HHMWIORHQGYSNG-HNNXBMFYSA-N 1 2 314.820 3.830 10 0 DHAELO Clc1ccc2c(c1)CC[C@@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302880115 336373012 /nfs/dbraw/zinc/37/30/12/336373012.db2.gz HHMWIORHQGYSNG-HNNXBMFYSA-N 1 2 314.820 3.830 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(F)c(Cl)c1 ZINC000173627574 337136943 /nfs/dbraw/zinc/13/69/43/337136943.db2.gz HKCFKYBAQIVAFM-MNOVXSKESA-N 1 2 322.815 3.819 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1nnc2n1CCCC2 ZINC000173631266 337136954 /nfs/dbraw/zinc/13/69/54/337136954.db2.gz HZDRTVXUTPSWKW-NWDGAFQWSA-N 1 2 304.825 3.680 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1Cl ZINC000173631256 337136981 /nfs/dbraw/zinc/13/69/81/337136981.db2.gz HZDRTVXUTPSWKW-NEPJUHHUSA-N 1 2 304.825 3.680 10 0 DHAELO Cc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000173932855 337137625 /nfs/dbraw/zinc/13/76/25/337137625.db2.gz RMMDPXLFXKVGLX-ZDUSSCGKSA-N 1 2 311.410 3.733 10 0 DHAELO Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000175679821 337147030 /nfs/dbraw/zinc/14/70/30/337147030.db2.gz GGYXPGFZJFFSSJ-MRXNPFEDSA-N 1 2 323.396 3.899 10 0 DHAELO Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000175679821 337147031 /nfs/dbraw/zinc/14/70/31/337147031.db2.gz GGYXPGFZJFFSSJ-MRXNPFEDSA-N 1 2 323.396 3.899 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc2ccccc2n1 ZINC000178077070 337160334 /nfs/dbraw/zinc/16/03/34/337160334.db2.gz OXKBGWWRTZJSPU-KGLIPLIRSA-N 1 2 321.428 3.574 10 0 DHAELO CCn1cc[nH+]c1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000183460097 337191856 /nfs/dbraw/zinc/19/18/56/337191856.db2.gz QCIJEZALWVMCIO-CYBMUJFWSA-N 1 2 319.277 3.574 10 0 DHAELO C[C@H]1C[C@H](C(=O)NCCCCNc2cccc[nH+]2)CC(C)(C)C1 ZINC000183662925 337194070 /nfs/dbraw/zinc/19/40/70/337194070.db2.gz PLTNCSGLMJKKLT-HOTGVXAUSA-N 1 2 317.477 3.852 10 0 DHAELO Fc1c[nH+]ccc1NCc1ccccc1OCc1cccnc1 ZINC000192150247 337303311 /nfs/dbraw/zinc/30/33/11/337303311.db2.gz VNKVAUZBLVUTCB-UHFFFAOYSA-N 1 2 309.344 3.807 10 0 DHAELO CCCc1nc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cs1 ZINC000114720510 337391757 /nfs/dbraw/zinc/39/17/57/337391757.db2.gz OAMJNWPFYUCGSC-OAHLLOKOSA-N 1 2 318.490 3.783 10 0 DHAELO CCCc1nc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cs1 ZINC000114720510 337391758 /nfs/dbraw/zinc/39/17/58/337391758.db2.gz OAMJNWPFYUCGSC-OAHLLOKOSA-N 1 2 318.490 3.783 10 0 DHAELO CCn1cc[nH+]c1CNc1ccc(Br)cc1Cl ZINC000051921435 337446605 /nfs/dbraw/zinc/44/66/05/337446605.db2.gz PHMXUYDLNOZXSH-UHFFFAOYSA-N 1 2 314.614 3.931 10 0 DHAELO CC(C)(C)[C@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)c1cccs1 ZINC000080597017 337680403 /nfs/dbraw/zinc/68/04/03/337680403.db2.gz QGKBPFNPVCJUNF-GXTWGEPZSA-N 1 2 317.458 3.726 10 0 DHAELO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1c(Cl)ccc(F)c1Cl ZINC000125814834 340810479 /nfs/dbraw/zinc/81/04/79/340810479.db2.gz IXRFWQQCCODQAI-MRVPVSSYSA-N 1 2 321.223 3.698 10 0 DHAELO CC(C)[C@H](C)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471259 341207948 /nfs/dbraw/zinc/20/79/48/341207948.db2.gz AHOTWFXEAVXYBK-HUUCEWRRSA-N 1 2 314.433 3.525 10 0 DHAELO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000179845262 518444387 /nfs/dbraw/zinc/44/43/87/518444387.db2.gz KMNKUDYESWWJLQ-IDKBZEPQSA-N 1 2 314.454 3.928 10 0 DHAELO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000179845262 518444393 /nfs/dbraw/zinc/44/43/93/518444393.db2.gz KMNKUDYESWWJLQ-IDKBZEPQSA-N 1 2 314.454 3.928 10 0 DHAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191337019 522510970 /nfs/dbraw/zinc/51/09/70/522510970.db2.gz IADUQPQFVIAEHE-ONGXEEELSA-N 1 2 310.854 3.741 10 0 DHAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181730831 522744546 /nfs/dbraw/zinc/74/45/46/522744546.db2.gz VSGDYVYFJYAFAQ-AWEZNQCLSA-N 1 2 317.433 3.908 10 0 DHAELO Fc1ccccc1[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000124434133 526418342 /nfs/dbraw/zinc/41/83/42/526418342.db2.gz WCOYTCLVJATOAX-HXUWFJFHSA-N 1 2 322.383 3.947 10 0 DHAELO Fc1ccccc1[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000124434133 526418348 /nfs/dbraw/zinc/41/83/48/526418348.db2.gz WCOYTCLVJATOAX-HXUWFJFHSA-N 1 2 322.383 3.947 10 0 DHAELO Clc1ccccc1C[NH2+]Cc1sncc1Br ZINC000669379415 563869534 /nfs/dbraw/zinc/86/95/34/563869534.db2.gz AAJGRCOCAQZDNI-UHFFFAOYSA-N 1 2 317.639 3.849 10 0 DHAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cccc(F)c1 ZINC000226261120 563913238 /nfs/dbraw/zinc/91/32/38/563913238.db2.gz DUYSMURPQYCDSB-UHFFFAOYSA-N 1 2 301.365 3.506 10 0 DHAELO Cc1csc(C[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)n1 ZINC000088594639 185258793 /nfs/dbraw/zinc/25/87/93/185258793.db2.gz PVAJWEFLQUNLNI-HNNXBMFYSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1csc(C[N@H+]2C[C@@H](c3ccccc3)OCC2(C)C)n1 ZINC000088594639 185258794 /nfs/dbraw/zinc/25/87/94/185258794.db2.gz PVAJWEFLQUNLNI-HNNXBMFYSA-N 1 2 302.443 3.804 10 0 DHAELO c1csc([C@@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000092831402 185344718 /nfs/dbraw/zinc/34/47/18/185344718.db2.gz IUDIOEXFHQLUHU-AWEZNQCLSA-N 1 2 316.451 3.931 10 0 DHAELO c1csc([C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000092831402 185344719 /nfs/dbraw/zinc/34/47/19/185344719.db2.gz IUDIOEXFHQLUHU-AWEZNQCLSA-N 1 2 316.451 3.931 10 0 DHAELO CN(C)c1nc(NCc2ccccc2Cl)c2ccccc2[nH+]1 ZINC000072260558 191088825 /nfs/dbraw/zinc/08/88/25/191088825.db2.gz TWCWPYRLEGKYFC-UHFFFAOYSA-N 1 2 312.804 3.961 10 0 DHAELO c1[nH]c(CCc2cnc3ccccc3n2)[nH+]c1-c1ccccc1 ZINC000072318705 191121209 /nfs/dbraw/zinc/12/12/09/191121209.db2.gz HMXBVTKCTWFFHC-UHFFFAOYSA-N 1 2 300.365 3.805 10 0 in-vitro DHAELO C[C@@]1(c2ccccc2)c2ccccc2N(C[NH+]2CCCCC2)C1=O ZINC000003604507 181039306 /nfs/dbraw/zinc/03/93/06/181039306.db2.gz SVIWCQZMJCTJMJ-OAQYLSRUSA-N 1 2 320.436 3.783 10 0 DHAELO CN(C)c1[nH+]cccc1NCc1cc(Br)ccc1F ZINC000037028588 182862511 /nfs/dbraw/zinc/86/25/11/182862511.db2.gz QVYZACOOBRQERG-UHFFFAOYSA-N 1 2 324.197 3.661 10 0 DHAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1ccccc1C ZINC000040295532 183052050 /nfs/dbraw/zinc/05/20/50/183052050.db2.gz MXSVXEKXZGIWHB-UHFFFAOYSA-N 1 2 307.397 3.909 10 0 DHAELO COc1ccc(NC(=O)Cn2c(C)[nH+]c3cc(C)c(C)cc32)cc1 ZINC000040295564 183052704 /nfs/dbraw/zinc/05/27/04/183052704.db2.gz ITHIRUQKEBFRCU-UHFFFAOYSA-N 1 2 323.396 3.609 10 0 DHAELO Cc1ccc(Cn2c3cc(C)c(C)cc3[nH+]c2CCCO)cc1 ZINC000040310958 183053422 /nfs/dbraw/zinc/05/34/22/183053422.db2.gz HTCARNHECZRJPP-UHFFFAOYSA-N 1 2 308.425 3.935 10 0 DHAELO CCc1[nH+]c2ccccc2n1CCc1ccc(OC)c(OC)c1 ZINC000040389930 183060085 /nfs/dbraw/zinc/06/00/85/183060085.db2.gz FVJPESHSQWSSJS-UHFFFAOYSA-N 1 2 310.397 3.859 10 0 DHAELO Nc1c(Nc2ccccc2F)nc[nH+]c1NC1CCCCC1 ZINC000040708523 183120882 /nfs/dbraw/zinc/12/08/82/183120882.db2.gz UDVLSXBYGWGVNZ-UHFFFAOYSA-N 1 2 301.369 3.686 10 0 DHAELO CC(C)Nc1[nH+]cnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040708147 183120904 /nfs/dbraw/zinc/12/09/04/183120904.db2.gz XEOYSOPKCQGCTQ-UHFFFAOYSA-N 1 2 312.204 3.930 10 0 DHAELO CCNc1[nH+]cnc(NN(c2ccccc2)c2ccccc2)c1N ZINC000040707343 183121023 /nfs/dbraw/zinc/12/10/23/183121023.db2.gz RPSJZTQSGKSBLP-UHFFFAOYSA-N 1 2 320.400 3.656 10 0 DHAELO Nc1c(Nc2cccc3ncccc32)nc[nH+]c1NC1CCCC1 ZINC000040796995 183135503 /nfs/dbraw/zinc/13/55/03/183135503.db2.gz WWMZVGSOEQXKNZ-UHFFFAOYSA-N 1 2 320.400 3.705 10 0 DHAELO Nc1c(NC2CCCC2)nc[nH+]c1Nc1cccc2ncccc21 ZINC000040796995 183135505 /nfs/dbraw/zinc/13/55/05/183135505.db2.gz WWMZVGSOEQXKNZ-UHFFFAOYSA-N 1 2 320.400 3.705 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(Br)ccc2C)o1 ZINC000313685587 332817148 /nfs/dbraw/zinc/81/71/48/332817148.db2.gz AHLPNSIVNCCTTH-NSHDSACASA-N 1 2 309.207 3.905 10 0 DHAELO C[C@@H](NC(=O)Nc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174217751 331518664 /nfs/dbraw/zinc/51/86/64/331518664.db2.gz VUFUKULRDXGVIJ-CYBMUJFWSA-N 1 2 324.359 3.894 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1(C)CCCCCC1)C2 ZINC000180776306 331576855 /nfs/dbraw/zinc/57/68/55/331576855.db2.gz PKZLFEOVQGAYOV-UHFFFAOYSA-N 1 2 317.477 3.789 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CC1CCCCCC1)C2 ZINC000176476217 332943322 /nfs/dbraw/zinc/94/33/22/332943322.db2.gz VPIMVZRMUWLJSY-UHFFFAOYSA-N 1 2 317.477 3.789 10 0 DHAELO C[C@H]([NH2+]Cc1nc(=O)c2sccc2[nH]1)c1ccc(Cl)cc1 ZINC000042259574 332240360 /nfs/dbraw/zinc/24/03/60/332240360.db2.gz GDGPQGKNFLGSJV-VIFPVBQESA-N 1 2 319.817 3.901 10 0 DHAELO Cc1ccc2nc(C)c(C(=O)N3CCC[C@H]3c3[nH]cc[nH+]3)cc2c1 ZINC000329384490 335970372 /nfs/dbraw/zinc/97/03/72/335970372.db2.gz RPRHTWDQNVATPK-KRWDZBQOSA-N 1 2 320.396 3.552 10 0 DHAELO c1ccc(Nc2ccc(Nc3ccc4nccnc4n3)c[nH+]2)cc1 ZINC000301248600 336296717 /nfs/dbraw/zinc/29/67/17/336296717.db2.gz RBEUKDLQUUSERE-UHFFFAOYSA-N 1 2 314.352 3.907 10 0 DHAELO c1ccc(OC[C@@H]2CCCN(c3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000301252421 336296919 /nfs/dbraw/zinc/29/69/19/336296919.db2.gz ALQFVQQYMGMFSO-OAHLLOKOSA-N 1 2 309.413 3.649 10 0 DHAELO Cc1ccc(CNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)s1 ZINC000301266536 336297665 /nfs/dbraw/zinc/29/76/65/336297665.db2.gz UFRVXTFMMFVXRY-LBPRGKRZSA-N 1 2 302.447 3.695 10 0 DHAELO Cc1ccc(CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)s1 ZINC000301266536 336297666 /nfs/dbraw/zinc/29/76/66/336297666.db2.gz UFRVXTFMMFVXRY-LBPRGKRZSA-N 1 2 302.447 3.695 10 0 DHAELO COc1cc(OC)cc([C@@H]2CCN(c3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000301890990 336336530 /nfs/dbraw/zinc/33/65/30/336336530.db2.gz RDTJVHYEMOGJFR-CYBMUJFWSA-N 1 2 323.396 3.574 10 0 DHAELO Cc1cc(NC[C@](C)(O)c2ccccc2Cl)nc(C(C)C)[nH+]1 ZINC000302191203 336353273 /nfs/dbraw/zinc/35/32/73/336353273.db2.gz YWVAMPPJVCWIJK-KRWDZBQOSA-N 1 2 319.836 3.881 10 0 DHAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)o1 ZINC000171234604 337086148 /nfs/dbraw/zinc/08/61/48/337086148.db2.gz ZMAWMGBXYFDQTE-NSHDSACASA-N 1 2 301.321 3.628 10 0 DHAELO CCc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000172246203 337091523 /nfs/dbraw/zinc/09/15/23/337091523.db2.gz ZUFMHQSCFOLDQF-SFHVURJKSA-N 1 2 324.472 3.904 10 0 DHAELO CCc1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000172246203 337091524 /nfs/dbraw/zinc/09/15/24/337091524.db2.gz ZUFMHQSCFOLDQF-SFHVURJKSA-N 1 2 324.472 3.904 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc3c(c1)CCC3)C2 ZINC000172290339 337091610 /nfs/dbraw/zinc/09/16/10/337091610.db2.gz RYDGBIQIBHFGRZ-UHFFFAOYSA-N 1 2 309.457 3.591 10 0 DHAELO CC(C)c1nc2c(n1C)CC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000172290339 337091611 /nfs/dbraw/zinc/09/16/11/337091611.db2.gz RYDGBIQIBHFGRZ-UHFFFAOYSA-N 1 2 309.457 3.591 10 0 DHAELO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000172290339 337091612 /nfs/dbraw/zinc/09/16/12/337091612.db2.gz RYDGBIQIBHFGRZ-UHFFFAOYSA-N 1 2 309.457 3.591 10 0 DHAELO CC(C)c1nc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)cc[nH+]1 ZINC000172809214 337131286 /nfs/dbraw/zinc/13/12/86/337131286.db2.gz SQHQNHQSVAREEK-SJORKVTESA-N 1 2 311.429 3.693 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Br)c(F)c2)o1 ZINC000220929171 337167055 /nfs/dbraw/zinc/16/70/55/337167055.db2.gz XUPSYUUHGSAJKS-VIFPVBQESA-N 1 2 313.170 3.735 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(Br)ccc2F)o1 ZINC000220906043 337167096 /nfs/dbraw/zinc/16/70/96/337167096.db2.gz DLXDOMGFOHQSMU-VIFPVBQESA-N 1 2 313.170 3.735 10 0 DHAELO C[C@H]1C[C@H](C(=O)N(C)c2ccc[nH+]c2N(C)C)CC(C)(C)C1 ZINC000180971520 337178981 /nfs/dbraw/zinc/17/89/81/337178981.db2.gz UYKWKGPSCSHFBB-KBPBESRZSA-N 1 2 303.450 3.573 10 0 DHAELO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccs1 ZINC000182553133 337188934 /nfs/dbraw/zinc/18/89/34/337188934.db2.gz CARQVAOKHSWDQH-SECBINFHSA-N 1 2 321.352 3.927 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)cc2Br)o1 ZINC000227556234 337249400 /nfs/dbraw/zinc/24/94/00/337249400.db2.gz CLPPDMDEQZYOND-LLVKDONJSA-N 1 2 309.207 3.905 10 0 DHAELO O=C(Cc1cccc2[nH+]ccn21)Nc1cc2ccccc2s1 ZINC000584605449 337371553 /nfs/dbraw/zinc/37/15/53/337371553.db2.gz OFKJKVRGHNVEPS-UHFFFAOYSA-N 1 2 307.378 3.730 10 0 DHAELO COc1cc2cc(C)[nH+]c([C@@H](O)c3ccccc3)c2cc1OC ZINC000584620041 337371839 /nfs/dbraw/zinc/37/18/39/337371839.db2.gz YUFYYHQDCIIMDN-IBGZPJMESA-N 1 2 309.365 3.642 10 0 DHAELO C[C@@H]([NH2+][C@@H]1CC(C)(C)Cc2occc21)c1nnc2n1CCCC2 ZINC000130910688 337435197 /nfs/dbraw/zinc/43/51/97/337435197.db2.gz YONJBDDJGKSMMJ-TZMCWYRMSA-N 1 2 314.433 3.572 10 0 DHAELO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195086553 337464827 /nfs/dbraw/zinc/46/48/27/337464827.db2.gz XXDSBXJHMNKKJK-ROUUACIJSA-N 1 2 322.387 3.700 10 0 DHAELO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247452911 337559702 /nfs/dbraw/zinc/55/97/02/337559702.db2.gz JINRXOHITHLLIP-BZZMCLGOSA-N 1 2 315.461 3.509 10 0 DHAELO CC(C)c1nn(C)c(Cl)c1CN1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000092729369 337907646 /nfs/dbraw/zinc/90/76/46/337907646.db2.gz WVLZDNHYYSTBJU-ZDUSSCGKSA-N 1 2 321.856 3.647 10 0 DHAELO CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175882113 340422504 /nfs/dbraw/zinc/42/25/04/340422504.db2.gz UHABKRHPXOOLEC-KKUMJFAQSA-N 1 2 314.433 3.667 10 0 DHAELO Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000088252916 340459625 /nfs/dbraw/zinc/45/96/25/340459625.db2.gz VULMLVHVDQIVSB-CQSZACIVSA-N 1 2 323.371 3.811 10 0 DHAELO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(Cl)s2)n1 ZINC000130331282 341017302 /nfs/dbraw/zinc/01/73/02/341017302.db2.gz KUHLHBNDDLNOAT-IUCAKERBSA-N 1 2 315.826 3.733 10 0 DHAELO CCN(CC)C(=O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000135129676 341232012 /nfs/dbraw/zinc/23/20/12/341232012.db2.gz TZGLNAYQPXMQJU-VIFPVBQESA-N 1 2 321.223 3.652 10 0 DHAELO C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1nc(C(C)(C)C)no1 ZINC000174660400 341830336 /nfs/dbraw/zinc/83/03/36/341830336.db2.gz OKCJEYXLBLVTKW-LBPRGKRZSA-N 1 2 310.401 3.766 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CCCC(C)(C)C1)C2 ZINC000178910885 341970908 /nfs/dbraw/zinc/97/09/08/341970908.db2.gz DEUHHTUASOUIRA-CQSZACIVSA-N 1 2 317.477 3.645 10 0 DHAELO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000182552137 519761200 /nfs/dbraw/zinc/76/12/00/519761200.db2.gz JWQFKUDNIKOBOI-NWDGAFQWSA-N 1 2 309.435 3.716 10 0 DHAELO COc1cc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc(OC)c1 ZINC000127669652 522373809 /nfs/dbraw/zinc/37/38/09/522373809.db2.gz JAJZVVPRZDTLML-INIZCTEOSA-N 1 2 318.442 3.888 10 0 DHAELO COc1cc(C[N@H+]2CCCC[C@H]2c2nccs2)cc(OC)c1 ZINC000127669652 522373820 /nfs/dbraw/zinc/37/38/20/522373820.db2.gz JAJZVVPRZDTLML-INIZCTEOSA-N 1 2 318.442 3.888 10 0 DHAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191337062 522519170 /nfs/dbraw/zinc/51/91/70/522519170.db2.gz IADUQPQFVIAEHE-MWLCHTKSSA-N 1 2 310.854 3.741 10 0 DHAELO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(Cl)c1F ZINC000161754911 522924041 /nfs/dbraw/zinc/92/40/41/522924041.db2.gz KLHYVFWJXYADHG-CHWSQXEVSA-N 1 2 308.788 3.646 10 0 DHAELO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc3ccccc3c2)n1 ZINC000181489177 523923088 /nfs/dbraw/zinc/92/30/88/523923088.db2.gz UOUTYMXYXDMRLC-CHWSQXEVSA-N 1 2 311.385 3.781 10 0 DHAELO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc(F)c(F)c1 ZINC000181617978 525566134 /nfs/dbraw/zinc/56/61/34/525566134.db2.gz PNSNUTVYZVGGSS-SNVBAGLBSA-N 1 2 318.371 3.619 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccco3)no2)o1 ZINC000124768821 525803199 /nfs/dbraw/zinc/80/31/99/525803199.db2.gz AOVDHOMQGLVSAN-ZDUSSCGKSA-N 1 2 313.357 3.958 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccco3)no2)o1 ZINC000124768821 525803207 /nfs/dbraw/zinc/80/32/07/525803207.db2.gz AOVDHOMQGLVSAN-ZDUSSCGKSA-N 1 2 313.357 3.958 10 0 DHAELO Clc1ccccc1CCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000181866177 526986734 /nfs/dbraw/zinc/98/67/34/526986734.db2.gz JTDDCXVMDJUHCZ-HNNXBMFYSA-N 1 2 322.861 3.803 10 0 DHAELO Clc1ccccc1CCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000181866177 526986741 /nfs/dbraw/zinc/98/67/41/526986741.db2.gz JTDDCXVMDJUHCZ-HNNXBMFYSA-N 1 2 322.861 3.803 10 0 DHAELO CC[NH+](CC)c1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 ZINC000226264922 563913390 /nfs/dbraw/zinc/91/33/90/563913390.db2.gz KPNJHUVHIINOBU-UHFFFAOYSA-N 1 2 315.808 3.502 10 0 DHAELO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccccc1 ZINC000226254203 563913415 /nfs/dbraw/zinc/91/34/15/563913415.db2.gz WURILGTUCNJEHP-AWEZNQCLSA-N 1 2 309.413 3.900 10 0 DHAELO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccccc1 ZINC000226254203 563913416 /nfs/dbraw/zinc/91/34/16/563913416.db2.gz WURILGTUCNJEHP-AWEZNQCLSA-N 1 2 309.413 3.900 10 0 DHAELO c1[nH]c([C@H]2CCCN(c3cccc[nH+]3)C2)nc1-c1ccccc1 ZINC000091483330 1019471987 /nfs/dbraw/zinc/47/19/87/1019471987.db2.gz RJVKUHRXSJBEKR-INIZCTEOSA-N 1 2 304.397 3.856 10 0 DHAELO C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3Cl)o2)CCS1 ZINC000075715301 1030683325 /nfs/dbraw/zinc/68/33/25/1030683325.db2.gz NIFNCTUKRRIPEB-LLVKDONJSA-N 1 2 308.834 3.932 10 0 DHAELO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)CCS1 ZINC000075715301 1030683348 /nfs/dbraw/zinc/68/33/48/1030683348.db2.gz NIFNCTUKRRIPEB-LLVKDONJSA-N 1 2 308.834 3.932 10 0 DHAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000090226114 185287579 /nfs/dbraw/zinc/28/75/79/185287579.db2.gz NKDMROPXYJQAJW-XPTSAGLGSA-N 1 2 308.788 3.565 10 0 DHAELO CC(C)(C)c1csc([C@H]2C[N@H+](Cc3ccco3)CCO2)n1 ZINC000092790619 185341224 /nfs/dbraw/zinc/34/12/24/185341224.db2.gz UBXCSVSXXJNRDH-CYBMUJFWSA-N 1 2 306.431 3.607 10 0 DHAELO CC(C)(C)c1csc([C@H]2C[N@@H+](Cc3ccco3)CCO2)n1 ZINC000092790619 185341225 /nfs/dbraw/zinc/34/12/25/185341225.db2.gz UBXCSVSXXJNRDH-CYBMUJFWSA-N 1 2 306.431 3.607 10 0 DHAELO Cc1ccc(C[N@@H+]2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)o1 ZINC000092790509 185341604 /nfs/dbraw/zinc/34/16/04/185341604.db2.gz FXKMLQRAGGUZCG-CQSZACIVSA-N 1 2 320.458 3.916 10 0 DHAELO Cc1ccc(C[N@H+]2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)o1 ZINC000092790509 185341605 /nfs/dbraw/zinc/34/16/05/185341605.db2.gz FXKMLQRAGGUZCG-CQSZACIVSA-N 1 2 320.458 3.916 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(c1ncccc1C(F)(F)F)C2 ZINC000108952534 185543009 /nfs/dbraw/zinc/54/30/09/185543009.db2.gz PWYPGLNRQHTQPT-UHFFFAOYSA-N 1 2 324.350 3.520 10 0 DHAELO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000091348577 193045197 /nfs/dbraw/zinc/04/51/97/193045197.db2.gz NABTVKYMSFFQPY-GFCCVEGCSA-N 1 2 300.431 3.672 10 0 DHAELO Nc1ccc2[nH]c(-c3cc(Br)ccc3F)[nH+]c2c1 ZINC000019484237 182125259 /nfs/dbraw/zinc/12/52/59/182125259.db2.gz LHTIIHARZXDOAZ-UHFFFAOYSA-N 1 2 306.138 3.714 10 0 DHAELO COc1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295914 183053011 /nfs/dbraw/zinc/05/30/11/183053011.db2.gz XNHLFFZXMKBSMW-UHFFFAOYSA-N 1 2 321.380 3.561 10 0 DHAELO Cc1cc2[nH+]c(CCCO)n(CCOc3ccccc3)c2cc1C ZINC000040311049 183053524 /nfs/dbraw/zinc/05/35/24/183053524.db2.gz JDGONUVDQCIOAF-UHFFFAOYSA-N 1 2 324.424 3.657 10 0 DHAELO Nc1c(Nc2ccc(F)cc2F)nc[nH+]c1NC1CCCCC1 ZINC000040708736 183120518 /nfs/dbraw/zinc/12/05/18/183120518.db2.gz SMJUCFLZDBRSBO-UHFFFAOYSA-N 1 2 319.359 3.825 10 0 DHAELO Nc1c(Nc2ccc(Cl)cc2Cl)nc[nH+]c1N1CCCC1 ZINC000040724410 183125165 /nfs/dbraw/zinc/12/51/65/183125165.db2.gz ILUGFULWLVPOAP-UHFFFAOYSA-N 1 2 324.215 3.709 10 0 DHAELO Brc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000042251416 183246781 /nfs/dbraw/zinc/24/67/81/183246781.db2.gz PJDSSVRAEPYRGL-LSDHHAIUSA-N 1 2 310.235 3.593 10 0 DHAELO Brc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000042251416 183246783 /nfs/dbraw/zinc/24/67/83/183246783.db2.gz PJDSSVRAEPYRGL-LSDHHAIUSA-N 1 2 310.235 3.593 10 0 DHAELO CCn1cc[nH+]c1CNc1cc(Br)ccc1Cl ZINC000061690938 184182814 /nfs/dbraw/zinc/18/28/14/184182814.db2.gz REAFZWRGECJLJQ-UHFFFAOYSA-N 1 2 314.614 3.931 10 0 DHAELO Clc1ncc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)s1 ZINC000275977686 257257422 /nfs/dbraw/zinc/25/74/22/257257422.db2.gz OAXUHEULLCUBAN-ZDUSSCGKSA-N 1 2 322.865 3.736 10 0 DHAELO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000036959706 331604970 /nfs/dbraw/zinc/60/49/70/331604970.db2.gz NTWBJRLCTPOQAJ-BDAKNGLRSA-N 1 2 321.223 3.698 10 0 DHAELO CCCn1c2ccccc2nc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091978903 332116282 /nfs/dbraw/zinc/11/62/82/332116282.db2.gz ZRDHNYREBDJMRO-ROUUACIJSA-N 1 2 313.445 3.590 10 0 DHAELO CCCn1c2ccccc2nc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091978903 332116283 /nfs/dbraw/zinc/11/62/83/332116283.db2.gz ZRDHNYREBDJMRO-ROUUACIJSA-N 1 2 313.445 3.590 10 0 DHAELO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180737635 333165011 /nfs/dbraw/zinc/16/50/11/333165011.db2.gz DIVOXGMUPHAITK-SECBINFHSA-N 1 2 311.740 3.710 10 0 DHAELO CC(C)(C)c1nc(CCNc2cc[nH+]c(C3CC3)n2)cs1 ZINC000123232637 334727764 /nfs/dbraw/zinc/72/77/64/334727764.db2.gz XUTDAYXDGHHVOH-UHFFFAOYSA-N 1 2 302.447 3.763 10 0 DHAELO C[C@@H]1CCCN(c2cc(NCc3cc4ccccc4[nH]3)[nH+]cn2)C1 ZINC000301250771 336296814 /nfs/dbraw/zinc/29/68/14/336296814.db2.gz PPWCWMVBAYIZRO-CQSZACIVSA-N 1 2 321.428 3.806 10 0 DHAELO C[C@@H]1CCCN(c2cc(NCc3cc4ccccc4[nH]3)nc[nH+]2)C1 ZINC000301250771 336296815 /nfs/dbraw/zinc/29/68/15/336296815.db2.gz PPWCWMVBAYIZRO-CQSZACIVSA-N 1 2 321.428 3.806 10 0 DHAELO COc1cccc(OCCNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000301511791 336311587 /nfs/dbraw/zinc/31/15/87/336311587.db2.gz KQWKKBOBOCCMAD-UHFFFAOYSA-N 1 2 312.291 3.600 10 0 DHAELO c1ccc(OC[C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000301853415 336334253 /nfs/dbraw/zinc/33/42/53/336334253.db2.gz CDLDBSJWKYGEMN-OAHLLOKOSA-N 1 2 307.397 3.858 10 0 DHAELO COc1cc(OC)cc([C@H]2CCN(c3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000301890991 336336476 /nfs/dbraw/zinc/33/64/76/336336476.db2.gz RDTJVHYEMOGJFR-ZDUSSCGKSA-N 1 2 323.396 3.574 10 0 DHAELO O[C@@H](C[C@@H]1CCCN1c1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000301897979 336336987 /nfs/dbraw/zinc/33/69/87/336336987.db2.gz WIIYGFPDYDVQJK-YJBOKZPZSA-N 1 2 307.397 3.655 10 0 DHAELO CC(C)(C)c1csc([C@@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)n1 ZINC000171735963 337089061 /nfs/dbraw/zinc/08/90/61/337089061.db2.gz YXWSXBCEWWTQML-KBPBESRZSA-N 1 2 306.475 3.923 10 0 DHAELO CC(C)(C)c1csc([C@@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)n1 ZINC000171735963 337089062 /nfs/dbraw/zinc/08/90/62/337089062.db2.gz YXWSXBCEWWTQML-KBPBESRZSA-N 1 2 306.475 3.923 10 0 DHAELO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1nnc2n1CCCC2 ZINC000173631246 337137012 /nfs/dbraw/zinc/13/70/12/337137012.db2.gz HZDRTVXUTPSWKW-RYUDHWBXSA-N 1 2 304.825 3.680 10 0 DHAELO C[C@H](NC(=O)c1ccc(Cl)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173912143 337137467 /nfs/dbraw/zinc/13/74/67/337137467.db2.gz PAXXPLQWSBEDBH-NSHDSACASA-N 1 2 315.760 3.610 10 0 DHAELO Cc1ccccc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173916048 337137584 /nfs/dbraw/zinc/13/75/84/337137584.db2.gz CZZAOUBGIMPXIM-HNNXBMFYSA-N 1 2 305.381 3.672 10 0 DHAELO C[C@@H](NC(=O)c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173922386 337137601 /nfs/dbraw/zinc/13/76/01/337137601.db2.gz CGAWTDGQJSIRRS-CYBMUJFWSA-N 1 2 309.344 3.502 10 0 DHAELO Fc1cccc(-c2cnc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)o2)c1 ZINC000175102249 337144602 /nfs/dbraw/zinc/14/46/02/337144602.db2.gz LAWGCHXVPJPZRX-HOTGVXAUSA-N 1 2 316.376 3.624 10 0 DHAELO Fc1cccc(-c2cnc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)o2)c1 ZINC000175102249 337144603 /nfs/dbraw/zinc/14/46/03/337144603.db2.gz LAWGCHXVPJPZRX-HOTGVXAUSA-N 1 2 316.376 3.624 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(F)cc(Br)c2)o1 ZINC000220916290 337167126 /nfs/dbraw/zinc/16/71/26/337167126.db2.gz FBCLJHHWGNDTTD-VIFPVBQESA-N 1 2 313.170 3.735 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Br)c(F)c2)o1 ZINC000220929112 337167087 /nfs/dbraw/zinc/16/70/87/337167087.db2.gz XUPSYUUHGSAJKS-SECBINFHSA-N 1 2 313.170 3.735 10 0 DHAELO Cc1cc(C[N@@H+]2CCO[C@H](c3nccs3)C2)ccc1Cl ZINC000180427758 337174507 /nfs/dbraw/zinc/17/45/07/337174507.db2.gz XVEJNRLCKGHQCO-AWEZNQCLSA-N 1 2 308.834 3.678 10 0 DHAELO Cc1cc(C[N@H+]2CCO[C@H](c3nccs3)C2)ccc1Cl ZINC000180427758 337174508 /nfs/dbraw/zinc/17/45/08/337174508.db2.gz XVEJNRLCKGHQCO-AWEZNQCLSA-N 1 2 308.834 3.678 10 0 DHAELO C[C@@H]1C[C@H](C(=O)N(C)c2ccc[nH+]c2N(C)C)CC(C)(C)C1 ZINC000180971502 337178880 /nfs/dbraw/zinc/17/88/80/337178880.db2.gz UYKWKGPSCSHFBB-KGLIPLIRSA-N 1 2 303.450 3.573 10 0 DHAELO C[C@@H]1C[C@@H](C(=O)N(C)c2ccc[nH+]c2N(C)C)CC(C)(C)C1 ZINC000180971543 337178897 /nfs/dbraw/zinc/17/88/97/337178897.db2.gz UYKWKGPSCSHFBB-ZIAGYGMSSA-N 1 2 303.450 3.573 10 0 DHAELO Cc1csc([C@@H]2CCCN(c3cc[nH+]c(C(C)C)n3)C2)n1 ZINC000110411052 337389111 /nfs/dbraw/zinc/38/91/11/337389111.db2.gz VWECEZAATDOTPE-CYBMUJFWSA-N 1 2 302.447 3.749 10 0 DHAELO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1F ZINC000130892718 337434989 /nfs/dbraw/zinc/43/49/89/337434989.db2.gz XXFKVMFKIINOHR-IAQYHMDHSA-N 1 2 320.387 3.695 10 0 DHAELO C[C@H]1C[N@H+](Cc2ccc(Br)cc2F)CCS1 ZINC000134344093 341213583 /nfs/dbraw/zinc/21/35/83/341213583.db2.gz CXIIOJVYKWXBCD-VIFPVBQESA-N 1 2 304.228 3.526 10 0 DHAELO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2F)CCS1 ZINC000134344093 341213584 /nfs/dbraw/zinc/21/35/84/341213584.db2.gz CXIIOJVYKWXBCD-VIFPVBQESA-N 1 2 304.228 3.526 10 0 DHAELO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000246657725 341355245 /nfs/dbraw/zinc/35/52/45/341355245.db2.gz KOIJMYIVJIYLKW-ZWNOBZJWSA-N 1 2 315.244 3.655 10 0 DHAELO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000246657725 341355246 /nfs/dbraw/zinc/35/52/46/341355246.db2.gz KOIJMYIVJIYLKW-ZWNOBZJWSA-N 1 2 315.244 3.655 10 0 DHAELO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000246657702 341355264 /nfs/dbraw/zinc/35/52/64/341355264.db2.gz KOIJMYIVJIYLKW-GXFFZTMASA-N 1 2 315.244 3.655 10 0 DHAELO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000246657702 341355265 /nfs/dbraw/zinc/35/52/65/341355265.db2.gz KOIJMYIVJIYLKW-GXFFZTMASA-N 1 2 315.244 3.655 10 0 DHAELO CCc1nc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000181400872 522352895 /nfs/dbraw/zinc/35/28/95/522352895.db2.gz CNCBUQPSCAUYPY-CYBMUJFWSA-N 1 2 303.406 3.518 10 0 DHAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CC)c1ccccc1F ZINC000180744571 522513843 /nfs/dbraw/zinc/51/38/43/522513843.db2.gz VSKZSWPCVDUGDR-CABCVRRESA-N 1 2 302.397 3.555 10 0 DHAELO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000181870353 523731376 /nfs/dbraw/zinc/73/13/76/523731376.db2.gz FSBPKWWSVLPIBX-WFASDCNBSA-N 1 2 310.401 3.772 10 0 DHAELO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000181870301 523732685 /nfs/dbraw/zinc/73/26/85/523732685.db2.gz FSBPKWWSVLPIBX-IUODEOHRSA-N 1 2 310.401 3.772 10 0 DHAELO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(Cl)cc1 ZINC000105607477 525486956 /nfs/dbraw/zinc/48/69/56/525486956.db2.gz NAJTZIKBEAOHIX-JTQLQIEISA-N 1 2 303.749 3.834 10 0 DHAELO C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000191630334 525558634 /nfs/dbraw/zinc/55/86/34/525558634.db2.gz AAHYZAYSEHQQSZ-SUMWQHHRSA-N 1 2 312.369 3.628 10 0 DHAELO Cc1cc[nH+]cc1NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000221745779 525762956 /nfs/dbraw/zinc/76/29/56/525762956.db2.gz JAFDBBJRXAVPCC-GOOCMWNKSA-N 1 2 317.433 3.732 10 0 DHAELO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000131429725 526406417 /nfs/dbraw/zinc/40/64/17/526406417.db2.gz BFFVCVJSGDDYFW-OLZOCXBDSA-N 1 2 303.406 3.825 10 0 DHAELO Cc1csc([C@@H]2C[N@H+](Cc3ccccc3Cl)CCO2)n1 ZINC000157077764 526423133 /nfs/dbraw/zinc/42/31/33/526423133.db2.gz CILSEYFLCYGDRB-AWEZNQCLSA-N 1 2 308.834 3.678 10 0 DHAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccccc3Cl)CCO2)n1 ZINC000157077764 526423136 /nfs/dbraw/zinc/42/31/36/526423136.db2.gz CILSEYFLCYGDRB-AWEZNQCLSA-N 1 2 308.834 3.678 10 0 DHAELO CCCOC(=O)c1ccc(-c2[nH]c3cc(C)c(N)cc3[nH+]2)cc1 ZINC000078400757 563512733 /nfs/dbraw/zinc/51/27/33/563512733.db2.gz QMFOGANLDVKLRU-UHFFFAOYSA-N 1 2 309.369 3.687 10 0 DHAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000090225117 185287755 /nfs/dbraw/zinc/28/77/55/185287755.db2.gz OLMPMMKINQOZCA-IUODEOHRSA-N 1 2 310.401 3.827 10 0 DHAELO C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000092831670 185344650 /nfs/dbraw/zinc/34/46/50/185344650.db2.gz IHODHOZTJHWUCV-SYCZXOQXSA-N 1 2 300.427 3.620 10 0 DHAELO C/C(=C/c1ccccc1)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000092831670 185344651 /nfs/dbraw/zinc/34/46/51/185344651.db2.gz IHODHOZTJHWUCV-SYCZXOQXSA-N 1 2 300.427 3.620 10 0 DHAELO CCn1c(CCCCCNC(=O)C(C)C)[nH+]c2ccccc21 ZINC000040211716 183045264 /nfs/dbraw/zinc/04/52/64/183045264.db2.gz AQBGPGPCLMWMLY-UHFFFAOYSA-N 1 2 301.434 3.541 10 0 DHAELO COc1cccc(NC(=O)Cn2c(C)[nH+]c3cc(C)c(C)cc32)c1 ZINC000040295550 183052833 /nfs/dbraw/zinc/05/28/33/183052833.db2.gz ZFCRGAUBPIHBDM-UHFFFAOYSA-N 1 2 323.396 3.609 10 0 DHAELO Cc1cc(C)cc(Nc2[nH+]cnc(N3CCCCCC3)c2N)c1 ZINC000040681805 183117083 /nfs/dbraw/zinc/11/70/83/183117083.db2.gz LQEZVMREMIPJAS-UHFFFAOYSA-N 1 2 311.433 3.800 10 0 DHAELO CC(C)Nc1[nH+]cnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040708201 183120455 /nfs/dbraw/zinc/12/04/55/183120455.db2.gz XGFYBXZAKHBTFU-UHFFFAOYSA-N 1 2 312.204 3.930 10 0 DHAELO Nc1c(Nc2cccc(Cl)c2Cl)nc[nH+]c1N1CCCC1 ZINC000040724355 183124904 /nfs/dbraw/zinc/12/49/04/183124904.db2.gz RFJQVGGKPAJHKF-UHFFFAOYSA-N 1 2 324.215 3.709 10 0 DHAELO CC[N@H+](CC(=O)c1ccc(Cl)cc1Cl)[C@@H](C)COC ZINC000042775016 183307957 /nfs/dbraw/zinc/30/79/57/183307957.db2.gz IGACYEINOKUHDH-JTQLQIEISA-N 1 2 304.217 3.533 10 0 DHAELO CC[N@@H+](CC(=O)c1ccc(Cl)cc1Cl)[C@@H](C)COC ZINC000042775016 183307958 /nfs/dbraw/zinc/30/79/58/183307958.db2.gz IGACYEINOKUHDH-JTQLQIEISA-N 1 2 304.217 3.533 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)c1ccc(F)cc1F)C2 ZINC000106372470 194201652 /nfs/dbraw/zinc/20/16/52/194201652.db2.gz RFVORISVVSCVLH-LBPRGKRZSA-N 1 2 319.399 3.941 10 0 DHAELO CCn1cc[nH+]c1C[S@@](=O)c1cc(C(C)(C)C)ccc1C ZINC000177291580 332981458 /nfs/dbraw/zinc/98/14/58/332981458.db2.gz UNUXSOADNDFCOM-OAQYLSRUSA-N 1 2 304.459 3.817 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H]1CCc3ccc(F)cc31)C2 ZINC000177714337 333131677 /nfs/dbraw/zinc/13/16/77/333131677.db2.gz OILODOOCQPYWHL-QGZVFWFLSA-N 1 2 313.420 3.728 10 0 DHAELO CC(C)c1nc2c(n1C)CC[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000177714337 333131678 /nfs/dbraw/zinc/13/16/78/333131678.db2.gz OILODOOCQPYWHL-QGZVFWFLSA-N 1 2 313.420 3.728 10 0 DHAELO CC(C)c1nc2c(n1C)CC[N@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000177714337 333131680 /nfs/dbraw/zinc/13/16/80/333131680.db2.gz OILODOOCQPYWHL-QGZVFWFLSA-N 1 2 313.420 3.728 10 0 DHAELO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180737615 333164970 /nfs/dbraw/zinc/16/49/70/333164970.db2.gz DIVOXGMUPHAITK-VIFPVBQESA-N 1 2 311.740 3.710 10 0 DHAELO C[C@@H]([NH2+]Cc1ccn(C)n1)c1c(Cl)ccc(F)c1Cl ZINC000112341715 334384098 /nfs/dbraw/zinc/38/40/98/334384098.db2.gz UHAGMEBTSOMSEL-MRVPVSSYSA-N 1 2 302.180 3.717 10 0 DHAELO CC1(C)CCCC[C@H]1c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329635718 336021026 /nfs/dbraw/zinc/02/10/26/336021026.db2.gz XZLOAIJQOYCRBK-QLFBSQMISA-N 1 2 319.449 3.679 10 0 DHAELO CC1(C)CCCC[C@H]1c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329635718 336021028 /nfs/dbraw/zinc/02/10/28/336021028.db2.gz XZLOAIJQOYCRBK-QLFBSQMISA-N 1 2 319.449 3.679 10 0 DHAELO Cc1ccc([C@@](C)(O)CNc2cc(C)[nH+]c3c(F)cccc23)o1 ZINC000301696892 336324202 /nfs/dbraw/zinc/32/42/02/336324202.db2.gz ZJSZCSMVTHVSND-SFHVURJKSA-N 1 2 314.360 3.903 10 0 DHAELO CO[C@@H]1CCC[C@H](Nc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000301775873 336329038 /nfs/dbraw/zinc/32/90/38/336329038.db2.gz LGQDCWFYNOEFTM-JKSUJKDBSA-N 1 2 312.417 3.525 10 0 DHAELO Cc1nc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C)c(C)[nH+]1 ZINC000301823123 336332331 /nfs/dbraw/zinc/33/23/31/336332331.db2.gz CGGGAZBWUBHHAU-MRXNPFEDSA-N 1 2 317.820 3.713 10 0 DHAELO Cc1cc(NC[C@H](O)c2ccc(Cl)c(F)c2)nc(C(C)C)[nH+]1 ZINC000301901259 336337342 /nfs/dbraw/zinc/33/73/42/336337342.db2.gz ZZNMANBWEXQRRW-AWEZNQCLSA-N 1 2 323.799 3.846 10 0 DHAELO Cc1ccc([C@@H](C)Nc2nc(N(C)C)nc(C(C)C)[nH+]2)cc1F ZINC000301924950 336338319 /nfs/dbraw/zinc/33/83/19/336338319.db2.gz GQLSNMSROWPAJD-GFCCVEGCSA-N 1 2 317.412 3.682 10 0 DHAELO Cc1ccc([C@@H](C)Nc2nc(C(C)C)[nH+]c(N(C)C)n2)cc1F ZINC000301924950 336338320 /nfs/dbraw/zinc/33/83/20/336338320.db2.gz GQLSNMSROWPAJD-GFCCVEGCSA-N 1 2 317.412 3.682 10 0 DHAELO Cc1nc(NC[C@H](O)c2ccc(Cl)s2)c2c([nH+]1)CCCC2 ZINC000302092212 336348081 /nfs/dbraw/zinc/34/80/81/336348081.db2.gz MPUMYLQQSGANDZ-LBPRGKRZSA-N 1 2 323.849 3.524 10 0 DHAELO Cc1cc(NC[C@@](C)(O)c2cccc(Cl)c2)nc(C(C)C)[nH+]1 ZINC000302159880 336351594 /nfs/dbraw/zinc/35/15/94/336351594.db2.gz GTHMKEDWNKGNAA-QGZVFWFLSA-N 1 2 319.836 3.881 10 0 DHAELO Cc1cncc(N2CCC[C@@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)n1 ZINC000302214017 336354210 /nfs/dbraw/zinc/35/42/10/336354210.db2.gz IDMQFXYKMOSQCH-MRXNPFEDSA-N 1 2 319.412 3.559 10 0 DHAELO Cc1cc(N(CCO)Cc2cccc(Cl)c2)nc(C(C)C)[nH+]1 ZINC000302726916 336366794 /nfs/dbraw/zinc/36/67/94/336366794.db2.gz OGXDAZOANGURCW-UHFFFAOYSA-N 1 2 319.836 3.561 10 0 DHAELO CCO[C@@H]1CCCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302888278 336373448 /nfs/dbraw/zinc/37/34/48/336373448.db2.gz MSKUFFODKHYTMM-CQSZACIVSA-N 1 2 305.466 3.903 10 0 DHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000122782693 337023905 /nfs/dbraw/zinc/02/39/05/337023905.db2.gz DTHJLXAQWJLUHZ-OAHLLOKOSA-N 1 2 323.362 3.791 10 0 DHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000122782693 337023906 /nfs/dbraw/zinc/02/39/06/337023906.db2.gz DTHJLXAQWJLUHZ-OAHLLOKOSA-N 1 2 323.362 3.791 10 0 DHAELO Cc1ccc(F)cc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173934749 337137603 /nfs/dbraw/zinc/13/76/03/337137603.db2.gz AJENLMRVMPCZMB-AWEZNQCLSA-N 1 2 323.371 3.811 10 0 DHAELO Cc1ccccc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173916064 337137619 /nfs/dbraw/zinc/13/76/19/337137619.db2.gz CZZAOUBGIMPXIM-OAHLLOKOSA-N 1 2 305.381 3.672 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Br)cc2F)o1 ZINC000220939453 337167105 /nfs/dbraw/zinc/16/71/05/337167105.db2.gz DXMCKVSAZSJRDG-SECBINFHSA-N 1 2 313.170 3.735 10 0 DHAELO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000180657054 337177154 /nfs/dbraw/zinc/17/71/54/337177154.db2.gz KDYGNXJUIZHJNJ-SWLSCSKDSA-N 1 2 302.397 3.555 10 0 DHAELO Cc1oncc1C[N@@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000181698240 337183718 /nfs/dbraw/zinc/18/37/18/337183718.db2.gz UBFXDYNOSMNPSS-MRXNPFEDSA-N 1 2 320.820 3.989 10 0 DHAELO Cc1oncc1C[N@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000181698240 337183719 /nfs/dbraw/zinc/18/37/19/337183719.db2.gz UBFXDYNOSMNPSS-MRXNPFEDSA-N 1 2 320.820 3.989 10 0 DHAELO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nnc(C2CC2)n1C ZINC000183535467 337192153 /nfs/dbraw/zinc/19/21/53/337192153.db2.gz NSRIRZYFYBCDLY-LBPRGKRZSA-N 1 2 310.401 3.598 10 0 DHAELO C[C@@H]1C[C@@H](C(=O)NCCCCNc2cccc[nH+]2)CC(C)(C)C1 ZINC000183662941 337194062 /nfs/dbraw/zinc/19/40/62/337194062.db2.gz PLTNCSGLMJKKLT-HZPDHXFCSA-N 1 2 317.477 3.852 10 0 DHAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3csc(C(C)(C)C)n3)C2)c1 ZINC000106221278 337387099 /nfs/dbraw/zinc/38/70/99/337387099.db2.gz BQOMXPIZUSQLJK-OAHLLOKOSA-N 1 2 318.490 3.783 10 0 DHAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3csc(C(C)(C)C)n3)C2)c1 ZINC000106221278 337387100 /nfs/dbraw/zinc/38/71/00/337387100.db2.gz BQOMXPIZUSQLJK-OAHLLOKOSA-N 1 2 318.490 3.783 10 0 DHAELO Cc1csc([C@H]2CCCN(C(=O)Nc3cc[nH+]cc3C)C2)n1 ZINC000121859353 337396607 /nfs/dbraw/zinc/39/66/07/337396607.db2.gz OCHXIGLEJMUEKK-ZDUSSCGKSA-N 1 2 316.430 3.566 10 0 DHAELO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1nnc2n1CCCC2 ZINC000130889946 337434922 /nfs/dbraw/zinc/43/49/22/337434922.db2.gz ILVBZMDTZDNYDY-QWRGUYRKSA-N 1 2 322.815 3.819 10 0 DHAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1Cl ZINC000088559537 337862385 /nfs/dbraw/zinc/86/23/85/337862385.db2.gz ANVIGCKMODUYOX-FZMZJTMJSA-N 1 2 304.825 3.680 10 0 DHAELO CCn1cc[nH+]c1C[S@@](=O)Cc1cc(Cl)ccc1Cl ZINC000083036589 337992658 /nfs/dbraw/zinc/99/26/58/337992658.db2.gz MLPIEWMFVJMENZ-LJQANCHMSA-N 1 2 317.241 3.659 10 0 DHAELO CCn1cc[nH+]c1C[S@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC000083045980 337992680 /nfs/dbraw/zinc/99/26/80/337992680.db2.gz DRYIXUJWLTYKAZ-IBGZPJMESA-N 1 2 317.241 3.659 10 0 DHAELO CCc1ccccc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000154072382 338236636 /nfs/dbraw/zinc/23/66/36/338236636.db2.gz XGYLVSBUTRVWAC-OAHLLOKOSA-N 1 2 319.408 3.926 10 0 DHAELO COCCOc1ccc(SCc2[nH+]ccn2C(C)C)cc1 ZINC000185058425 340497635 /nfs/dbraw/zinc/49/76/35/340497635.db2.gz PKYUDUNHNVVQCJ-UHFFFAOYSA-N 1 2 306.431 3.782 10 0 DHAELO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)ccc1F ZINC000247273050 341362972 /nfs/dbraw/zinc/36/29/72/341362972.db2.gz YDSJLVSISCANCU-KDOFPFPSSA-N 1 2 321.342 3.720 10 0 DHAELO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)ccc1F ZINC000247273050 341362973 /nfs/dbraw/zinc/36/29/73/341362973.db2.gz YDSJLVSISCANCU-KDOFPFPSSA-N 1 2 321.342 3.720 10 0 DHAELO CC[C@H]1CC[C@H](C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000249456020 341397791 /nfs/dbraw/zinc/39/77/91/341397791.db2.gz DOHSDKGLTWRAIK-SHTZXODSSA-N 1 2 317.477 3.645 10 0 DHAELO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1nc(C(C)(C)C)no1 ZINC000174660409 341830397 /nfs/dbraw/zinc/83/03/97/341830397.db2.gz OKCJEYXLBLVTKW-GFCCVEGCSA-N 1 2 310.401 3.766 10 0 DHAELO CCCCc1nc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cs1 ZINC000106219902 521299105 /nfs/dbraw/zinc/29/91/05/521299105.db2.gz KLHAYHUVUWVQAE-INIZCTEOSA-N 1 2 318.490 3.828 10 0 DHAELO CCCCc1nc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)cs1 ZINC000106219902 521299114 /nfs/dbraw/zinc/29/91/14/521299114.db2.gz KLHAYHUVUWVQAE-INIZCTEOSA-N 1 2 318.490 3.828 10 0 DHAELO CCCn1c(C)nnc1C[N@@H+]1CCCC[C@@H]1c1ccc(CC)o1 ZINC000159299556 521622879 /nfs/dbraw/zinc/62/28/79/521622879.db2.gz UCYPPMRHQHJJAX-MRXNPFEDSA-N 1 2 316.449 3.879 10 0 DHAELO CCCn1c(C)nnc1C[N@H+]1CCCC[C@@H]1c1ccc(CC)o1 ZINC000159299556 521622884 /nfs/dbraw/zinc/62/28/84/521622884.db2.gz UCYPPMRHQHJJAX-MRXNPFEDSA-N 1 2 316.449 3.879 10 0 DHAELO CCc1nc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127750754 522309018 /nfs/dbraw/zinc/30/90/18/522309018.db2.gz UKTPKXLAFXHTLJ-LBPRGKRZSA-N 1 2 320.462 3.592 10 0 DHAELO CCc1nc(C[N@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127750754 522309024 /nfs/dbraw/zinc/30/90/24/522309024.db2.gz UKTPKXLAFXHTLJ-LBPRGKRZSA-N 1 2 320.462 3.592 10 0 DHAELO CCn1c(C)nnc1C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000180259476 523156085 /nfs/dbraw/zinc/15/60/85/523156085.db2.gz MQCBZDRIKZEZCT-INIZCTEOSA-N 1 2 324.831 3.886 10 0 DHAELO Cc1ccc(F)cc1C[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000180159942 524853571 /nfs/dbraw/zinc/85/35/71/524853571.db2.gz KBLNSRUQLVUOLU-UHFFFAOYSA-N 1 2 315.392 3.954 10 0 DHAELO Cc1ccccc1Cc1noc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000182552290 525207670 /nfs/dbraw/zinc/20/76/70/525207670.db2.gz YTDVGJUPFNLBHL-ZDUSSCGKSA-N 1 2 313.426 3.881 10 0 DHAELO C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000190786200 525556835 /nfs/dbraw/zinc/55/68/35/525556835.db2.gz YLUWZDFELILMPT-GUYCJALGSA-N 1 2 312.369 3.628 10 0 DHAELO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1nc(C2CC2)no1 ZINC000180661911 525663198 /nfs/dbraw/zinc/66/31/98/525663198.db2.gz NHVKPGQVJIFFAT-CHWSQXEVSA-N 1 2 323.400 3.545 10 0 DHAELO c1nnc([C@@H]2CCCC[N@H+]2CCCSCc2ccccc2)[nH]1 ZINC000182735584 526603597 /nfs/dbraw/zinc/60/35/97/526603597.db2.gz JZZBGERZNTVFMU-INIZCTEOSA-N 1 2 316.474 3.655 10 0 DHAELO c1nnc([C@@H]2CCCC[N@@H+]2CCCSCc2ccccc2)[nH]1 ZINC000182735584 526603599 /nfs/dbraw/zinc/60/35/99/526603599.db2.gz JZZBGERZNTVFMU-INIZCTEOSA-N 1 2 316.474 3.655 10 0 DHAELO c1nc([C@@H]2CCCC[N@H+]2CCCSCc2ccccc2)n[nH]1 ZINC000182735584 526603604 /nfs/dbraw/zinc/60/36/04/526603604.db2.gz JZZBGERZNTVFMU-INIZCTEOSA-N 1 2 316.474 3.655 10 0 DHAELO c1nc([C@@H]2CCCC[N@@H+]2CCCSCc2ccccc2)n[nH]1 ZINC000182735584 526603611 /nfs/dbraw/zinc/60/36/11/526603611.db2.gz JZZBGERZNTVFMU-INIZCTEOSA-N 1 2 316.474 3.655 10 0 DHAELO Cc1oc2ccccc2c1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000129275194 526785663 /nfs/dbraw/zinc/78/56/63/526785663.db2.gz KFNOFHUJFJJYRH-MRXNPFEDSA-N 1 2 314.410 3.771 10 0 DHAELO Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000129275194 526785668 /nfs/dbraw/zinc/78/56/68/526785668.db2.gz KFNOFHUJFJJYRH-MRXNPFEDSA-N 1 2 314.410 3.771 10 0 DHAELO CCc1ccc(C(=O)Nc2cc(N)ccc2[NH+](CC)CC)cc1 ZINC000226260622 563913235 /nfs/dbraw/zinc/91/32/35/563913235.db2.gz FRFFKYYGIIBFKB-UHFFFAOYSA-N 1 2 311.429 3.930 10 0 DHAELO CCCCc1nc(Cl)c(C[NH2+][C@H]2COc3ccccc32)[nH]1 ZINC000088399304 185248327 /nfs/dbraw/zinc/24/83/27/185248327.db2.gz SUXYUNJZQJBTBA-ZDUSSCGKSA-N 1 2 305.809 3.629 10 0 DHAELO CCCCc1nc(Cl)c(C[NH2+]Cc2ccccc2OC)[nH]1 ZINC000088398652 185248561 /nfs/dbraw/zinc/24/85/61/185248561.db2.gz NINYEMNGIJHREM-UHFFFAOYSA-N 1 2 307.825 3.704 10 0 DHAELO C[C@@H](NC(=O)NC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634584 192175502 /nfs/dbraw/zinc/17/55/02/192175502.db2.gz ZEGGSPQMJDKBMU-CQSZACIVSA-N 1 2 312.417 3.565 10 0 DHAELO Cc1cc2[nH+]cn(-c3ccc(Br)cc3N)c2cc1C ZINC000019434243 182123250 /nfs/dbraw/zinc/12/32/50/182123250.db2.gz JHWFAAJUUMTIBR-UHFFFAOYSA-N 1 2 316.202 3.987 10 0 DHAELO Cc1ccccc1Cn1c2cc(C)c(C)cc2[nH+]c1CCCO ZINC000040310949 183053437 /nfs/dbraw/zinc/05/34/37/183053437.db2.gz BUTXNCKFZRHOTN-UHFFFAOYSA-N 1 2 308.425 3.935 10 0 DHAELO CC(C)(C)Nc1[nH+]cnc(Nc2cccc3ncccc32)c1N ZINC000040680669 183117191 /nfs/dbraw/zinc/11/71/91/183117191.db2.gz KVMFOGNLULQIJI-UHFFFAOYSA-N 1 2 308.389 3.561 10 0 DHAELO CC(C)(C)Nc1nc[nH+]c(Nc2cccc3ncccc32)c1N ZINC000040680669 183117194 /nfs/dbraw/zinc/11/71/94/183117194.db2.gz KVMFOGNLULQIJI-UHFFFAOYSA-N 1 2 308.389 3.561 10 0 DHAELO CC(C)Nc1[nH+]cnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701704 183119835 /nfs/dbraw/zinc/11/98/35/183119835.db2.gz GGOKOHDWBRYCTJ-UHFFFAOYSA-N 1 2 311.311 3.642 10 0 DHAELO CC(C)CN(CC(C)C)c1[nH+]cnc(NC2CCCCC2)c1N ZINC000040708463 183120752 /nfs/dbraw/zinc/12/07/52/183120752.db2.gz VZIOMWFRQRCIBC-UHFFFAOYSA-N 1 2 319.497 3.922 10 0 DHAELO CC(C)Nc1nc[nH+]c(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040708175 183120991 /nfs/dbraw/zinc/12/09/91/183120991.db2.gz NTHIHOZXMWKGTL-UHFFFAOYSA-N 1 2 311.311 3.642 10 0 DHAELO CC(C)Nc1[nH+]cnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040708175 183120994 /nfs/dbraw/zinc/12/09/94/183120994.db2.gz NTHIHOZXMWKGTL-UHFFFAOYSA-N 1 2 311.311 3.642 10 0 DHAELO CN(C)C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000119949492 132138539 /nfs/dbraw/zinc/13/85/39/132138539.db2.gz UDUXJTTYOKVGRB-QGZVFWFLSA-N 1 2 306.812 3.872 10 0 DHAELO CCOc1ccc(C(C)=O)cc1CSCc1[nH+]ccn1CC ZINC000175273466 332884561 /nfs/dbraw/zinc/88/45/61/332884561.db2.gz DOEYZOODFNZLFR-UHFFFAOYSA-N 1 2 318.442 3.938 10 0 DHAELO Cc1cc2occ(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c2cc1C ZINC000186036586 333216755 /nfs/dbraw/zinc/21/67/55/333216755.db2.gz PEAGPINXUYNGQR-OAHLLOKOSA-N 1 2 323.396 3.551 10 0 DHAELO CC[S@](=O)[C@@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301575165 336316057 /nfs/dbraw/zinc/31/60/57/336316057.db2.gz SISFYYQPDPJVOU-DCVWQXJKSA-N 1 2 320.380 3.592 10 0 DHAELO CC(C)(C)c1cc(NC2CCC(O)CC2)nc(C(C)(C)C)[nH+]1 ZINC000301646182 336320450 /nfs/dbraw/zinc/32/04/50/336320450.db2.gz DFMOKJVIWWTCOV-UHFFFAOYSA-N 1 2 305.466 3.787 10 0 DHAELO CCCc1nnc(NCCNc2ccc3ccccc3[nH+]2)s1 ZINC000301671237 336322416 /nfs/dbraw/zinc/32/24/16/336322416.db2.gz OHIXHQYRTJXUGP-UHFFFAOYSA-N 1 2 313.430 3.563 10 0 DHAELO O[C@H](C[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000301897976 336336934 /nfs/dbraw/zinc/33/69/34/336336934.db2.gz WIIYGFPDYDVQJK-CRAIPNDOSA-N 1 2 307.397 3.655 10 0 DHAELO Cc1ccc([C@H]2CN(c3[nH]c4ccccc4[nH+]3)CCO2)c(C)c1 ZINC000301899403 336337042 /nfs/dbraw/zinc/33/70/42/336337042.db2.gz XYTZLSDWARDCJY-GOSISDBHSA-N 1 2 307.397 3.758 10 0 DHAELO Cc1cc(N[C@H]2CCc3cc(Br)ccc32)nc[nH+]1 ZINC000110270155 336396243 /nfs/dbraw/zinc/39/62/43/336396243.db2.gz ARCRGULUGUBNOW-ZDUSSCGKSA-N 1 2 304.191 3.647 10 0 DHAELO Cc1nnc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1C1CC1 ZINC000120965503 336926198 /nfs/dbraw/zinc/92/61/98/336926198.db2.gz QEDVBNZJCCFFTR-SECBINFHSA-N 1 2 308.788 3.565 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1coc3ccccc13)C2 ZINC000123296123 337042267 /nfs/dbraw/zinc/04/22/67/337042267.db2.gz AOGFJMPYHWJTKX-UHFFFAOYSA-N 1 2 309.413 3.848 10 0 DHAELO CC(C)c1nc2c(n1C)CC[N@H+](Cc1coc3ccccc13)C2 ZINC000123296123 337042268 /nfs/dbraw/zinc/04/22/68/337042268.db2.gz AOGFJMPYHWJTKX-UHFFFAOYSA-N 1 2 309.413 3.848 10 0 DHAELO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1coc3ccccc13)C2 ZINC000123296123 337042269 /nfs/dbraw/zinc/04/22/69/337042269.db2.gz AOGFJMPYHWJTKX-UHFFFAOYSA-N 1 2 309.413 3.848 10 0 DHAELO CSCCC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000173601149 337136703 /nfs/dbraw/zinc/13/67/03/337136703.db2.gz UNTMCANPPMHDMG-LBPRGKRZSA-N 1 2 314.520 3.567 10 0 DHAELO CSCCC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000173601149 337136704 /nfs/dbraw/zinc/13/67/04/337136704.db2.gz UNTMCANPPMHDMG-LBPRGKRZSA-N 1 2 314.520 3.567 10 0 DHAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2N(C)C)no1 ZINC000173601678 337136775 /nfs/dbraw/zinc/13/67/75/337136775.db2.gz LIUMNLAYYAAMFZ-INIZCTEOSA-N 1 2 314.433 3.596 10 0 DHAELO CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2ccccc2N(C)C)no1 ZINC000173601678 337136776 /nfs/dbraw/zinc/13/67/76/337136776.db2.gz LIUMNLAYYAAMFZ-INIZCTEOSA-N 1 2 314.433 3.596 10 0 DHAELO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2nnc(CC)n2C)o1 ZINC000174447387 337142090 /nfs/dbraw/zinc/14/20/90/337142090.db2.gz KDGQPDOWEMUJNB-ZFWWWQNUSA-N 1 2 316.449 3.506 10 0 DHAELO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2nnc(CC)n2C)o1 ZINC000174447387 337142091 /nfs/dbraw/zinc/14/20/91/337142091.db2.gz KDGQPDOWEMUJNB-ZFWWWQNUSA-N 1 2 316.449 3.506 10 0 DHAELO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000182931444 337190785 /nfs/dbraw/zinc/19/07/85/337190785.db2.gz MKAODLILIXWWBB-PBHICJAKSA-N 1 2 308.381 3.726 10 0 DHAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ncc(C(C)C)s3)C2)c1 ZINC000183060970 337191170 /nfs/dbraw/zinc/19/11/70/337191170.db2.gz KJQCSIHXUGILGP-CQSZACIVSA-N 1 2 304.463 3.609 10 0 DHAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3ncc(C(C)C)s3)C2)c1 ZINC000183060970 337191171 /nfs/dbraw/zinc/19/11/71/337191171.db2.gz KJQCSIHXUGILGP-CQSZACIVSA-N 1 2 304.463 3.609 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)C2 ZINC000183776113 337193453 /nfs/dbraw/zinc/19/34/53/337193453.db2.gz UYTWDDYMNZQEQA-KBPBESRZSA-N 1 2 317.477 3.501 10 0 DHAELO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nnc(C(C)C)n1C ZINC000183582532 337193637 /nfs/dbraw/zinc/19/36/37/337193637.db2.gz QYSFLVPEZJYANW-ZDUSSCGKSA-N 1 2 312.417 3.844 10 0 DHAELO CC(C)n1cc[nH+]c1C[S@](=O)Cc1ccc(C(F)F)cc1 ZINC000185530252 337248892 /nfs/dbraw/zinc/24/88/92/337248892.db2.gz IJWNLTBNFXSZOE-OAQYLSRUSA-N 1 2 312.385 3.851 10 0 DHAELO Fc1ccc([C@@H](N[C@@H]2CCOc3ccccc32)c2[nH]cc[nH+]2)cc1 ZINC000187697742 337269185 /nfs/dbraw/zinc/26/91/85/337269185.db2.gz QRPFHXKZSLOVJL-SJLPKXTDSA-N 1 2 323.371 3.752 10 0 DHAELO Fc1ccc([C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2ncc[nH]2)cc1 ZINC000187697742 337269186 /nfs/dbraw/zinc/26/91/86/337269186.db2.gz QRPFHXKZSLOVJL-SJLPKXTDSA-N 1 2 323.371 3.752 10 0 DHAELO COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000192105724 337302924 /nfs/dbraw/zinc/30/29/24/337302924.db2.gz RLELXUOPIOYRCJ-MRXNPFEDSA-N 1 2 305.809 3.799 10 0 DHAELO COc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000192105724 337302925 /nfs/dbraw/zinc/30/29/25/337302925.db2.gz RLELXUOPIOYRCJ-MRXNPFEDSA-N 1 2 305.809 3.799 10 0 DHAELO COc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000192105730 337302974 /nfs/dbraw/zinc/30/29/74/337302974.db2.gz RLELXUOPIOYRCJ-INIZCTEOSA-N 1 2 305.809 3.799 10 0 DHAELO COc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000192105730 337302975 /nfs/dbraw/zinc/30/29/75/337302975.db2.gz RLELXUOPIOYRCJ-INIZCTEOSA-N 1 2 305.809 3.799 10 0 DHAELO C[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccc(F)c(F)c1 ZINC000112537277 337390557 /nfs/dbraw/zinc/39/05/57/337390557.db2.gz QYZRKCULQDMDJM-SECBINFHSA-N 1 2 321.352 3.927 10 0 DHAELO CCn1cc[nH+]c1CNc1cc(F)c(Br)cc1F ZINC000152750002 338211162 /nfs/dbraw/zinc/21/11/62/338211162.db2.gz PFDSQKRUTFSKJU-UHFFFAOYSA-N 1 2 316.149 3.556 10 0 DHAELO C[C@H](NC(=O)Nc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174173819 340383572 /nfs/dbraw/zinc/38/35/72/340383572.db2.gz XFPHSDJUKMXCOE-ZDUSSCGKSA-N 1 2 324.359 3.894 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc(Cl)ccc1F)C2 ZINC000123333656 340740508 /nfs/dbraw/zinc/74/05/08/340740508.db2.gz NKRMSKFQRRCWNN-UHFFFAOYSA-N 1 2 321.827 3.894 10 0 DHAELO Cc1ccc(-c2ncc(C[NH+]3C[C@H](C)O[C@@H](C)C3)s2)cc1 ZINC000127015535 340841199 /nfs/dbraw/zinc/84/11/99/340841199.db2.gz UVDAATPNEVWYFG-KBPBESRZSA-N 1 2 302.443 3.728 10 0 DHAELO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246001218 341321542 /nfs/dbraw/zinc/32/15/42/341321542.db2.gz RUBQIGZOPPRAMW-YJBOKZPZSA-N 1 2 321.342 3.720 10 0 DHAELO Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246001218 341321543 /nfs/dbraw/zinc/32/15/43/341321543.db2.gz RUBQIGZOPPRAMW-YJBOKZPZSA-N 1 2 321.342 3.720 10 0 DHAELO CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000249372843 341396763 /nfs/dbraw/zinc/39/67/63/341396763.db2.gz NQTKUFMSKOMFLQ-HUUCEWRRSA-N 1 2 318.244 3.528 10 0 DHAELO CC[C@@](C)(O)C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000249372843 341396764 /nfs/dbraw/zinc/39/67/64/341396764.db2.gz NQTKUFMSKOMFLQ-HUUCEWRRSA-N 1 2 318.244 3.528 10 0 DHAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CC)c1ccccc1F ZINC000180744527 522514486 /nfs/dbraw/zinc/51/44/86/522514486.db2.gz VSKZSWPCVDUGDR-GJZGRUSLSA-N 1 2 302.397 3.555 10 0 DHAELO CCc1nnc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)n1C ZINC000181620805 522748608 /nfs/dbraw/zinc/74/86/08/522748608.db2.gz PEFRMLMNBWSQGU-MRXNPFEDSA-N 1 2 322.403 3.533 10 0 DHAELO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000183007332 523269161 /nfs/dbraw/zinc/26/91/61/523269161.db2.gz DTVWAWUGIYGZMP-UONOGXRCSA-N 1 2 317.433 3.826 10 0 DHAELO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000182608156 523923372 /nfs/dbraw/zinc/92/33/72/523923372.db2.gz BVKMVYQCIKBPIF-QWHCGFSZSA-N 1 2 317.433 3.925 10 0 DHAELO Cc1cccc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)[nH+]1 ZINC000157707491 524541789 /nfs/dbraw/zinc/54/17/89/524541789.db2.gz UTUUGVLCPDVOGD-UHFFFAOYSA-N 1 2 310.323 3.516 10 0 DHAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3F)no2)o1 ZINC000189190003 525931299 /nfs/dbraw/zinc/93/12/99/525931299.db2.gz DEMYVGXBPICHRN-NSHDSACASA-N 1 2 301.321 3.628 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccco3)no2)o1 ZINC000124768989 525995640 /nfs/dbraw/zinc/99/56/40/525995640.db2.gz AOVDHOMQGLVSAN-CYBMUJFWSA-N 1 2 313.357 3.958 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2nc(-c3ccco3)no2)o1 ZINC000124768989 525995653 /nfs/dbraw/zinc/99/56/53/525995653.db2.gz AOVDHOMQGLVSAN-CYBMUJFWSA-N 1 2 313.357 3.958 10 0 DHAELO Cc1cncc([C@@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000184405615 526213303 /nfs/dbraw/zinc/21/33/03/526213303.db2.gz PLKZZOHVBMHJAS-IUODEOHRSA-N 1 2 300.406 3.698 10 0 DHAELO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000131429318 526405337 /nfs/dbraw/zinc/40/53/37/526405337.db2.gz BFFVCVJSGDDYFW-STQMWFEESA-N 1 2 303.406 3.825 10 0 DHAELO c1cc(C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)[nH]n1 ZINC000108362743 526418688 /nfs/dbraw/zinc/41/86/88/526418688.db2.gz YOELKPGCHCNMIX-UHFFFAOYSA-N 1 2 314.414 3.506 10 0 DHAELO c1csc([C@H]2CCCC[N@H+]2Cc2cccc3c2OCO3)n1 ZINC000127652191 526588677 /nfs/dbraw/zinc/58/86/77/526588677.db2.gz WWFMKVBXIGLPQT-CYBMUJFWSA-N 1 2 302.399 3.599 10 0 DHAELO c1csc([C@H]2CCCC[N@@H+]2Cc2cccc3c2OCO3)n1 ZINC000127652191 526588683 /nfs/dbraw/zinc/58/86/83/526588683.db2.gz WWFMKVBXIGLPQT-CYBMUJFWSA-N 1 2 302.399 3.599 10 0 DHAELO Cc1nc([C@@H]2[NH2+]CCc3sccc32)sc1Br ZINC000719294980 563477680 /nfs/dbraw/zinc/47/76/80/563477680.db2.gz WVOYREPHWUCKKH-SECBINFHSA-N 1 2 315.261 3.511 10 0 DHAELO C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3Cl)o2)CCS1 ZINC000075715303 1030683164 /nfs/dbraw/zinc/68/31/64/1030683164.db2.gz NIFNCTUKRRIPEB-NSHDSACASA-N 1 2 308.834 3.932 10 0 DHAELO C[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)CCS1 ZINC000075715303 1030683169 /nfs/dbraw/zinc/68/31/69/1030683169.db2.gz NIFNCTUKRRIPEB-NSHDSACASA-N 1 2 308.834 3.932 10 0 DHAELO CCCCc1nc(Cl)c(C[NH2+][C@@H]2COc3ccccc32)[nH]1 ZINC000088399303 185248603 /nfs/dbraw/zinc/24/86/03/185248603.db2.gz SUXYUNJZQJBTBA-CYBMUJFWSA-N 1 2 305.809 3.629 10 0 DHAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000090226118 185287638 /nfs/dbraw/zinc/28/76/38/185287638.db2.gz NKDMROPXYJQAJW-YMTOWFKASA-N 1 2 308.788 3.565 10 0 DHAELO C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831669 185344607 /nfs/dbraw/zinc/34/46/07/185344607.db2.gz IHODHOZTJHWUCV-QBOMHBFWSA-N 1 2 300.427 3.620 10 0 DHAELO C/C(=C/c1ccccc1)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831669 185344608 /nfs/dbraw/zinc/34/46/08/185344608.db2.gz IHODHOZTJHWUCV-QBOMHBFWSA-N 1 2 300.427 3.620 10 0 DHAELO CCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000190517356 334942168 /nfs/dbraw/zinc/94/21/68/334942168.db2.gz ICEDDVWEZFAFIY-AWEZNQCLSA-N 1 2 314.433 3.669 10 0 DHAELO Brc1ccc(C[NH2+]Cc2nc3ccccc3s2)o1 ZINC000020136038 182190780 /nfs/dbraw/zinc/19/07/80/182190780.db2.gz RBAZAKDXTFKCLW-UHFFFAOYSA-N 1 2 323.215 3.942 10 0 DHAELO Cc1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295908 183052916 /nfs/dbraw/zinc/05/29/16/183052916.db2.gz KNGNMDFIDWDHOT-UHFFFAOYSA-N 1 2 305.381 3.861 10 0 DHAELO CC(C)Nc1nc[nH+]c(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040708320 183121421 /nfs/dbraw/zinc/12/14/21/183121421.db2.gz FOLBIMXVBFDNLM-UHFFFAOYSA-N 1 2 311.311 3.642 10 0 DHAELO CC(C)Nc1[nH+]cnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040708320 183121423 /nfs/dbraw/zinc/12/14/23/183121423.db2.gz FOLBIMXVBFDNLM-UHFFFAOYSA-N 1 2 311.311 3.642 10 0 DHAELO Cc1ccc(CNc2[nH+]cnc(Nc3ccccc3F)c2N)cc1 ZINC000040759196 183130318 /nfs/dbraw/zinc/13/03/18/183130318.db2.gz RNCUUHAAZWAJJI-UHFFFAOYSA-N 1 2 323.375 3.862 10 0 DHAELO CC[N@H+](CC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)COC ZINC000042774813 183307568 /nfs/dbraw/zinc/30/75/68/183307568.db2.gz BLJDQDACPUQYOP-SNVBAGLBSA-N 1 2 304.217 3.533 10 0 DHAELO CC[N@@H+](CC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)COC ZINC000042774813 183307570 /nfs/dbraw/zinc/30/75/70/183307570.db2.gz BLJDQDACPUQYOP-SNVBAGLBSA-N 1 2 304.217 3.533 10 0 DHAELO C[NH+](C)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000061897179 184193804 /nfs/dbraw/zinc/19/38/04/184193804.db2.gz SRPQNSLWTLJDHA-UHFFFAOYSA-N 1 2 310.810 3.502 10 0 DHAELO COc1ccc([C@@H](C)Nc2[nH+]c3ccccc3n2C)cc1OC ZINC000172156425 332817949 /nfs/dbraw/zinc/81/79/49/332817949.db2.gz SBFOUAYRKPRIKK-GFCCVEGCSA-N 1 2 311.385 3.764 10 0 DHAELO CC[C@@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1nccn1C ZINC000183031655 333182444 /nfs/dbraw/zinc/18/24/44/333182444.db2.gz ODFSRSGNOKLGIH-CQSZACIVSA-N 1 2 315.808 3.822 10 0 DHAELO CC[C@@H](CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)C(C)C ZINC000112665792 334720818 /nfs/dbraw/zinc/72/08/18/334720818.db2.gz KBAAIIGOXKVUBM-AWEZNQCLSA-N 1 2 305.466 3.501 10 0 DHAELO Cc1ccsc1CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000301225042 336295563 /nfs/dbraw/zinc/29/55/63/336295563.db2.gz CZASDDKNNGJDPV-LBPRGKRZSA-N 1 2 302.447 3.695 10 0 DHAELO Cc1ccsc1CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000301225042 336295564 /nfs/dbraw/zinc/29/55/64/336295564.db2.gz CZASDDKNNGJDPV-LBPRGKRZSA-N 1 2 302.447 3.695 10 0 DHAELO CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000301519209 336312004 /nfs/dbraw/zinc/31/20/04/336312004.db2.gz CQRTVSCUNWICNM-ZSDSOXJFSA-N 1 2 302.443 3.727 10 0 DHAELO Cc1cc(NC[C@@H](O)c2ccc(Cl)c(F)c2)nc(C(C)C)[nH+]1 ZINC000301901260 336337378 /nfs/dbraw/zinc/33/73/78/336337378.db2.gz ZZNMANBWEXQRRW-CQSZACIVSA-N 1 2 323.799 3.846 10 0 DHAELO Cc1csc([C@@H]2C[N@H+](Cc3ccc(C)c(Cl)c3)CCO2)n1 ZINC000193847660 337079569 /nfs/dbraw/zinc/07/95/69/337079569.db2.gz GLNSSWGWCKMDCC-HNNXBMFYSA-N 1 2 322.861 3.987 10 0 DHAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccc(C)c(Cl)c3)CCO2)n1 ZINC000193847660 337079570 /nfs/dbraw/zinc/07/95/70/337079570.db2.gz GLNSSWGWCKMDCC-HNNXBMFYSA-N 1 2 322.861 3.987 10 0 DHAELO c1coc([C@H]2CCC[N@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000172026961 337090997 /nfs/dbraw/zinc/09/09/97/337090997.db2.gz ZPBMATFXCAAERC-LLVKDONJSA-N 1 2 301.371 3.728 10 0 DHAELO c1coc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000172026961 337090998 /nfs/dbraw/zinc/09/09/98/337090998.db2.gz ZPBMATFXCAAERC-LLVKDONJSA-N 1 2 301.371 3.728 10 0 DHAELO CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc3[nH+]ccn3c2)o1 ZINC000172669396 337129378 /nfs/dbraw/zinc/12/93/78/337129378.db2.gz VGPOFQGILLWBLP-INIZCTEOSA-N 1 2 323.396 3.857 10 0 DHAELO C[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173937950 337137672 /nfs/dbraw/zinc/13/76/72/337137672.db2.gz NRJDOUTVFMPMAV-HLLBOEOZSA-N 1 2 311.429 3.876 10 0 DHAELO Fc1cccc(-c2cnc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000175102274 337144480 /nfs/dbraw/zinc/14/44/80/337144480.db2.gz LAWGCHXVPJPZRX-JKSUJKDBSA-N 1 2 316.376 3.624 10 0 DHAELO Fc1cccc(-c2cnc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000175102274 337144481 /nfs/dbraw/zinc/14/44/81/337144481.db2.gz LAWGCHXVPJPZRX-JKSUJKDBSA-N 1 2 316.376 3.624 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1nnc2n1CCCC2 ZINC000178077081 337160349 /nfs/dbraw/zinc/16/03/49/337160349.db2.gz OXKBGWWRTZJSPU-UONOGXRCSA-N 1 2 321.428 3.574 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(F)c(Br)c2)o1 ZINC000220925044 337167164 /nfs/dbraw/zinc/16/71/64/337167164.db2.gz HAILQCWFKLNRDG-SECBINFHSA-N 1 2 313.170 3.735 10 0 DHAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2ncnn2CC(C)C)o1 ZINC000182808628 337188301 /nfs/dbraw/zinc/18/83/01/337188301.db2.gz PSXNXJYALCJFAV-MRXNPFEDSA-N 1 2 316.449 3.817 10 0 DHAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2ncnn2CC(C)C)o1 ZINC000182808628 337188302 /nfs/dbraw/zinc/18/83/02/337188302.db2.gz PSXNXJYALCJFAV-MRXNPFEDSA-N 1 2 316.449 3.817 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1csc(Cl)c1 ZINC000191317421 337295940 /nfs/dbraw/zinc/29/59/40/337295940.db2.gz WTOBZONEUSYHMP-ZJUUUORDSA-N 1 2 310.854 3.741 10 0 DHAELO O[C@H](Cc1c2[nH]cccc2c2c[nH+]cn21)C1CCC2(CC2)CC1 ZINC000584590448 337369490 /nfs/dbraw/zinc/36/94/90/337369490.db2.gz OEDPOSRKYMLFOV-NVXWUHKLSA-N 1 2 309.413 3.569 10 0 DHAELO O[C@H](C[C@@H]1c2ncccc2-c2c[nH+]cn21)C1CCC2(CC2)CC1 ZINC000584590448 337369491 /nfs/dbraw/zinc/36/94/91/337369491.db2.gz OEDPOSRKYMLFOV-NVXWUHKLSA-N 1 2 309.413 3.569 10 0 DHAELO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000247452919 337559700 /nfs/dbraw/zinc/55/97/00/337559700.db2.gz JINRXOHITHLLIP-SPUZQDLCSA-N 1 2 315.461 3.509 10 0 DHAELO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000132482952 341124307 /nfs/dbraw/zinc/12/43/07/341124307.db2.gz KOIJMYIVJIYLKW-MFKMUULPSA-N 1 2 315.244 3.655 10 0 DHAELO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000132482952 341124308 /nfs/dbraw/zinc/12/43/08/341124308.db2.gz KOIJMYIVJIYLKW-MFKMUULPSA-N 1 2 315.244 3.655 10 0 DHAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000248500342 341378902 /nfs/dbraw/zinc/37/89/02/341378902.db2.gz SOHKILYSGFWELB-MCIONIFRSA-N 1 2 322.474 3.573 10 0 DHAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ncc(C(C)C)s1 ZINC000248500342 341378903 /nfs/dbraw/zinc/37/89/03/341378903.db2.gz SOHKILYSGFWELB-MCIONIFRSA-N 1 2 322.474 3.573 10 0 DHAELO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000172244421 341795474 /nfs/dbraw/zinc/79/54/74/341795474.db2.gz HWMSTFMSURILCT-MRXNPFEDSA-N 1 2 323.396 3.555 10 0 DHAELO CC(C)(C)n1cc(C[N@@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000127738254 519154261 /nfs/dbraw/zinc/15/42/61/519154261.db2.gz HERGYGOWJIQHDO-AWEZNQCLSA-N 1 2 304.463 3.822 10 0 DHAELO CC(C)(C)n1cc(C[N@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000127738254 519154268 /nfs/dbraw/zinc/15/42/68/519154268.db2.gz HERGYGOWJIQHDO-AWEZNQCLSA-N 1 2 304.463 3.822 10 0 DHAELO CC(=O)Nc1ccccc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000127724087 519750792 /nfs/dbraw/zinc/75/07/92/519750792.db2.gz WVTSWZSBDJCPBQ-INIZCTEOSA-N 1 2 315.442 3.829 10 0 DHAELO CC(=O)Nc1ccccc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000127724087 519750794 /nfs/dbraw/zinc/75/07/94/519750794.db2.gz WVTSWZSBDJCPBQ-INIZCTEOSA-N 1 2 315.442 3.829 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)c1nc3ccccc3o1)C2 ZINC000181103203 519868842 /nfs/dbraw/zinc/86/88/42/519868842.db2.gz VHAGFQSDXFKSOL-CYBMUJFWSA-N 1 2 324.428 3.804 10 0 DHAELO CC[C@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1nccn1C ZINC000183031639 522765293 /nfs/dbraw/zinc/76/52/93/522765293.db2.gz ODFSRSGNOKLGIH-AWEZNQCLSA-N 1 2 315.808 3.822 10 0 DHAELO CCn1c(C)nnc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000154622944 523156181 /nfs/dbraw/zinc/15/61/81/523156181.db2.gz XCWZCHBUSICTGG-IBGZPJMESA-N 1 2 324.403 3.625 10 0 DHAELO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000183007296 523274685 /nfs/dbraw/zinc/27/46/85/523274685.db2.gz DTVWAWUGIYGZMP-KBPBESRZSA-N 1 2 317.433 3.826 10 0 DHAELO CCn1cc([C@H]2C[N@@H+]([C@@H](C)c3ccccc3Cl)CCO2)cn1 ZINC000190744691 523483208 /nfs/dbraw/zinc/48/32/08/523483208.db2.gz YSAPMWDGTYNSAJ-SUMWQHHRSA-N 1 2 319.836 3.691 10 0 DHAELO CCn1cc([C@H]2C[N@H+]([C@@H](C)c3ccccc3Cl)CCO2)cn1 ZINC000190744691 523483215 /nfs/dbraw/zinc/48/32/15/523483215.db2.gz YSAPMWDGTYNSAJ-SUMWQHHRSA-N 1 2 319.836 3.691 10 0 DHAELO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000181405510 523488398 /nfs/dbraw/zinc/48/83/98/523488398.db2.gz IWFVNPBKROLQAE-KGLIPLIRSA-N 1 2 317.433 3.826 10 0 DHAELO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc(F)c(F)c1 ZINC000181617961 525495211 /nfs/dbraw/zinc/49/52/11/525495211.db2.gz PNSNUTVYZVGGSS-JTQLQIEISA-N 1 2 318.371 3.619 10 0 DHAELO Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cn3ccccc3[nH+]2)o1 ZINC000127667528 525799704 /nfs/dbraw/zinc/79/97/04/525799704.db2.gz SQCBDHMJJHYTNT-INIZCTEOSA-N 1 2 323.396 3.532 10 0 DHAELO Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(C)[nH+]c2C)cs1 ZINC000189112961 527048464 /nfs/dbraw/zinc/04/84/64/527048464.db2.gz UYIQDTPLHQBGDM-HNNXBMFYSA-N 1 2 316.430 3.832 10 0 DHAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000088559880 185257989 /nfs/dbraw/zinc/25/79/89/185257989.db2.gz ULHZXOISYVPCBR-GJZGRUSLSA-N 1 2 320.387 3.695 10 0 DHAELO Cc1[nH]ncc1C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000093613055 193273672 /nfs/dbraw/zinc/27/36/72/193273672.db2.gz VHZJVYSHAIPMRA-ZDUSSCGKSA-N 1 2 304.463 3.678 10 0 DHAELO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000093613055 193273674 /nfs/dbraw/zinc/27/36/74/193273674.db2.gz VHZJVYSHAIPMRA-ZDUSSCGKSA-N 1 2 304.463 3.678 10 0 DHAELO Cc1cccc(C)c1OCCn1c(CCCO)[nH+]c2ccccc21 ZINC000040225296 183048045 /nfs/dbraw/zinc/04/80/45/183048045.db2.gz KVSZAMIRZHKDTD-UHFFFAOYSA-N 1 2 324.424 3.657 10 0 DHAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1ccc(F)cc1 ZINC000040295558 183052504 /nfs/dbraw/zinc/05/25/04/183052504.db2.gz VNKOXCHLPHQDDF-UHFFFAOYSA-N 1 2 311.360 3.739 10 0 DHAELO COc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000040295940 183052827 /nfs/dbraw/zinc/05/28/27/183052827.db2.gz MMNGOJISYXFACC-UHFFFAOYSA-N 1 2 321.380 3.561 10 0 DHAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1ccc(C)cc1 ZINC000040295556 183052885 /nfs/dbraw/zinc/05/28/85/183052885.db2.gz AQEWPGHCYAUBDX-UHFFFAOYSA-N 1 2 307.397 3.909 10 0 DHAELO Nc1c(Nc2ccccc2F)nc[nH+]c1NCc1ccccc1 ZINC000040709265 183121249 /nfs/dbraw/zinc/12/12/49/183121249.db2.gz ZOZCVSRGRGJDAV-UHFFFAOYSA-N 1 2 309.348 3.554 10 0 DHAELO Nc1c(NC2CCCCC2)nc[nH+]c1Nc1ccc(F)cc1 ZINC000040708591 183120704 /nfs/dbraw/zinc/12/07/04/183120704.db2.gz QIWLZKGTTTVMRZ-UHFFFAOYSA-N 1 2 301.369 3.686 10 0 DHAELO Nc1c(Nc2cccc(Cl)c2)nc[nH+]c1NCc1ccco1 ZINC000040761279 183130118 /nfs/dbraw/zinc/13/01/18/183130118.db2.gz GHXHYJDERMGHJQ-UHFFFAOYSA-N 1 2 315.764 3.661 10 0 DHAELO Nc1c(NCc2ccco2)nc[nH+]c1Nc1cccc(Cl)c1 ZINC000040761279 183130122 /nfs/dbraw/zinc/13/01/22/183130122.db2.gz GHXHYJDERMGHJQ-UHFFFAOYSA-N 1 2 315.764 3.661 10 0 DHAELO CCCc1nc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cs1 ZINC000106387427 194206375 /nfs/dbraw/zinc/20/63/75/194206375.db2.gz YAFRNLBKLCZAIV-UHFFFAOYSA-N 1 2 318.490 3.511 10 0 DHAELO Cc1cccc(CNC(=O)c2cc3c(s2)C[N@@H+](C(C)C)C3)c1 ZINC000065238675 184317348 /nfs/dbraw/zinc/31/73/48/184317348.db2.gz LXJMCIKCCGRUPG-UHFFFAOYSA-N 1 2 314.454 3.711 10 0 DHAELO Cc1cccc(CNC(=O)c2cc3c(s2)C[N@H+](C(C)C)C3)c1 ZINC000065238675 184317349 /nfs/dbraw/zinc/31/73/49/184317349.db2.gz LXJMCIKCCGRUPG-UHFFFAOYSA-N 1 2 314.454 3.711 10 0 DHAELO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1nc2ccccc2n1C ZINC000120433527 195165956 /nfs/dbraw/zinc/16/59/56/195165956.db2.gz FYNWUDKZACREEH-QAPCUYQASA-N 1 2 322.456 3.527 10 0 DHAELO CC[C@@H]([NH2+]Cc1csc(N(CC)C(C)=O)n1)c1cccs1 ZINC000049529403 332315459 /nfs/dbraw/zinc/31/54/59/332315459.db2.gz JQLVPTIPHHOSKZ-CYBMUJFWSA-N 1 2 323.487 3.818 10 0 DHAELO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccs1 ZINC000187340042 333430636 /nfs/dbraw/zinc/43/06/36/333430636.db2.gz DUPOHNHMBWEJBA-UKRRQHHQSA-N 1 2 303.427 3.573 10 0 DHAELO CCc1cc(N2C[C@H]3CC=CC[C@@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000301402124 336304537 /nfs/dbraw/zinc/30/45/37/336304537.db2.gz CULZZPOPYNRQDR-HZPDHXFCSA-N 1 2 306.413 3.503 10 0 DHAELO CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000301519208 336311988 /nfs/dbraw/zinc/31/19/88/336311988.db2.gz CQRTVSCUNWICNM-WIEQDCTASA-N 1 2 302.443 3.727 10 0 DHAELO C[C@@H](Nc1ccc2ccccc2[nH+]1)c1cn(-c2ccccc2)nn1 ZINC000301677629 336322862 /nfs/dbraw/zinc/32/28/62/336322862.db2.gz TVIPOLBIOGWCAK-CQSZACIVSA-N 1 2 315.380 3.989 10 0 DHAELO Cc1nc(N2CC[C@H](Oc3cccc(Cl)c3)C2)c(C)c(C)[nH+]1 ZINC000301823122 336332348 /nfs/dbraw/zinc/33/23/48/336332348.db2.gz CGGGAZBWUBHHAU-INIZCTEOSA-N 1 2 317.820 3.713 10 0 DHAELO COc1ccccc1C[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000301858113 336334509 /nfs/dbraw/zinc/33/45/09/336334509.db2.gz DQOSVXVHQUDQAB-OAHLLOKOSA-N 1 2 307.397 3.783 10 0 DHAELO Cc1cc(N(C)Cc2ccc(C)c(F)c2)nc(-c2ccncc2)[nH+]1 ZINC000302709172 336365902 /nfs/dbraw/zinc/36/59/02/336365902.db2.gz KCXTZSGUXQZKMP-UHFFFAOYSA-N 1 2 322.387 3.931 10 0 DHAELO CCO[C@H]1CCCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302888277 336373450 /nfs/dbraw/zinc/37/34/50/336373450.db2.gz MSKUFFODKHYTMM-AWEZNQCLSA-N 1 2 305.466 3.903 10 0 DHAELO Fc1cccc([C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)c1 ZINC000172417308 337128827 /nfs/dbraw/zinc/12/88/27/337128827.db2.gz DSALKFALCSHMMM-FQEVSTJZSA-N 1 2 322.383 3.947 10 0 DHAELO Fc1cccc([C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)c1 ZINC000172417308 337128828 /nfs/dbraw/zinc/12/88/28/337128828.db2.gz DSALKFALCSHMMM-FQEVSTJZSA-N 1 2 322.383 3.947 10 0 DHAELO c1coc([C@H]2CCC[N@H+]2Cc2nc(CCc3ccccc3)no2)c1 ZINC000173759460 337136027 /nfs/dbraw/zinc/13/60/27/337136027.db2.gz RKJQIGNVGMPVTE-MRXNPFEDSA-N 1 2 323.396 3.785 10 0 DHAELO c1coc([C@H]2CCC[N@@H+]2Cc2nc(CCc3ccccc3)no2)c1 ZINC000173759460 337136028 /nfs/dbraw/zinc/13/60/28/337136028.db2.gz RKJQIGNVGMPVTE-MRXNPFEDSA-N 1 2 323.396 3.785 10 0 DHAELO Cc1cc(F)cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173922204 337137535 /nfs/dbraw/zinc/13/75/35/337137535.db2.gz URIOMZRLSQTJBZ-CQSZACIVSA-N 1 2 323.371 3.811 10 0 DHAELO Cc1ccc(F)c(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173926127 337137623 /nfs/dbraw/zinc/13/76/23/337137623.db2.gz YKRAQTMOZPUAQH-AWEZNQCLSA-N 1 2 323.371 3.811 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Br)s2)o1 ZINC000220903677 337167109 /nfs/dbraw/zinc/16/71/09/337167109.db2.gz LGNSEPBZXAYHES-MRVPVSSYSA-N 1 2 301.209 3.658 10 0 DHAELO CCn1cc[nH+]c1CNc1cc(F)c(Br)c(F)c1 ZINC000180584183 337176513 /nfs/dbraw/zinc/17/65/13/337176513.db2.gz WVYXGMHVTOJQGA-UHFFFAOYSA-N 1 2 316.149 3.556 10 0 DHAELO Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000189033592 337276470 /nfs/dbraw/zinc/27/64/70/337276470.db2.gz YUDOWOYHCQDLQO-CQSZACIVSA-N 1 2 313.332 3.806 10 0 DHAELO Fc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000189033592 337276471 /nfs/dbraw/zinc/27/64/71/337276471.db2.gz YUDOWOYHCQDLQO-CQSZACIVSA-N 1 2 313.332 3.806 10 0 DHAELO O[C@@H](Cc1c2[nH]cccc2c2c[nH+]cn21)C1CCC2(CC2)CC1 ZINC000584590450 337369657 /nfs/dbraw/zinc/36/96/57/337369657.db2.gz OEDPOSRKYMLFOV-WBVHZDCISA-N 1 2 309.413 3.569 10 0 DHAELO O[C@@H](C[C@@H]1c2ncccc2-c2c[nH+]cn21)C1CCC2(CC2)CC1 ZINC000584590450 337369658 /nfs/dbraw/zinc/36/96/58/337369658.db2.gz OEDPOSRKYMLFOV-WBVHZDCISA-N 1 2 309.413 3.569 10 0 DHAELO Cc1cc(N2CCC[C@H]2c2ccco2)nc(-c2ccncc2)[nH+]1 ZINC000116263039 337392456 /nfs/dbraw/zinc/39/24/56/337392456.db2.gz CYLXPVDRYNRGQR-HNNXBMFYSA-N 1 2 306.369 3.782 10 0 DHAELO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)c1nnc2n1CCCC2 ZINC000130890587 337434933 /nfs/dbraw/zinc/43/49/33/337434933.db2.gz ILVBZMDTZDNYDY-GHMZBOCLSA-N 1 2 322.815 3.819 10 0 DHAELO CCCCC1CCC(NC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000081590701 337726728 /nfs/dbraw/zinc/72/67/28/337726728.db2.gz BCNQZTJZZXRNLD-UYSNPLJNSA-N 1 2 303.450 3.626 10 0 DHAELO C[C@@H](NC(=O)Nc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000174264999 340385053 /nfs/dbraw/zinc/38/50/53/340385053.db2.gz GOKVNTWCLWOMLP-CYBMUJFWSA-N 1 2 324.359 3.894 10 0 DHAELO CCCC(C)(C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876392 341154146 /nfs/dbraw/zinc/15/41/46/341154146.db2.gz UCROMCWROMOHEP-CQSZACIVSA-N 1 2 314.433 3.811 10 0 DHAELO CC(C)n1cc[nH+]c1CN1CCc2cc(Br)ccc21 ZINC000337352628 520029934 /nfs/dbraw/zinc/02/99/34/520029934.db2.gz ZEJWPKKMTQGJKP-UHFFFAOYSA-N 1 2 320.234 3.789 10 0 DHAELO CC(C)n1cc[nH+]c1C[S@@](=O)CCCc1ccccc1Cl ZINC000181434647 520033067 /nfs/dbraw/zinc/03/30/67/520033067.db2.gz NNHCVNXFFVSKEP-NRFANRHFSA-N 1 2 324.877 3.999 10 0 DHAELO CCc1nnc(C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)n1C ZINC000183751686 522742590 /nfs/dbraw/zinc/74/25/90/522742590.db2.gz MVQYWKVJLRFXDN-VIFPVBQESA-N 1 2 313.232 3.535 10 0 DHAELO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000181405473 523923105 /nfs/dbraw/zinc/92/31/05/523923105.db2.gz IWFVNPBKROLQAE-ZIAGYGMSSA-N 1 2 317.433 3.826 10 0 DHAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3F)no2)o1 ZINC000189189975 525736028 /nfs/dbraw/zinc/73/60/28/525736028.db2.gz DEMYVGXBPICHRN-LLVKDONJSA-N 1 2 301.321 3.628 10 0 DHAELO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1OC ZINC000127682992 525936159 /nfs/dbraw/zinc/93/61/59/525936159.db2.gz SKCYBULSVYKWCW-CQSZACIVSA-N 1 2 318.442 3.888 10 0 DHAELO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nccs2)c1OC ZINC000127682992 525936168 /nfs/dbraw/zinc/93/61/68/525936168.db2.gz SKCYBULSVYKWCW-CQSZACIVSA-N 1 2 318.442 3.888 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2ncnn2CC(C)C)o1 ZINC000182808580 525994982 /nfs/dbraw/zinc/99/49/82/525994982.db2.gz NJXLNANLXHABOF-OAHLLOKOSA-N 1 2 302.422 3.563 10 0 DHAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ncnn2CC(C)C)o1 ZINC000182808580 525994992 /nfs/dbraw/zinc/99/49/92/525994992.db2.gz NJXLNANLXHABOF-OAHLLOKOSA-N 1 2 302.422 3.563 10 0 DHAELO Cc1cnc(C[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)s1 ZINC000180468256 526028553 /nfs/dbraw/zinc/02/85/53/526028553.db2.gz RIWGDFZCTAAJBG-OAHLLOKOSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1cnc(C[N@H+]2C[C@H](c3ccccc3)OCC2(C)C)s1 ZINC000180468256 526028557 /nfs/dbraw/zinc/02/85/57/526028557.db2.gz RIWGDFZCTAAJBG-OAHLLOKOSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1cncc([C@@H](C)[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000184405653 526214266 /nfs/dbraw/zinc/21/42/66/526214266.db2.gz PLKZZOHVBMHJAS-DOMZBBRYSA-N 1 2 300.406 3.698 10 0 DHAELO Cc1cccc(C)c1Nc1ncc(Br)n2c[nH+]cc12 ZINC000090398306 185294469 /nfs/dbraw/zinc/29/44/69/185294469.db2.gz QJROCWOYQJVTTD-UHFFFAOYSA-N 1 2 317.190 3.852 10 0 DHAELO CCn1c(CCCCCNC(=O)C(C)(C)C)[nH+]c2ccccc21 ZINC000040211880 183045795 /nfs/dbraw/zinc/04/57/95/183045795.db2.gz CKIGVZFYCMWEHZ-UHFFFAOYSA-N 1 2 315.461 3.931 10 0 DHAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(F)c1 ZINC000040295732 183052513 /nfs/dbraw/zinc/05/25/13/183052513.db2.gz GSMPYFIYJGSPBA-UHFFFAOYSA-N 1 2 311.360 3.767 10 0 DHAELO COc1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040295646 183052741 /nfs/dbraw/zinc/05/27/41/183052741.db2.gz UTRUTJBHYJIJQU-UHFFFAOYSA-N 1 2 323.396 3.807 10 0 DHAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(OC)cc1 ZINC000040295744 183053074 /nfs/dbraw/zinc/05/30/74/183053074.db2.gz SUIXGIGWKYYTBU-UHFFFAOYSA-N 1 2 323.396 3.636 10 0 DHAELO Cc1cc2[nH+]c(CCCO)n(Cc3ccc(F)cc3)c2cc1C ZINC000040310969 183053274 /nfs/dbraw/zinc/05/32/74/183053274.db2.gz MKTQZVSARJSQLS-UHFFFAOYSA-N 1 2 312.388 3.765 10 0 DHAELO COc1ccccc1Nc1nc[nH+]c(NC2CCCCC2)c1N ZINC000040708575 183120526 /nfs/dbraw/zinc/12/05/26/183120526.db2.gz QTFSNRDIUUZIDC-UHFFFAOYSA-N 1 2 313.405 3.556 10 0 DHAELO CC(C)CN(CC(C)C)c1nc[nH+]c(N2CCCCCC2)c1N ZINC000040725403 183124309 /nfs/dbraw/zinc/12/43/09/183124309.db2.gz YZHFTYRNODZLGJ-UHFFFAOYSA-N 1 2 319.497 3.558 10 0 DHAELO CC(C)CN(CC(C)C)c1[nH+]cnc(N2CCCCCC2)c1N ZINC000040725403 183124313 /nfs/dbraw/zinc/12/43/13/183124313.db2.gz YZHFTYRNODZLGJ-UHFFFAOYSA-N 1 2 319.497 3.558 10 0 DHAELO Clc1ncc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)s1 ZINC000275977682 257256987 /nfs/dbraw/zinc/25/69/87/257256987.db2.gz OAXUHEULLCUBAN-CYBMUJFWSA-N 1 2 322.865 3.736 10 0 DHAELO CC(C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)=C1CCCC1 ZINC000176676448 333117715 /nfs/dbraw/zinc/11/77/15/333117715.db2.gz TVHZVXCIXVTUSV-HNNXBMFYSA-N 1 2 309.413 3.940 10 0 DHAELO C[C@H]([NH2+]Cc1ccn(C)n1)c1c(Cl)ccc(F)c1Cl ZINC000112341712 334384166 /nfs/dbraw/zinc/38/41/66/334384166.db2.gz UHAGMEBTSOMSEL-QMMMGPOBSA-N 1 2 302.180 3.717 10 0 DHAELO Cc1ccsc1CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000301225041 336295480 /nfs/dbraw/zinc/29/54/80/336295480.db2.gz CZASDDKNNGJDPV-GFCCVEGCSA-N 1 2 302.447 3.695 10 0 DHAELO Cc1ccsc1CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000301225041 336295481 /nfs/dbraw/zinc/29/54/81/336295481.db2.gz CZASDDKNNGJDPV-GFCCVEGCSA-N 1 2 302.447 3.695 10 0 DHAELO CCS[C@@H]1CC[C@]1(O)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000301667867 336322160 /nfs/dbraw/zinc/32/21/60/336322160.db2.gz MJTHKMNZYIPFCN-WBVHZDCISA-N 1 2 320.433 3.741 10 0 DHAELO CO[C@H]1CCC[C@H](Nc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000301775871 336329019 /nfs/dbraw/zinc/32/90/19/336329019.db2.gz LGQDCWFYNOEFTM-HOTGVXAUSA-N 1 2 312.417 3.525 10 0 DHAELO Fc1ccccc1NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301850119 336334044 /nfs/dbraw/zinc/33/40/44/336334044.db2.gz AUQVUZBHTKLSMN-UHFFFAOYSA-N 1 2 310.376 3.783 10 0 DHAELO COc1ccccc1C[C@@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000301858110 336334482 /nfs/dbraw/zinc/33/44/82/336334482.db2.gz DQOSVXVHQUDQAB-HNNXBMFYSA-N 1 2 307.397 3.783 10 0 DHAELO CCOC1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000302898663 336373689 /nfs/dbraw/zinc/37/36/89/336373689.db2.gz PYROVSJTPMMAMX-UHFFFAOYSA-N 1 2 305.466 3.903 10 0 DHAELO Brc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)nc1 ZINC000172030163 337091085 /nfs/dbraw/zinc/09/10/85/337091085.db2.gz RWFZOEHVJSRCSI-CYBMUJFWSA-N 1 2 307.191 3.774 10 0 DHAELO Brc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)nc1 ZINC000172030163 337091086 /nfs/dbraw/zinc/09/10/86/337091086.db2.gz RWFZOEHVJSRCSI-CYBMUJFWSA-N 1 2 307.191 3.774 10 0 DHAELO Brc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)nc1 ZINC000172030160 337091096 /nfs/dbraw/zinc/09/10/96/337091096.db2.gz RWFZOEHVJSRCSI-ZDUSSCGKSA-N 1 2 307.191 3.774 10 0 DHAELO Brc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)nc1 ZINC000172030160 337091097 /nfs/dbraw/zinc/09/10/97/337091097.db2.gz RWFZOEHVJSRCSI-ZDUSSCGKSA-N 1 2 307.191 3.774 10 0 DHAELO Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000173938636 337137680 /nfs/dbraw/zinc/13/76/80/337137680.db2.gz HKXQAWNXLURXCX-MRXNPFEDSA-N 1 2 319.408 3.980 10 0 DHAELO COc1c(C)cnc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1C ZINC000173958314 337137977 /nfs/dbraw/zinc/13/79/77/337137977.db2.gz GVOSPRIJYBXBNX-UHFFFAOYSA-N 1 2 319.474 3.805 10 0 DHAELO COc1c(C)c[nH+]c(CNC(C)(C)c2nc(C)c(C)s2)c1C ZINC000173958314 337137978 /nfs/dbraw/zinc/13/79/78/337137978.db2.gz GVOSPRIJYBXBNX-UHFFFAOYSA-N 1 2 319.474 3.805 10 0 DHAELO Cc1csc([C@H]2C[N@H+](Cc3ccc(Cl)c(C)c3)CCO2)n1 ZINC000180427284 337174370 /nfs/dbraw/zinc/17/43/70/337174370.db2.gz HSCNWCSUHJWDNF-OAHLLOKOSA-N 1 2 322.861 3.987 10 0 DHAELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(Cl)c(C)c3)CCO2)n1 ZINC000180427284 337174371 /nfs/dbraw/zinc/17/43/71/337174371.db2.gz HSCNWCSUHJWDNF-OAHLLOKOSA-N 1 2 322.861 3.987 10 0 DHAELO C[C@H]1C[C@@H](C(=O)N(C)c2ccc[nH+]c2N(C)C)CC(C)(C)C1 ZINC000180971561 337178899 /nfs/dbraw/zinc/17/88/99/337178899.db2.gz UYKWKGPSCSHFBB-UONOGXRCSA-N 1 2 303.450 3.573 10 0 DHAELO Cc1nccnc1[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000187947130 337269001 /nfs/dbraw/zinc/26/90/01/337269001.db2.gz XRETXCMUBBLLES-DNVCBOLYSA-N 1 2 304.397 3.620 10 0 DHAELO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cn1 ZINC000191300960 337295763 /nfs/dbraw/zinc/29/57/63/337295763.db2.gz KATZPELEGURQMJ-OAHLLOKOSA-N 1 2 316.474 3.721 10 0 DHAELO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cn1 ZINC000191300960 337295764 /nfs/dbraw/zinc/29/57/64/337295764.db2.gz KATZPELEGURQMJ-OAHLLOKOSA-N 1 2 316.474 3.721 10 0 DHAELO COc1ccc([NH2+][C@@H]2CCCC[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000584606286 337371640 /nfs/dbraw/zinc/37/16/40/337371640.db2.gz RNRFPCCSPSLMPE-ZWKOTPCHSA-N 1 2 316.445 3.678 10 0 DHAELO COc1cc2cc(C)[nH+]c([C@H](O)c3ccccc3)c2cc1OC ZINC000584620042 337371763 /nfs/dbraw/zinc/37/17/63/337371763.db2.gz YUFYYHQDCIIMDN-LJQANCHMSA-N 1 2 309.365 3.642 10 0 DHAELO Cc1csc([C@H]2CCCN(C(=O)Nc3cc[nH+]c(C)c3)C2)n1 ZINC000119918418 337395242 /nfs/dbraw/zinc/39/52/42/337395242.db2.gz ZHIJDBBVAYTBDI-ZDUSSCGKSA-N 1 2 316.430 3.566 10 0 DHAELO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2Br)o1 ZINC000315343073 337985185 /nfs/dbraw/zinc/98/51/85/337985185.db2.gz KNOXNRCBPBXJHP-SNVBAGLBSA-N 1 2 310.191 3.907 10 0 DHAELO C[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000184745173 340479625 /nfs/dbraw/zinc/47/96/25/340479625.db2.gz XKUBQNNENCEUAJ-PMPSAXMXSA-N 1 2 311.429 3.876 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc(Cl)cs1)C2 ZINC000194390543 340591966 /nfs/dbraw/zinc/59/19/66/340591966.db2.gz NCLZBEWGMAINBP-UHFFFAOYSA-N 1 2 309.866 3.817 10 0 DHAELO C[C@H]([NH2+]Cc1ccnn1C)c1c(Cl)ccc(F)c1Cl ZINC000071138804 341022893 /nfs/dbraw/zinc/02/28/93/341022893.db2.gz PIWIAKHMLUVUAS-QMMMGPOBSA-N 1 2 302.180 3.717 10 0 DHAELO C[C@@H]([NH2+]Cc1ccnn1C)c1c(Cl)ccc(F)c1Cl ZINC000071138805 341022949 /nfs/dbraw/zinc/02/29/49/341022949.db2.gz PIWIAKHMLUVUAS-MRVPVSSYSA-N 1 2 302.180 3.717 10 0 DHAELO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245545904 341300903 /nfs/dbraw/zinc/30/09/03/341300903.db2.gz UPZGOEGZWOFNQL-RTBURBONSA-N 1 2 318.436 3.569 10 0 DHAELO Fc1cccc(N2CCCC2)c1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245545904 341300904 /nfs/dbraw/zinc/30/09/04/341300904.db2.gz UPZGOEGZWOFNQL-RTBURBONSA-N 1 2 318.436 3.569 10 0 DHAELO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249318298 341396423 /nfs/dbraw/zinc/39/64/23/341396423.db2.gz PGGIGAKONKVFFK-ZIAGYGMSSA-N 1 2 315.335 3.565 10 0 DHAELO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249318298 341396424 /nfs/dbraw/zinc/39/64/24/341396424.db2.gz PGGIGAKONKVFFK-ZIAGYGMSSA-N 1 2 315.335 3.565 10 0 DHAELO CC(=O)Nc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000127723866 519750656 /nfs/dbraw/zinc/75/06/56/519750656.db2.gz WVTSWZSBDJCPBQ-MRXNPFEDSA-N 1 2 315.442 3.829 10 0 DHAELO CC(=O)Nc1ccccc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000127723866 519750658 /nfs/dbraw/zinc/75/06/58/519750658.db2.gz WVTSWZSBDJCPBQ-MRXNPFEDSA-N 1 2 315.442 3.829 10 0 DHAELO CC(C)CO[C@H](C)c1noc(C[NH2+][C@H](C)c2cccs2)n1 ZINC000182552172 519761123 /nfs/dbraw/zinc/76/11/23/519761123.db2.gz JWQFKUDNIKOBOI-VXGBXAGGSA-N 1 2 309.435 3.716 10 0 DHAELO CCC[C@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccc(F)cc1F ZINC000181677192 521166035 /nfs/dbraw/zinc/16/60/35/521166035.db2.gz IVZBVGNKWNEDSL-HNNXBMFYSA-N 1 2 322.403 3.848 10 0 DHAELO CCCc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000171662513 521397968 /nfs/dbraw/zinc/39/79/68/521397968.db2.gz HEVOBRRMADDFMO-MRXNPFEDSA-N 1 2 302.443 3.669 10 0 DHAELO CCCc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000171662513 521397981 /nfs/dbraw/zinc/39/79/81/521397981.db2.gz HEVOBRRMADDFMO-MRXNPFEDSA-N 1 2 302.443 3.669 10 0 DHAELO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1cccc(Cl)c1F ZINC000161880269 522754348 /nfs/dbraw/zinc/75/43/48/522754348.db2.gz FPMIAJLWGRXPSU-KBPBESRZSA-N 1 2 322.815 3.955 10 0 DHAELO CCn1cc[nH+]c1CS[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000155094986 523544855 /nfs/dbraw/zinc/54/48/55/523544855.db2.gz SJJAETAVHYGNDW-LBPRGKRZSA-N 1 2 314.414 3.947 10 0 DHAELO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000181870338 523732086 /nfs/dbraw/zinc/73/20/86/523732086.db2.gz FSBPKWWSVLPIBX-DOMZBBRYSA-N 1 2 310.401 3.772 10 0 DHAELO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(Cl)cc1 ZINC000105607479 525559636 /nfs/dbraw/zinc/55/96/36/525559636.db2.gz NAJTZIKBEAOHIX-SNVBAGLBSA-N 1 2 303.749 3.834 10 0 DHAELO CCSc1nc(-c2ccc(OC)c(OC)c2)cc2[nH+]ccn21 ZINC000000009125 560176829 /nfs/dbraw/zinc/17/68/29/560176829.db2.gz VCAREOFNIBYKAE-UHFFFAOYSA-N 1 2 315.398 3.526 10 0 in-vitro DHAELO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)Cc1ccccc1 ZINC000226253785 563913364 /nfs/dbraw/zinc/91/33/64/563913364.db2.gz IZKKRGVUWRCISQ-OAHLLOKOSA-N 1 2 323.440 3.829 10 0 DHAELO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)Cc1ccccc1 ZINC000226253785 563913365 /nfs/dbraw/zinc/91/33/65/563913365.db2.gz IZKKRGVUWRCISQ-OAHLLOKOSA-N 1 2 323.440 3.829 10 0 DHAELO Cc1[nH+]c2ccc(F)cc2n1C1CCN(C(=O)CC(C)C)CC1 ZINC000034915182 563961192 /nfs/dbraw/zinc/96/11/92/563961192.db2.gz DBCDDZQZCKCUMW-UHFFFAOYSA-N 1 2 317.408 3.693 10 0 DHAELO C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000092790097 185341423 /nfs/dbraw/zinc/34/14/23/185341423.db2.gz KMNKUDYESWWJLQ-OOXMNIKJSA-N 1 2 314.454 3.928 10 0 DHAELO C/C(=C/c1ccccc1)C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000092790097 185341424 /nfs/dbraw/zinc/34/14/24/185341424.db2.gz KMNKUDYESWWJLQ-OOXMNIKJSA-N 1 2 314.454 3.928 10 0 DHAELO C=CC(=O)NCCCCCc1[nH+]c2ccccc2n1CCCC ZINC000040219568 183046815 /nfs/dbraw/zinc/04/68/15/183046815.db2.gz OCYDSAOQXJHESL-UHFFFAOYSA-N 1 2 313.445 3.851 10 0 DHAELO CC[NH+](CC)CCCn1c2ccc(C(=O)[O-])cc2[nH+]c1C(C)C ZINC000040403624 183061443 /nfs/dbraw/zinc/06/14/43/183061443.db2.gz VYIDOQUSKIANTB-UHFFFAOYSA-N 1 2 317.433 3.590 10 0 DHAELO CCCNc1[nH+]cnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040707804 183120930 /nfs/dbraw/zinc/12/09/30/183120930.db2.gz KNBFJTFAJKKEFL-UHFFFAOYSA-N 1 2 312.204 3.931 10 0 DHAELO CC(C)CCNc1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040797824 183135356 /nfs/dbraw/zinc/13/53/56/183135356.db2.gz NSYRIGSQDSBXRO-UHFFFAOYSA-N 1 2 307.348 3.539 10 0 DHAELO Nc1c(NC2CCCCCC2)nc[nH+]c1N1CCCCCC1 ZINC000040725688 183124807 /nfs/dbraw/zinc/12/48/07/183124807.db2.gz IEVYESGMMFOBMQ-UHFFFAOYSA-N 1 2 303.454 3.574 10 0 DHAELO Cc1cc(F)ccc1NC(=O)c1cccn1-c1ccc[nH+]c1C ZINC000064839250 184304186 /nfs/dbraw/zinc/30/41/86/184304186.db2.gz HWJSDSKKWSCOGZ-UHFFFAOYSA-N 1 2 309.344 3.881 10 0 DHAELO COc1ccc(C)cc1NC(=O)c1cccn1-c1ccc[nH+]c1C ZINC000064839252 184304271 /nfs/dbraw/zinc/30/42/71/184304271.db2.gz MYTZEMAKBCHTRA-UHFFFAOYSA-N 1 2 321.380 3.750 10 0 DHAELO CCc1cccc(NC(=O)c2cccn2-c2ccc[nH+]c2C)c1 ZINC000064839238 184304286 /nfs/dbraw/zinc/30/42/86/184304286.db2.gz CWWMXLBUUHQPLR-UHFFFAOYSA-N 1 2 305.381 3.995 10 0 DHAELO CCOc1ccccc1OCCSCc1[nH+]ccn1CC ZINC000175301262 332886329 /nfs/dbraw/zinc/88/63/29/332886329.db2.gz GNTDHGHRBDIFCW-UHFFFAOYSA-N 1 2 306.431 3.614 10 0 DHAELO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180996050 333166523 /nfs/dbraw/zinc/16/65/23/333166523.db2.gz QJEYYMBQSIMWRQ-MRXNPFEDSA-N 1 2 324.384 3.597 10 0 DHAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2)cn1 ZINC000311808824 333389789 /nfs/dbraw/zinc/38/97/89/333389789.db2.gz LNVPZRSKADMIRK-OAHLLOKOSA-N 1 2 320.234 3.520 10 0 DHAELO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(Br)cc2)cn1 ZINC000311808824 333389791 /nfs/dbraw/zinc/38/97/91/333389791.db2.gz LNVPZRSKADMIRK-OAHLLOKOSA-N 1 2 320.234 3.520 10 0 DHAELO Cc1nc2n(n1)CCC[C@@H]2Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000129128464 334902128 /nfs/dbraw/zinc/90/21/28/334902128.db2.gz WVSIFMDWDHOQHW-AWEZNQCLSA-N 1 2 311.364 3.529 10 0 DHAELO FC(F)c1nc2ccccc2c(N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000329308617 335962330 /nfs/dbraw/zinc/96/23/30/335962330.db2.gz ZWWHEJSZGLTBPR-LBPRGKRZSA-N 1 2 315.327 3.632 10 0 DHAELO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000192649466 336254347 /nfs/dbraw/zinc/25/43/47/336254347.db2.gz PGGIGAKONKVFFK-UONOGXRCSA-N 1 2 315.335 3.565 10 0 DHAELO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000192649466 336254348 /nfs/dbraw/zinc/25/43/48/336254348.db2.gz PGGIGAKONKVFFK-UONOGXRCSA-N 1 2 315.335 3.565 10 0 DHAELO Brc1ccsc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043511825 336263510 /nfs/dbraw/zinc/26/35/10/336263510.db2.gz YSEDVJWXRJEEJK-NWDGAFQWSA-N 1 2 316.264 3.654 10 0 DHAELO Brc1ccsc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043511825 336263511 /nfs/dbraw/zinc/26/35/11/336263511.db2.gz YSEDVJWXRJEEJK-NWDGAFQWSA-N 1 2 316.264 3.654 10 0 DHAELO CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301401114 336304563 /nfs/dbraw/zinc/30/45/63/336304563.db2.gz BZCQGSCZNNWIPB-HUUCEWRRSA-N 1 2 322.408 3.814 10 0 DHAELO CO[C@H]1CCC[C@@H](Nc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000301775870 336329058 /nfs/dbraw/zinc/32/90/58/336329058.db2.gz LGQDCWFYNOEFTM-CVEARBPZSA-N 1 2 312.417 3.525 10 0 DHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000122782487 337023871 /nfs/dbraw/zinc/02/38/71/337023871.db2.gz DTHJLXAQWJLUHZ-HNNXBMFYSA-N 1 2 323.362 3.791 10 0 DHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000122782487 337023872 /nfs/dbraw/zinc/02/38/72/337023872.db2.gz DTHJLXAQWJLUHZ-HNNXBMFYSA-N 1 2 323.362 3.791 10 0 DHAELO C[C@H]1C[N@H+](Cc2csc(Cc3ccccc3)n2)CCS1 ZINC000171691027 337088611 /nfs/dbraw/zinc/08/86/11/337088611.db2.gz WGBSRMDFPZSYPS-ZDUSSCGKSA-N 1 2 304.484 3.671 10 0 DHAELO C[C@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CCS1 ZINC000171691027 337088612 /nfs/dbraw/zinc/08/86/12/337088612.db2.gz WGBSRMDFPZSYPS-ZDUSSCGKSA-N 1 2 304.484 3.671 10 0 DHAELO C[C@H](NC(=O)CC1=CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173921006 337137591 /nfs/dbraw/zinc/13/75/91/337137591.db2.gz BOIQNRAYASRHAC-HNNXBMFYSA-N 1 2 309.413 3.940 10 0 DHAELO Clc1ccc(/C=C/C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000179880370 337172246 /nfs/dbraw/zinc/17/22/46/337172246.db2.gz XRORLTNHXGZMPU-BGTMTDRBSA-N 1 2 320.845 3.883 10 0 DHAELO Clc1ccc(/C=C/C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000179880370 337172247 /nfs/dbraw/zinc/17/22/47/337172247.db2.gz XRORLTNHXGZMPU-BGTMTDRBSA-N 1 2 320.845 3.883 10 0 DHAELO CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186563366 337257620 /nfs/dbraw/zinc/25/76/20/337257620.db2.gz FWNBQWVILNBECV-UCLAIMLFSA-N 1 2 311.429 3.732 10 0 DHAELO CCCc1cccc(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000186927457 337260454 /nfs/dbraw/zinc/26/04/54/337260454.db2.gz PFSULURTFHIDCF-QGZVFWFLSA-N 1 2 316.470 3.978 10 0 DHAELO CCCc1cccc(C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000186927457 337260455 /nfs/dbraw/zinc/26/04/55/337260455.db2.gz PFSULURTFHIDCF-QGZVFWFLSA-N 1 2 316.470 3.978 10 0 DHAELO Cc1cc(Br)cc(Cl)c1OCCCC[NH+]1CC1 ZINC000584591626 337373510 /nfs/dbraw/zinc/37/35/10/337373510.db2.gz BBBTVTVJMNDTPQ-UHFFFAOYSA-N 1 2 318.642 3.886 10 0 DHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000106207109 337387171 /nfs/dbraw/zinc/38/71/71/337387171.db2.gz WAKMYRXYGWKDEN-OAHLLOKOSA-N 1 2 318.490 3.954 10 0 DHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000106207109 337387172 /nfs/dbraw/zinc/38/71/72/337387172.db2.gz WAKMYRXYGWKDEN-OAHLLOKOSA-N 1 2 318.490 3.954 10 0 DHAELO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116288778 337392585 /nfs/dbraw/zinc/39/25/85/337392585.db2.gz MVQOWZAHNPBMLI-HNNXBMFYSA-N 1 2 316.426 3.777 10 0 DHAELO CSc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116288778 337392586 /nfs/dbraw/zinc/39/25/86/337392586.db2.gz MVQOWZAHNPBMLI-HNNXBMFYSA-N 1 2 316.426 3.777 10 0 DHAELO CC(C)CNC(=O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000135716169 341244726 /nfs/dbraw/zinc/24/47/26/341244726.db2.gz IUPRBOSUUXLHHV-SECBINFHSA-N 1 2 321.223 3.555 10 0 DHAELO CCn1cc[nH+]c1C[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000083033496 341340257 /nfs/dbraw/zinc/34/02/57/341340257.db2.gz DOQNZLWABQUOHM-QHCPKHFHSA-N 1 2 324.449 3.941 10 0 DHAELO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000182552117 519759751 /nfs/dbraw/zinc/75/97/51/519759751.db2.gz JWQFKUDNIKOBOI-RYUDHWBXSA-N 1 2 309.435 3.716 10 0 DHAELO COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000163327007 522006972 /nfs/dbraw/zinc/00/69/72/522006972.db2.gz KWUVSAIKEQBQAR-LBPRGKRZSA-N 1 2 322.455 3.718 10 0 DHAELO COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000163327007 522006981 /nfs/dbraw/zinc/00/69/81/522006981.db2.gz KWUVSAIKEQBQAR-LBPRGKRZSA-N 1 2 322.455 3.718 10 0 DHAELO CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000127747437 522652983 /nfs/dbraw/zinc/65/29/83/522652983.db2.gz FGTZEJHGYAZXJR-INIZCTEOSA-N 1 2 318.490 3.729 10 0 DHAELO CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000127747437 522652999 /nfs/dbraw/zinc/65/29/99/522652999.db2.gz FGTZEJHGYAZXJR-INIZCTEOSA-N 1 2 318.490 3.729 10 0 DHAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000183752475 523153870 /nfs/dbraw/zinc/15/38/70/523153870.db2.gz NVGUDHHTDQDOKF-VIFPVBQESA-N 1 2 313.232 3.764 10 0 DHAELO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000183007275 523275175 /nfs/dbraw/zinc/27/51/75/523275175.db2.gz DTVWAWUGIYGZMP-KGLIPLIRSA-N 1 2 317.433 3.826 10 0 DHAELO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1OC ZINC000127699247 524026543 /nfs/dbraw/zinc/02/65/43/524026543.db2.gz PJMNPDXLEBUOHI-CQSZACIVSA-N 1 2 318.442 3.888 10 0 DHAELO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1OC ZINC000127699247 524026546 /nfs/dbraw/zinc/02/65/46/524026546.db2.gz PJMNPDXLEBUOHI-CQSZACIVSA-N 1 2 318.442 3.888 10 0 DHAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc(F)c(F)c3)no2)o1 ZINC000182579871 525930715 /nfs/dbraw/zinc/93/07/15/525930715.db2.gz YUDYOMOSLCVOON-JTQLQIEISA-N 1 2 319.311 3.767 10 0 DHAELO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1OC ZINC000127683236 525935624 /nfs/dbraw/zinc/93/56/24/525935624.db2.gz SKCYBULSVYKWCW-AWEZNQCLSA-N 1 2 318.442 3.888 10 0 DHAELO COc1cccc(C[N@H+]2CCCC[C@H]2c2nccs2)c1OC ZINC000127683236 525935627 /nfs/dbraw/zinc/93/56/27/525935627.db2.gz SKCYBULSVYKWCW-AWEZNQCLSA-N 1 2 318.442 3.888 10 0 DHAELO Cc1csc([C@H]2C[N@H+](Cc3ccc(Cl)cc3)CCO2)n1 ZINC000157077250 526445096 /nfs/dbraw/zinc/44/50/96/526445096.db2.gz NPENCUZGYSAYLL-CQSZACIVSA-N 1 2 308.834 3.678 10 0 DHAELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CCO2)n1 ZINC000157077250 526445102 /nfs/dbraw/zinc/44/51/02/526445102.db2.gz NPENCUZGYSAYLL-CQSZACIVSA-N 1 2 308.834 3.678 10 0 DHAELO c1csc([C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)c1 ZINC000157737297 526585397 /nfs/dbraw/zinc/58/53/97/526585397.db2.gz YCLCLLVAGKVBAW-KRWDZBQOSA-N 1 2 310.422 3.870 10 0 DHAELO c1csc([C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)c1 ZINC000157737297 526585400 /nfs/dbraw/zinc/58/54/00/526585400.db2.gz YCLCLLVAGKVBAW-KRWDZBQOSA-N 1 2 310.422 3.870 10 0 DHAELO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c(C(C)(C)C)n1 ZINC000179964726 527199320 /nfs/dbraw/zinc/19/93/20/527199320.db2.gz NIYFIHQGNIMQLU-CQSZACIVSA-N 1 2 318.490 3.901 10 0 DHAELO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nccs2)c(C(C)(C)C)n1 ZINC000179964726 527199325 /nfs/dbraw/zinc/19/93/25/527199325.db2.gz NIYFIHQGNIMQLU-CQSZACIVSA-N 1 2 318.490 3.901 10 0 DHAELO CNc1[nH+]cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040707084 183121375 /nfs/dbraw/zinc/12/13/75/183121375.db2.gz VIASNFNSACWVRN-UHFFFAOYSA-N 1 2 317.702 3.516 10 0 DHAELO CNc1nc[nH+]c(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040707084 183121376 /nfs/dbraw/zinc/12/13/76/183121376.db2.gz VIASNFNSACWVRN-UHFFFAOYSA-N 1 2 317.702 3.516 10 0 DHAELO CC(C)CN(CC(C)C)c1nc[nH+]c(Nc2ccccc2)c1N ZINC000040735645 183126242 /nfs/dbraw/zinc/12/62/42/183126242.db2.gz NXSRROCEJBYLPI-UHFFFAOYSA-N 1 2 313.449 3.921 10 0 DHAELO CC(C)CN(CC(C)C)c1[nH+]cnc(Nc2ccccc2)c1N ZINC000040735645 183126245 /nfs/dbraw/zinc/12/62/45/183126245.db2.gz NXSRROCEJBYLPI-UHFFFAOYSA-N 1 2 313.449 3.921 10 0 DHAELO CC[N@H+](CC(=O)c1cc(Cl)sc1Cl)[C@H](C)COC ZINC000042775380 183307490 /nfs/dbraw/zinc/30/74/90/183307490.db2.gz AMGBCJCRYDCCGW-MRVPVSSYSA-N 1 2 310.246 3.594 10 0 DHAELO CC[N@@H+](CC(=O)c1cc(Cl)sc1Cl)[C@H](C)COC ZINC000042775380 183307492 /nfs/dbraw/zinc/30/74/92/183307492.db2.gz AMGBCJCRYDCCGW-MRVPVSSYSA-N 1 2 310.246 3.594 10 0 DHAELO Nc1ccc(SCc2cc(Br)cs2)c[nH+]1 ZINC000043687594 183381273 /nfs/dbraw/zinc/38/12/73/183381273.db2.gz RYBIMLJSBRRJTM-UHFFFAOYSA-N 1 2 301.234 3.780 10 0 DHAELO CCCn1cc[nH+]c1CNc1cc(Br)ccc1F ZINC000061877596 184192264 /nfs/dbraw/zinc/19/22/64/184192264.db2.gz WLKVEASWQFWAGY-UHFFFAOYSA-N 1 2 312.186 3.807 10 0 DHAELO CCN(CC)c1cc(CCC(=O)Nc2ccccc2C)cc[nH+]1 ZINC000065269927 184320249 /nfs/dbraw/zinc/32/02/49/184320249.db2.gz WPQPLJYBDBZIFT-UHFFFAOYSA-N 1 2 311.429 3.808 10 0 DHAELO Cc1csc(C2([NH2+]Cc3nc4cccnc4s3)CCC2)n1 ZINC000330260802 336131027 /nfs/dbraw/zinc/13/10/27/336131027.db2.gz OQFHKOAGSIYYCH-UHFFFAOYSA-N 1 2 316.455 3.625 10 0 DHAELO Brc1csc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000043687347 336269974 /nfs/dbraw/zinc/26/99/74/336269974.db2.gz OTIPZFMFFMTLPG-QWHCGFSZSA-N 1 2 316.264 3.654 10 0 DHAELO Brc1csc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000043687347 336269975 /nfs/dbraw/zinc/26/99/75/336269975.db2.gz OTIPZFMFFMTLPG-QWHCGFSZSA-N 1 2 316.264 3.654 10 0 DHAELO CCO[C@@H]1C[C@H](N(C)c2cc[nH+]c(C3CC3)n2)C12CCCC2 ZINC000301342222 336301638 /nfs/dbraw/zinc/30/16/38/336301638.db2.gz IKUUSKQRRICRCO-LSDHHAIUSA-N 1 2 301.434 3.528 10 0 DHAELO CCc1ccccc1NC(=O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000301508033 336311361 /nfs/dbraw/zinc/31/13/61/336311361.db2.gz DJGPQJRJAZWUQH-UHFFFAOYSA-N 1 2 323.318 3.713 10 0 DHAELO CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000301519207 336312038 /nfs/dbraw/zinc/31/20/38/336312038.db2.gz CQRTVSCUNWICNM-PZPWOCDFSA-N 1 2 302.443 3.727 10 0 DHAELO Cc1cc(NCCc2nncn2C(C)C)c2cccc(F)c2[nH+]1 ZINC000301696803 336324173 /nfs/dbraw/zinc/32/41/73/336324173.db2.gz ZEBQMVKDVNOCQG-UHFFFAOYSA-N 1 2 313.380 3.509 10 0 DHAELO COc1ccc([C@@H]2C[C@@H](C)N(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000301855440 336334458 /nfs/dbraw/zinc/33/44/58/336334458.db2.gz CUDMWAFNJLUUQI-UKRRQHHQSA-N 1 2 307.397 3.954 10 0 DHAELO Cc1nc(NC[C@@H](O)c2ccc(Cl)s2)c2c([nH+]1)CCCC2 ZINC000302092211 336348038 /nfs/dbraw/zinc/34/80/38/336348038.db2.gz MPUMYLQQSGANDZ-GFCCVEGCSA-N 1 2 323.849 3.524 10 0 DHAELO Cc1nc(N[C@@H]2CCO[C@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302123214 336349532 /nfs/dbraw/zinc/34/95/32/336349532.db2.gz YSEXVNCATDKDBB-MSOLQXFVSA-N 1 2 309.413 3.606 10 0 DHAELO Cc1nc(N[C@H]2CCO[C@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302123216 336349582 /nfs/dbraw/zinc/34/95/82/336349582.db2.gz YSEXVNCATDKDBB-ROUUACIJSA-N 1 2 309.413 3.606 10 0 DHAELO CC(C)c1nccc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000172788836 337131035 /nfs/dbraw/zinc/13/10/35/337131035.db2.gz XOAXWECWMOGHHQ-AWEZNQCLSA-N 1 2 307.401 3.959 10 0 DHAELO C[C@H](NC(=O)CCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173910395 337137525 /nfs/dbraw/zinc/13/75/25/337137525.db2.gz QKGZUCDYGBMAHN-INIZCTEOSA-N 1 2 319.408 3.682 10 0 DHAELO Cc1ccc(CC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000173939386 337137801 /nfs/dbraw/zinc/13/78/01/337137801.db2.gz OQEDJHWPHPDXQR-INIZCTEOSA-N 1 2 319.408 3.601 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2csc(Br)c2)o1 ZINC000220907387 337167162 /nfs/dbraw/zinc/16/71/62/337167162.db2.gz CNTGQWJTTZVXLX-QMMMGPOBSA-N 1 2 301.209 3.658 10 0 DHAELO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181051905 337179495 /nfs/dbraw/zinc/17/94/95/337179495.db2.gz CTKNCPRHGIEBIF-GFCCVEGCSA-N 1 2 318.852 3.929 10 0 DHAELO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181051905 337179496 /nfs/dbraw/zinc/17/94/96/337179496.db2.gz CTKNCPRHGIEBIF-GFCCVEGCSA-N 1 2 318.852 3.929 10 0 DHAELO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3cccs3)no2)cc1 ZINC000182551278 337188826 /nfs/dbraw/zinc/18/88/26/337188826.db2.gz DBHBGVIJHSRQDB-NSHDSACASA-N 1 2 315.398 3.658 10 0 DHAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3csc(C(C)C)n3)C2)c1 ZINC000105901356 337386797 /nfs/dbraw/zinc/38/67/97/337386797.db2.gz OZIXCFZVWJSORJ-HNNXBMFYSA-N 1 2 304.463 3.609 10 0 DHAELO Cc1cnn([C@H]2CCC[N@H+](Cc3csc(C(C)C)n3)C2)c1 ZINC000105901356 337386798 /nfs/dbraw/zinc/38/67/98/337386798.db2.gz OZIXCFZVWJSORJ-HNNXBMFYSA-N 1 2 304.463 3.609 10 0 DHAELO c1coc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000116291297 337392631 /nfs/dbraw/zinc/39/26/31/337392631.db2.gz XXSVJDSSIBGLLV-LBPRGKRZSA-N 1 2 301.371 3.728 10 0 DHAELO c1coc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000116291297 337392632 /nfs/dbraw/zinc/39/26/32/337392632.db2.gz XXSVJDSSIBGLLV-LBPRGKRZSA-N 1 2 301.371 3.728 10 0 DHAELO CC(C)(C)[C@@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)c1cccs1 ZINC000080597021 337680398 /nfs/dbraw/zinc/68/03/98/337680398.db2.gz QGKBPFNPVCJUNF-JSGCOSHPSA-N 1 2 317.458 3.726 10 0 DHAELO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1cccs1 ZINC000080597008 337680435 /nfs/dbraw/zinc/68/04/35/337680435.db2.gz QGKBPFNPVCJUNF-OCCSQVGLSA-N 1 2 317.458 3.726 10 0 DHAELO CCn1cc[nH+]c1CSCc1nc(-c2ccc(F)cc2)no1 ZINC000083632121 337842588 /nfs/dbraw/zinc/84/25/88/337842588.db2.gz YARSKIRKGCLSOK-UHFFFAOYSA-N 1 2 318.377 3.526 10 0 DHAELO COC(=O)c1ccc(Cl)c(NCc2[nH+]ccn2C(C)C)c1C ZINC000185228110 340498987 /nfs/dbraw/zinc/49/89/87/340498987.db2.gz DKCHVBBWSSPIDB-UHFFFAOYSA-N 1 2 321.808 3.825 10 0 DHAELO Cc1cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC000081567512 341296609 /nfs/dbraw/zinc/29/66/09/341296609.db2.gz MNPRGRNGCHADMZ-CQSZACIVSA-N 1 2 314.429 3.705 10 0 DHAELO Cc1cc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC000081567512 341296610 /nfs/dbraw/zinc/29/66/10/341296610.db2.gz MNPRGRNGCHADMZ-CQSZACIVSA-N 1 2 314.429 3.705 10 0 DHAELO CC(C)c1nc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cs1 ZINC000106373896 519863375 /nfs/dbraw/zinc/86/33/75/519863375.db2.gz LSINEEHVMOTYIH-UHFFFAOYSA-N 1 2 318.490 3.682 10 0 DHAELO CC[C@@H](Nc1cccc(-n2nc(C)cc2C)c1)c1[nH+]ccn1C ZINC000182875221 522961065 /nfs/dbraw/zinc/96/10/65/522961065.db2.gz ZGJCZZXMFLNOOC-QGZVFWFLSA-N 1 2 309.417 3.786 10 0 DHAELO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190749555 523092155 /nfs/dbraw/zinc/09/21/55/523092155.db2.gz OJSWDLQYPMDFLV-ROUUACIJSA-N 1 2 317.408 3.567 10 0 DHAELO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190749555 523092163 /nfs/dbraw/zinc/09/21/63/523092163.db2.gz OJSWDLQYPMDFLV-ROUUACIJSA-N 1 2 317.408 3.567 10 0 DHAELO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1O ZINC000127665592 524026506 /nfs/dbraw/zinc/02/65/06/524026506.db2.gz GIPBXPAUKSIBCR-CYBMUJFWSA-N 1 2 304.415 3.585 10 0 DHAELO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1O ZINC000127665592 524026509 /nfs/dbraw/zinc/02/65/09/524026509.db2.gz GIPBXPAUKSIBCR-CYBMUJFWSA-N 1 2 304.415 3.585 10 0 DHAELO Cc1ccc2[nH+]cc(CN3CCCC[C@@H]3c3nccs3)n2c1 ZINC000127745267 526257542 /nfs/dbraw/zinc/25/75/42/526257542.db2.gz OUJAOJWKDDEYGV-OAHLLOKOSA-N 1 2 312.442 3.826 10 0 DHAELO c1csc([C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)c1 ZINC000157737444 526589472 /nfs/dbraw/zinc/58/94/72/526589472.db2.gz YCLCLLVAGKVBAW-QGZVFWFLSA-N 1 2 310.422 3.870 10 0 DHAELO c1csc([C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)c1 ZINC000157737444 526589478 /nfs/dbraw/zinc/58/94/78/526589478.db2.gz YCLCLLVAGKVBAW-QGZVFWFLSA-N 1 2 310.422 3.870 10 0 DHAELO CCCCc1nc(Cl)c(C[NH2+]Cc2ccc(F)cc2F)[nH]1 ZINC000088399190 185248446 /nfs/dbraw/zinc/24/84/46/185248446.db2.gz RDKNAINJRUCLDT-UHFFFAOYSA-N 1 2 313.779 3.974 10 0 DHAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000090225123 185287553 /nfs/dbraw/zinc/28/75/53/185287553.db2.gz OLMPMMKINQOZCA-WFASDCNBSA-N 1 2 310.401 3.827 10 0 DHAELO C[C@]1(c2ccccc2)c2ccccc2N(C[NH+]2CCCCC2)C1=O ZINC000003604509 181039458 /nfs/dbraw/zinc/03/94/58/181039458.db2.gz SVIWCQZMJCTJMJ-NRFANRHFSA-N 1 2 320.436 3.783 10 0 DHAELO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000006696803 181371408 /nfs/dbraw/zinc/37/14/08/181371408.db2.gz KXGRMJZQUWLQCN-UHFFFAOYSA-N 1 2 313.445 3.715 10 0 DHAELO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000091348578 193045194 /nfs/dbraw/zinc/04/51/94/193045194.db2.gz NABTVKYMSFFQPY-LBPRGKRZSA-N 1 2 300.431 3.672 10 0 DHAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1OC ZINC000040295724 183053062 /nfs/dbraw/zinc/05/30/62/183053062.db2.gz KAHAZIAVCQBAIR-UHFFFAOYSA-N 1 2 323.396 3.636 10 0 DHAELO Cc1ccc(Nc2[nH+]cnc(NCc3ccccc3)c2N)cc1 ZINC000040709294 183121350 /nfs/dbraw/zinc/12/13/50/183121350.db2.gz WHOCICAPQGWAOZ-UHFFFAOYSA-N 1 2 305.385 3.723 10 0 DHAELO CCCNc1[nH+]cnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700861 183119775 /nfs/dbraw/zinc/11/97/75/183119775.db2.gz KFWKQGMGIFWPJS-UHFFFAOYSA-N 1 2 312.204 3.931 10 0 DHAELO CCCNc1nc[nH+]c(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700861 183119777 /nfs/dbraw/zinc/11/97/77/183119777.db2.gz KFWKQGMGIFWPJS-UHFFFAOYSA-N 1 2 312.204 3.931 10 0 DHAELO Cc1ccc(CNc2nc[nH+]c(Nc3ccc(F)cc3)c2N)cc1 ZINC000040782457 183133839 /nfs/dbraw/zinc/13/38/39/183133839.db2.gz WZNAUDXWONXRIZ-UHFFFAOYSA-N 1 2 323.375 3.862 10 0 DHAELO Cc1ccc(CNc2[nH+]cnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040782457 183133841 /nfs/dbraw/zinc/13/38/41/183133841.db2.gz WZNAUDXWONXRIZ-UHFFFAOYSA-N 1 2 323.375 3.862 10 0 DHAELO Nc1c(NC2CCCCCC2)[nH+]cnc1-n1cnc2ccccc21 ZINC000040800991 183135394 /nfs/dbraw/zinc/13/53/94/183135394.db2.gz GFXHZLGHJGPEBC-UHFFFAOYSA-N 1 2 322.416 3.532 10 0 DHAELO Brc1ccccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000042251465 183246554 /nfs/dbraw/zinc/24/65/54/183246554.db2.gz UKZXNGOJQJGLJB-LSDHHAIUSA-N 1 2 310.235 3.593 10 0 DHAELO Brc1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000042251465 183246556 /nfs/dbraw/zinc/24/65/56/183246556.db2.gz UKZXNGOJQJGLJB-LSDHHAIUSA-N 1 2 310.235 3.593 10 0 DHAELO Brc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000042251411 183246656 /nfs/dbraw/zinc/24/66/56/183246656.db2.gz PJDSSVRAEPYRGL-GJZGRUSLSA-N 1 2 310.235 3.593 10 0 DHAELO Brc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000042251411 183246657 /nfs/dbraw/zinc/24/66/57/183246657.db2.gz PJDSSVRAEPYRGL-GJZGRUSLSA-N 1 2 310.235 3.593 10 0 DHAELO CC[N@H+](CC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)COC ZINC000042774809 183308047 /nfs/dbraw/zinc/30/80/47/183308047.db2.gz BLJDQDACPUQYOP-JTQLQIEISA-N 1 2 304.217 3.533 10 0 DHAELO CC[N@@H+](CC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)COC ZINC000042774809 183308050 /nfs/dbraw/zinc/30/80/50/183308050.db2.gz BLJDQDACPUQYOP-JTQLQIEISA-N 1 2 304.217 3.533 10 0 DHAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2)cn1 ZINC000311808821 333389751 /nfs/dbraw/zinc/38/97/51/333389751.db2.gz LNVPZRSKADMIRK-HNNXBMFYSA-N 1 2 320.234 3.520 10 0 DHAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2)cn1 ZINC000311808821 333389753 /nfs/dbraw/zinc/38/97/53/333389753.db2.gz LNVPZRSKADMIRK-HNNXBMFYSA-N 1 2 320.234 3.520 10 0 DHAELO Cc1nccnc1[C@H](C)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000188409516 334707772 /nfs/dbraw/zinc/70/77/72/334707772.db2.gz YIAJAZZYXNTYTD-LBPRGKRZSA-N 1 2 313.792 3.797 10 0 DHAELO Cc1cc(N2CC[C@@H](Oc3cccnc3)C2)c2cccc(F)c2[nH+]1 ZINC000130315653 334923043 /nfs/dbraw/zinc/92/30/43/334923043.db2.gz XCQFRGCFLVIEQI-OAHLLOKOSA-N 1 2 323.371 3.735 10 0 DHAELO CCc1ccc(CN(Cc2cccnc2)c2cc(C)[nH+]cn2)cc1 ZINC000302008920 336342844 /nfs/dbraw/zinc/34/28/44/336342844.db2.gz BPPRCQDIRZHJJU-UHFFFAOYSA-N 1 2 318.424 3.949 10 0 DHAELO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1nnc2n1CCCC2 ZINC000173631280 337136950 /nfs/dbraw/zinc/13/69/50/337136950.db2.gz HZDRTVXUTPSWKW-VXGBXAGGSA-N 1 2 304.825 3.680 10 0 DHAELO C[C@@H](NC(=O)c1ccc(Cl)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173912157 337137514 /nfs/dbraw/zinc/13/75/14/337137514.db2.gz PAXXPLQWSBEDBH-LLVKDONJSA-N 1 2 315.760 3.610 10 0 DHAELO Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000173932866 337137593 /nfs/dbraw/zinc/13/75/93/337137593.db2.gz RMMDPXLFXKVGLX-CYBMUJFWSA-N 1 2 311.410 3.733 10 0 DHAELO C[C@@H](NC(=O)CC1=CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173921015 337137612 /nfs/dbraw/zinc/13/76/12/337137612.db2.gz BOIQNRAYASRHAC-OAHLLOKOSA-N 1 2 309.413 3.940 10 0 DHAELO Cc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000173928218 337137642 /nfs/dbraw/zinc/13/76/42/337137642.db2.gz IYLVASRFJJAAFE-AWEZNQCLSA-N 1 2 323.371 3.811 10 0 DHAELO C[C@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1cccc(O)c1 ZINC000174721368 337143341 /nfs/dbraw/zinc/14/33/41/337143341.db2.gz JXNVKNYSUYEEKP-KGLIPLIRSA-N 1 2 312.417 3.592 10 0 DHAELO C[C@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1cccc(O)c1 ZINC000174721368 337143342 /nfs/dbraw/zinc/14/33/42/337143342.db2.gz JXNVKNYSUYEEKP-KGLIPLIRSA-N 1 2 312.417 3.592 10 0 DHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)c(Br)c2)o1 ZINC000227556413 337249474 /nfs/dbraw/zinc/24/94/74/337249474.db2.gz VFUSVTYTJHICEK-NSHDSACASA-N 1 2 309.207 3.905 10 0 DHAELO O[C@H](Cc1c2[nH]cccc2c2c[nH+]cn21)C1CCC2(CC2)CC1 ZINC000584590447 337369463 /nfs/dbraw/zinc/36/94/63/337369463.db2.gz OEDPOSRKYMLFOV-DOTOQJQBSA-N 1 2 309.413 3.569 10 0 DHAELO O[C@H](C[C@H]1c2ncccc2-c2c[nH+]cn21)C1CCC2(CC2)CC1 ZINC000584590447 337369464 /nfs/dbraw/zinc/36/94/64/337369464.db2.gz OEDPOSRKYMLFOV-DOTOQJQBSA-N 1 2 309.413 3.569 10 0 DHAELO Cc1ccc2[nH+]c(CN3CCCC[C@H]3c3nccs3)cn2c1 ZINC000195440244 337466975 /nfs/dbraw/zinc/46/69/75/337466975.db2.gz SVRIKVILQKGMDN-HNNXBMFYSA-N 1 2 312.442 3.826 10 0 DHAELO Cc1cccc(C)c1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000072534665 337547897 /nfs/dbraw/zinc/54/78/97/337547897.db2.gz IJVPAZMTMXSBDC-INIZCTEOSA-N 1 2 319.408 3.980 10 0 DHAELO CCn1cc[nH+]c1C[S@](=O)Cc1ccc(C(C)(C)C)cc1 ZINC000083033654 337992467 /nfs/dbraw/zinc/99/24/67/337992467.db2.gz UJBBQXAMPSTJCI-NRFANRHFSA-N 1 2 304.459 3.649 10 0 DHAELO C[C@@H](NC(=O)c1ccoc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000192323657 340566042 /nfs/dbraw/zinc/56/60/42/340566042.db2.gz RDGLOGZDUGFDRL-LLVKDONJSA-N 1 2 315.760 3.610 10 0 DHAELO C[C@@H](NC(=O)NC[C@@H]1CC=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470983 341207894 /nfs/dbraw/zinc/20/78/94/341207894.db2.gz SQBKVFWNABYNQN-HZPDHXFCSA-N 1 2 324.428 3.589 10 0 DHAELO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)CCS1 ZINC000134344073 341213652 /nfs/dbraw/zinc/21/36/52/341213652.db2.gz CXIIOJVYKWXBCD-SECBINFHSA-N 1 2 304.228 3.526 10 0 DHAELO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)CCS1 ZINC000134344073 341213653 /nfs/dbraw/zinc/21/36/53/341213653.db2.gz CXIIOJVYKWXBCD-SECBINFHSA-N 1 2 304.228 3.526 10 0 DHAELO C[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CCS1 ZINC000134342443 341213557 /nfs/dbraw/zinc/21/35/57/341213557.db2.gz VFRXHLCUYRPSIR-SECBINFHSA-N 1 2 304.228 3.526 10 0 DHAELO C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CCS1 ZINC000134342443 341213558 /nfs/dbraw/zinc/21/35/58/341213558.db2.gz VFRXHLCUYRPSIR-SECBINFHSA-N 1 2 304.228 3.526 10 0 DHAELO CCn1cc[nH+]c1C[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000083033499 341340289 /nfs/dbraw/zinc/34/02/89/341340289.db2.gz DOQNZLWABQUOHM-HSZRJFAPSA-N 1 2 324.449 3.941 10 0 DHAELO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccc1F ZINC000247273062 341363062 /nfs/dbraw/zinc/36/30/62/341363062.db2.gz YDSJLVSISCANCU-KSSFIOAISA-N 1 2 321.342 3.720 10 0 DHAELO Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccc1F ZINC000247273062 341363063 /nfs/dbraw/zinc/36/30/63/341363063.db2.gz YDSJLVSISCANCU-KSSFIOAISA-N 1 2 321.342 3.720 10 0 DHAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000181397571 519763931 /nfs/dbraw/zinc/76/39/31/519763931.db2.gz JLGFEPAOTBVURN-ZDUSSCGKSA-N 1 2 315.417 3.833 10 0 DHAELO CCn1c(C)nnc1C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181614969 523156784 /nfs/dbraw/zinc/15/67/84/523156784.db2.gz WTVIYFNORCQVIM-INIZCTEOSA-N 1 2 322.403 3.762 10 0 DHAELO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)n1 ZINC000183008094 523270600 /nfs/dbraw/zinc/27/06/00/523270600.db2.gz OSTXHSMYBYKDHR-QWHCGFSZSA-N 1 2 311.385 3.781 10 0 DHAELO Cc1ccccc1Cc1noc(C[NH2+][C@H](C)c2cccs2)n1 ZINC000182552312 525208004 /nfs/dbraw/zinc/20/80/04/525208004.db2.gz YTDVGJUPFNLBHL-CYBMUJFWSA-N 1 2 313.426 3.881 10 0 DHAELO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2nnc(C(C)C)n2C)o1 ZINC000158625555 525990289 /nfs/dbraw/zinc/99/02/89/525990289.db2.gz ZDWXLBKDIXLMRX-OAHLLOKOSA-N 1 2 316.449 3.957 10 0 DHAELO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2nnc(C(C)C)n2C)o1 ZINC000158625555 525990299 /nfs/dbraw/zinc/99/02/99/525990299.db2.gz ZDWXLBKDIXLMRX-OAHLLOKOSA-N 1 2 316.449 3.957 10 0 DHAELO Cc1csc([C@H]2C[N@H+](Cc3ccccc3Cl)CCO2)n1 ZINC000157077912 526445767 /nfs/dbraw/zinc/44/57/67/526445767.db2.gz CILSEYFLCYGDRB-CQSZACIVSA-N 1 2 308.834 3.678 10 0 DHAELO Cc1csc([C@H]2C[N@@H+](Cc3ccccc3Cl)CCO2)n1 ZINC000157077912 526445771 /nfs/dbraw/zinc/44/57/71/526445771.db2.gz CILSEYFLCYGDRB-CQSZACIVSA-N 1 2 308.834 3.678 10 0 DHAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2cccs2)c1 ZINC000226254156 563913259 /nfs/dbraw/zinc/91/32/59/563913259.db2.gz YLKOZKJBWKKDNU-UHFFFAOYSA-N 1 2 301.415 3.573 10 0 DHAELO Cc1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1 ZINC000226254413 563913297 /nfs/dbraw/zinc/91/32/97/563913297.db2.gz SQOBLASFOYHQIF-UHFFFAOYSA-N 1 2 309.413 3.820 10 0 DHAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000088559882 185257896 /nfs/dbraw/zinc/25/78/96/185257896.db2.gz ULHZXOISYVPCBR-CABCVRRESA-N 1 2 320.387 3.695 10 0 DHAELO COc1ccc(-c2[nH]c3c(cc(N)cc3Br)[nH+]2)cc1 ZINC000006296978 181326976 /nfs/dbraw/zinc/32/69/76/181326976.db2.gz ANFBOBHCYXJNHW-UHFFFAOYSA-N 1 2 318.174 3.583 10 0 DHAELO C[N@@H+]1CCc2sc(-c3ccc(Br)cc3)nc2C1 ZINC000091691902 193093372 /nfs/dbraw/zinc/09/33/72/193093372.db2.gz CICWSJWUYLDXPV-UHFFFAOYSA-N 1 2 309.232 3.561 10 0 DHAELO C[N@H+]1CCc2sc(-c3ccc(Br)cc3)nc2C1 ZINC000091691902 193093374 /nfs/dbraw/zinc/09/33/74/193093374.db2.gz CICWSJWUYLDXPV-UHFFFAOYSA-N 1 2 309.232 3.561 10 0 DHAELO Cc1cccc(-c2nnc(C[N@@H+]3CCc4ccccc4C3)o2)c1 ZINC000016332779 182040152 /nfs/dbraw/zinc/04/01/52/182040152.db2.gz YCBUDDJDHVQAOM-UHFFFAOYSA-N 1 2 305.381 3.603 10 0 DHAELO Cc1cccc(-c2nnc(C[N@H+]3CCc4ccccc4C3)o2)c1 ZINC000016332779 182040153 /nfs/dbraw/zinc/04/01/53/182040153.db2.gz YCBUDDJDHVQAOM-UHFFFAOYSA-N 1 2 305.381 3.603 10 0 DHAELO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000032098856 182634747 /nfs/dbraw/zinc/63/47/47/182634747.db2.gz KMIYYGARLIZKPI-IBGZPJMESA-N 1 2 324.424 3.577 10 0 DHAELO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000032098856 182634749 /nfs/dbraw/zinc/63/47/49/182634749.db2.gz KMIYYGARLIZKPI-IBGZPJMESA-N 1 2 324.424 3.577 10 0 DHAELO CCCN(CCC)C(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040231373 183048755 /nfs/dbraw/zinc/04/87/55/183048755.db2.gz UALKOPLLHJVYQV-UHFFFAOYSA-N 1 2 301.434 3.808 10 0 DHAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1cccc(F)c1 ZINC000040295548 183052645 /nfs/dbraw/zinc/05/26/45/183052645.db2.gz URYBYGOWUHRZKK-UHFFFAOYSA-N 1 2 311.360 3.739 10 0 DHAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1C ZINC000040295720 183052998 /nfs/dbraw/zinc/05/29/98/183052998.db2.gz OBMCNUJPLABVPP-UHFFFAOYSA-N 1 2 307.397 3.936 10 0 DHAELO CCN(c1ccccc1)c1nc[nH+]c(NC2CCCCC2)c1N ZINC000040679458 183116201 /nfs/dbraw/zinc/11/62/01/183116201.db2.gz CVAUFZAOOAOFJV-UHFFFAOYSA-N 1 2 311.433 3.961 10 0 DHAELO Cc1ccc(Nc2[nH+]cnc(N3CCCCCC3)c2N)cc1C ZINC000040702711 183120306 /nfs/dbraw/zinc/12/03/06/183120306.db2.gz UGNMSAJSDXSZAI-UHFFFAOYSA-N 1 2 311.433 3.800 10 0 DHAELO CC(C)CCNc1nc[nH+]c(Nc2ccc(Cl)cc2)c1N ZINC000040782185 183133997 /nfs/dbraw/zinc/13/39/97/183133997.db2.gz FBGYAFBRZJDGGY-UHFFFAOYSA-N 1 2 305.813 3.914 10 0 DHAELO CC(C)CCNc1[nH+]cnc(Nc2ccc(Cl)cc2)c1N ZINC000040782185 183133998 /nfs/dbraw/zinc/13/39/98/183133998.db2.gz FBGYAFBRZJDGGY-UHFFFAOYSA-N 1 2 305.813 3.914 10 0 DHAELO Cc1cc2c(N)c(Br)c[nH+]c2cc1Br ZINC000041702450 183217579 /nfs/dbraw/zinc/21/75/79/183217579.db2.gz XARNKEXWCBOCQW-UHFFFAOYSA-N 1 2 315.996 3.650 10 0 DHAELO CC[N@H+](CC(=O)c1cc(Cl)sc1Cl)[C@@H](C)COC ZINC000042775377 183307931 /nfs/dbraw/zinc/30/79/31/183307931.db2.gz AMGBCJCRYDCCGW-QMMMGPOBSA-N 1 2 310.246 3.594 10 0 DHAELO CC[N@@H+](CC(=O)c1cc(Cl)sc1Cl)[C@@H](C)COC ZINC000042775377 183307935 /nfs/dbraw/zinc/30/79/35/183307935.db2.gz AMGBCJCRYDCCGW-QMMMGPOBSA-N 1 2 310.246 3.594 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)c1ccccc1F)C2 ZINC000106373906 194201898 /nfs/dbraw/zinc/20/18/98/194201898.db2.gz SOMCCSQLUGTUTA-CYBMUJFWSA-N 1 2 301.409 3.802 10 0 DHAELO Fc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc1OC(F)F ZINC000091978704 332098914 /nfs/dbraw/zinc/09/89/14/332098914.db2.gz PZESPBWGPVAOQI-DZGCQCFKSA-N 1 2 315.335 3.571 10 0 DHAELO Fc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc1OC(F)F ZINC000091978704 332098916 /nfs/dbraw/zinc/09/89/16/332098916.db2.gz PZESPBWGPVAOQI-DZGCQCFKSA-N 1 2 315.335 3.571 10 0 DHAELO c1ccc(OC[C@H]2CCCN(c3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000301252419 336296908 /nfs/dbraw/zinc/29/69/08/336296908.db2.gz ALQFVQQYMGMFSO-HNNXBMFYSA-N 1 2 309.413 3.649 10 0 DHAELO CCO[C@H]1C[C@@H](N(C)c2cc[nH+]c(C3CC3)n2)C12CCCC2 ZINC000301342219 336301597 /nfs/dbraw/zinc/30/15/97/336301597.db2.gz IKUUSKQRRICRCO-CABCVRRESA-N 1 2 301.434 3.528 10 0 DHAELO Fc1ccc2[nH]c(CCNc3cccc(C(F)(F)F)n3)[nH+]c2c1 ZINC000301711412 336324952 /nfs/dbraw/zinc/32/49/52/336324952.db2.gz IBQJWZXKCYSALG-UHFFFAOYSA-N 1 2 324.281 3.770 10 0 DHAELO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(CC)cc2)n1 ZINC000120364131 336909059 /nfs/dbraw/zinc/90/90/59/336909059.db2.gz BBOXSFGRZGSUKU-STQMWFEESA-N 1 2 303.406 3.580 10 0 DHAELO CC(C)n1cccc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000123168409 337038672 /nfs/dbraw/zinc/03/86/72/337038672.db2.gz WJNVPOBHNXJGLX-OAHLLOKOSA-N 1 2 322.412 3.746 10 0 DHAELO Cc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1Cl ZINC000193861098 337079725 /nfs/dbraw/zinc/07/97/25/337079725.db2.gz RHGWGMHWKBNENO-AWEZNQCLSA-N 1 2 308.834 3.678 10 0 DHAELO Cc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1Cl ZINC000193861098 337079726 /nfs/dbraw/zinc/07/97/26/337079726.db2.gz RHGWGMHWKBNENO-AWEZNQCLSA-N 1 2 308.834 3.678 10 0 DHAELO CC(C)c1nc(N2CCC[C@H]2C[C@H](O)c2ccccc2)cc[nH+]1 ZINC000172809221 337131221 /nfs/dbraw/zinc/13/12/21/337131221.db2.gz SQHQNHQSVAREEK-IRXDYDNUSA-N 1 2 311.429 3.693 10 0 DHAELO Cc1ccccc1CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173911298 337137484 /nfs/dbraw/zinc/13/74/84/337137484.db2.gz LXHAGARINNVIES-MRXNPFEDSA-N 1 2 319.408 3.601 10 0 DHAELO C[C@@H](NC(=O)CCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173910405 337137517 /nfs/dbraw/zinc/13/75/17/337137517.db2.gz QKGZUCDYGBMAHN-MRXNPFEDSA-N 1 2 319.408 3.682 10 0 DHAELO Cc1csc([C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)n1 ZINC000177697805 337158541 /nfs/dbraw/zinc/15/85/41/337158541.db2.gz GSNZPKBNVSTNCX-CVEARBPZSA-N 1 2 318.417 3.651 10 0 DHAELO Cc1csc([C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)n1 ZINC000177697805 337158542 /nfs/dbraw/zinc/15/85/42/337158542.db2.gz GSNZPKBNVSTNCX-CVEARBPZSA-N 1 2 318.417 3.651 10 0 DHAELO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000177912721 337159085 /nfs/dbraw/zinc/15/90/85/337159085.db2.gz BTODQWDTEFSSBI-OAHLLOKOSA-N 1 2 321.428 3.685 10 0 DHAELO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccccc3C)no2)cc1 ZINC000181533503 337182856 /nfs/dbraw/zinc/18/28/56/337182856.db2.gz YCVYKBADECAMHY-AWEZNQCLSA-N 1 2 323.396 3.904 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cc2ccccc2o1 ZINC000131133179 337436416 /nfs/dbraw/zinc/43/64/16/337436416.db2.gz CRAIPTLPLIRADW-OLZOCXBDSA-N 1 2 310.401 3.772 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CCCCC1(C)C)C2 ZINC000194106675 340589118 /nfs/dbraw/zinc/58/91/18/340589118.db2.gz VVZQJFXBYAESDZ-AWEZNQCLSA-N 1 2 317.477 3.645 10 0 DHAELO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000130660881 341037695 /nfs/dbraw/zinc/03/76/95/341037695.db2.gz VBERQEFSXUFDDF-HZPDHXFCSA-N 1 2 310.397 3.956 10 0 DHAELO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130660272 341037763 /nfs/dbraw/zinc/03/77/63/341037763.db2.gz VBERQEFSXUFDDF-HOTGVXAUSA-N 1 2 310.397 3.956 10 0 DHAELO CC(C)[C@H](C)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471257 341207978 /nfs/dbraw/zinc/20/79/78/341207978.db2.gz AHOTWFXEAVXYBK-CABCVRRESA-N 1 2 314.433 3.525 10 0 DHAELO CC(C)n1cc[nH+]c1CNc1cc(F)ccc1Br ZINC000124778973 520035134 /nfs/dbraw/zinc/03/51/34/520035134.db2.gz TXAYAFWUCXHUBU-UHFFFAOYSA-N 1 2 312.186 3.978 10 0 DHAELO CCCn1c(C)nnc1C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000159298742 521622790 /nfs/dbraw/zinc/62/27/90/521622790.db2.gz PBSINRBEEBMUTL-HNNXBMFYSA-N 1 2 302.422 3.625 10 0 DHAELO CCCn1c(C)nnc1C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000159298742 521622794 /nfs/dbraw/zinc/62/27/94/521622794.db2.gz PBSINRBEEBMUTL-HNNXBMFYSA-N 1 2 302.422 3.625 10 0 DHAELO CCc1nnc(C[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)n1C ZINC000180260940 522747563 /nfs/dbraw/zinc/74/75/63/522747563.db2.gz NOMLDLYUXXPYQU-INIZCTEOSA-N 1 2 324.831 3.657 10 0 DHAELO COCc1ccc(C[N@@H+]2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000127798068 522972674 /nfs/dbraw/zinc/97/26/74/522972674.db2.gz ABNWVZAJBNFWFN-MRXNPFEDSA-N 1 2 315.417 3.677 10 0 DHAELO COCc1ccc(C[N@H+]2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000127798068 522972698 /nfs/dbraw/zinc/97/26/98/522972698.db2.gz ABNWVZAJBNFWFN-MRXNPFEDSA-N 1 2 315.417 3.677 10 0 DHAELO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000183008512 523269285 /nfs/dbraw/zinc/26/92/85/523269285.db2.gz LHAPERQULMRIJO-CHWSQXEVSA-N 1 2 303.406 3.751 10 0 DHAELO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)n1 ZINC000183008310 523270704 /nfs/dbraw/zinc/27/07/04/523270704.db2.gz OSTXHSMYBYKDHR-CHWSQXEVSA-N 1 2 311.385 3.781 10 0 DHAELO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000183008501 523275271 /nfs/dbraw/zinc/27/52/71/523275271.db2.gz LHAPERQULMRIJO-STQMWFEESA-N 1 2 303.406 3.751 10 0 DHAELO CCn1cc([C@H]2C[N@@H+]([C@@H](C)c3cccc(Cl)c3)CCO2)cn1 ZINC000190768091 523482392 /nfs/dbraw/zinc/48/23/92/523482392.db2.gz SHMKDDCFKHDAEO-SUMWQHHRSA-N 1 2 319.836 3.691 10 0 DHAELO CCn1cc([C@H]2C[N@H+]([C@@H](C)c3cccc(Cl)c3)CCO2)cn1 ZINC000190768091 523482402 /nfs/dbraw/zinc/48/24/02/523482402.db2.gz SHMKDDCFKHDAEO-SUMWQHHRSA-N 1 2 319.836 3.691 10 0 DHAELO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c(OC)c1 ZINC000127617931 524026404 /nfs/dbraw/zinc/02/64/04/524026404.db2.gz FPFOPWJLSKSBTC-OAHLLOKOSA-N 1 2 318.442 3.888 10 0 DHAELO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)c(OC)c1 ZINC000127617931 524026410 /nfs/dbraw/zinc/02/64/10/524026410.db2.gz FPFOPWJLSKSBTC-OAHLLOKOSA-N 1 2 318.442 3.888 10 0 DHAELO C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000190786152 525016088 /nfs/dbraw/zinc/01/60/88/525016088.db2.gz YLUWZDFELILMPT-CXAGYDPISA-N 1 2 312.369 3.628 10 0 DHAELO Cc1ccccc1[C@H](C)[NH2+]Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000181545291 525417993 /nfs/dbraw/zinc/41/79/93/525417993.db2.gz RBCXDDVHJQAICI-LSDHHAIUSA-N 1 2 317.433 3.962 10 0 DHAELO C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000190786169 525558808 /nfs/dbraw/zinc/55/88/08/525558808.db2.gz YLUWZDFELILMPT-SUMWQHHRSA-N 1 2 312.369 3.628 10 0 DHAELO O=C(Nc1cccc2ccccc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176343616 527383027 /nfs/dbraw/zinc/38/30/27/527383027.db2.gz SNMIDMAVUHYJKC-MRXNPFEDSA-N 1 2 320.396 3.733 10 0 DHAELO CC1CC[NH+](c2ccc(N)cc2NC(=O)Cc2ccccc2)CC1 ZINC000226253759 563913360 /nfs/dbraw/zinc/91/33/60/563913360.db2.gz FTRDTQXUPCIUBU-UHFFFAOYSA-N 1 2 323.440 3.686 10 0 DHAELO Cc1nc(C[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)cs1 ZINC000076726213 185036019 /nfs/dbraw/zinc/03/60/19/185036019.db2.gz BSYRUGCZJSZXAN-MRXNPFEDSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1nc(C[N@H+]2C[C@H](c3ccccc3)OCC2(C)C)cs1 ZINC000076726213 185036022 /nfs/dbraw/zinc/03/60/22/185036022.db2.gz BSYRUGCZJSZXAN-MRXNPFEDSA-N 1 2 302.443 3.804 10 0 DHAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000090225119 185287577 /nfs/dbraw/zinc/28/75/77/185287577.db2.gz OLMPMMKINQOZCA-SWLSCSKDSA-N 1 2 310.401 3.827 10 0 DHAELO O=C(Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000015863721 182022665 /nfs/dbraw/zinc/02/26/65/182022665.db2.gz OYBVCNFIOLYVPU-UHFFFAOYSA-N 1 2 305.381 3.697 10 0 DHAELO Cc1cc2[nH+]c(CCO)n(Cc3ccccc3Cl)c2cc1C ZINC000040310672 183053322 /nfs/dbraw/zinc/05/33/22/183053322.db2.gz BDQNQPPFIHVDHB-UHFFFAOYSA-N 1 2 314.816 3.890 10 0 DHAELO Cc1ccc(OCCn2c(CCO)[nH+]c3cc(C)c(C)cc32)cc1 ZINC000040310808 183053715 /nfs/dbraw/zinc/05/37/15/183053715.db2.gz UKLYOLQUPPOJDD-UHFFFAOYSA-N 1 2 324.424 3.575 10 0 DHAELO CCCNc1[nH+]cnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040707750 183121335 /nfs/dbraw/zinc/12/13/35/183121335.db2.gz INPHYLGWKDDVRK-UHFFFAOYSA-N 1 2 312.204 3.931 10 0 DHAELO Nc1c(NC2CCCCCC2)[nH+]cnc1N1CCc2ccccc21 ZINC000040687452 183118003 /nfs/dbraw/zinc/11/80/03/183118003.db2.gz XQSCQJUCVZUNNO-UHFFFAOYSA-N 1 2 323.444 3.888 10 0 DHAELO CC(C)Nc1[nH+]cnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703952 183120015 /nfs/dbraw/zinc/12/00/15/183120015.db2.gz WVOYZQIHANCOBU-UHFFFAOYSA-N 1 2 312.204 3.930 10 0 DHAELO CC(C)Nc1nc[nH+]c(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703952 183120017 /nfs/dbraw/zinc/12/00/17/183120017.db2.gz WVOYZQIHANCOBU-UHFFFAOYSA-N 1 2 312.204 3.930 10 0 DHAELO Nc1c(Nc2ccc(Cl)c(Cl)c2)[nH+]cnc1N1CCCC1 ZINC000040703970 183120273 /nfs/dbraw/zinc/12/02/73/183120273.db2.gz IIVJXHZHKGJWAR-UHFFFAOYSA-N 1 2 324.215 3.709 10 0 DHAELO Nc1c(Nc2ccc(Cl)c(Cl)c2)nc[nH+]c1N1CCCC1 ZINC000040703970 183120275 /nfs/dbraw/zinc/12/02/75/183120275.db2.gz IIVJXHZHKGJWAR-UHFFFAOYSA-N 1 2 324.215 3.709 10 0 DHAELO CC(C)CCNc1[nH+]cnc(Nc2cccc3cccnc32)c1N ZINC000040758434 183129345 /nfs/dbraw/zinc/12/93/45/183129345.db2.gz ATIYPKDKXOYHTO-UHFFFAOYSA-N 1 2 322.416 3.809 10 0 DHAELO c1ccc(CNc2nc(N3CCCC3)[nH+]c3ccccc32)cc1 ZINC000041151054 183178504 /nfs/dbraw/zinc/17/85/04/183178504.db2.gz AFFHLSKOOIPDNZ-UHFFFAOYSA-N 1 2 304.397 3.842 10 0 DHAELO Brc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000042251278 183246524 /nfs/dbraw/zinc/24/65/24/183246524.db2.gz MPFJULWFPPIGOL-GJZGRUSLSA-N 1 2 310.235 3.593 10 0 DHAELO Brc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000042251278 183246526 /nfs/dbraw/zinc/24/65/26/183246526.db2.gz MPFJULWFPPIGOL-GJZGRUSLSA-N 1 2 310.235 3.593 10 0 DHAELO CC[N@H+](CC(=O)c1ccc(Cl)cc1Cl)[C@H](C)COC ZINC000042775020 183307987 /nfs/dbraw/zinc/30/79/87/183307987.db2.gz IGACYEINOKUHDH-SNVBAGLBSA-N 1 2 304.217 3.533 10 0 DHAELO CC[N@@H+](CC(=O)c1ccc(Cl)cc1Cl)[C@H](C)COC ZINC000042775020 183307989 /nfs/dbraw/zinc/30/79/89/183307989.db2.gz IGACYEINOKUHDH-SNVBAGLBSA-N 1 2 304.217 3.533 10 0 DHAELO COc1ccc([C@H](C)Nc2[nH+]c3ccccc3n2C)cc1OC ZINC000172156422 332817956 /nfs/dbraw/zinc/81/79/56/332817956.db2.gz SBFOUAYRKPRIKK-LBPRGKRZSA-N 1 2 311.385 3.764 10 0 DHAELO Clc1nc2ccccc2cc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000042292997 332241197 /nfs/dbraw/zinc/24/11/97/332241197.db2.gz SQDAIVKUTDXAPZ-HOTGVXAUSA-N 1 2 302.805 3.642 10 0 DHAELO Clc1nc2ccccc2cc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000042292997 332241199 /nfs/dbraw/zinc/24/11/99/332241199.db2.gz SQDAIVKUTDXAPZ-HOTGVXAUSA-N 1 2 302.805 3.642 10 0 DHAELO CC(C)n1cc[nH+]c1C[S@](=O)CCc1ccccc1Cl ZINC000176883907 332961051 /nfs/dbraw/zinc/96/10/51/332961051.db2.gz FPPKIAGPEAQXTI-HXUWFJFHSA-N 1 2 310.850 3.609 10 0 DHAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180996032 333166546 /nfs/dbraw/zinc/16/65/46/333166546.db2.gz QJEYYMBQSIMWRQ-INIZCTEOSA-N 1 2 324.384 3.597 10 0 DHAELO FC(F)c1nc2ccccc2c(N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000329308615 335962327 /nfs/dbraw/zinc/96/23/27/335962327.db2.gz ZWWHEJSZGLTBPR-GFCCVEGCSA-N 1 2 315.327 3.632 10 0 DHAELO Brc1csc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043687345 336270102 /nfs/dbraw/zinc/27/01/02/336270102.db2.gz OTIPZFMFFMTLPG-STQMWFEESA-N 1 2 316.264 3.654 10 0 DHAELO Brc1csc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043687345 336270103 /nfs/dbraw/zinc/27/01/03/336270103.db2.gz OTIPZFMFFMTLPG-STQMWFEESA-N 1 2 316.264 3.654 10 0 DHAELO Cc1ccc(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)s1 ZINC000301266534 336297674 /nfs/dbraw/zinc/29/76/74/336297674.db2.gz UFRVXTFMMFVXRY-GFCCVEGCSA-N 1 2 302.447 3.695 10 0 DHAELO Cc1ccc(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)s1 ZINC000301266534 336297675 /nfs/dbraw/zinc/29/76/75/336297675.db2.gz UFRVXTFMMFVXRY-GFCCVEGCSA-N 1 2 302.447 3.695 10 0 DHAELO CCC1(CC)CN(c2[nH+]c3ccccc3cc2C)CC[S@@]1=O ZINC000302216467 336354311 /nfs/dbraw/zinc/35/43/11/336354311.db2.gz IPSUIBFGIYGQSM-QFIPXVFZSA-N 1 2 316.470 3.671 10 0 DHAELO COc1cccc2c1[nH+]cc(C)c2N1CCC(c2cc[nH]n2)CC1 ZINC000302635941 336363220 /nfs/dbraw/zinc/36/32/20/336363220.db2.gz KEXHZUQDVRQVBX-UHFFFAOYSA-N 1 2 322.412 3.659 10 0 DHAELO Cc1csc([C@H]2C[N@H+](Cc3ccc(C)c(Cl)c3)CCO2)n1 ZINC000193847679 337079592 /nfs/dbraw/zinc/07/95/92/337079592.db2.gz GLNSSWGWCKMDCC-OAHLLOKOSA-N 1 2 322.861 3.987 10 0 DHAELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(C)c(Cl)c3)CCO2)n1 ZINC000193847679 337079593 /nfs/dbraw/zinc/07/95/93/337079593.db2.gz GLNSSWGWCKMDCC-OAHLLOKOSA-N 1 2 322.861 3.987 10 0 DHAELO Fc1cccc([C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)c1 ZINC000172417312 337128865 /nfs/dbraw/zinc/12/88/65/337128865.db2.gz DSALKFALCSHMMM-HXUWFJFHSA-N 1 2 322.383 3.947 10 0 DHAELO Fc1cccc([C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)c1 ZINC000172417312 337128866 /nfs/dbraw/zinc/12/88/66/337128866.db2.gz DSALKFALCSHMMM-HXUWFJFHSA-N 1 2 322.383 3.947 10 0 DHAELO c1coc([C@@H]2CCC[N@H+]2Cc2nc(CCc3ccccc3)no2)c1 ZINC000173759481 337135990 /nfs/dbraw/zinc/13/59/90/337135990.db2.gz RKJQIGNVGMPVTE-INIZCTEOSA-N 1 2 323.396 3.785 10 0 DHAELO c1coc([C@@H]2CCC[N@@H+]2Cc2nc(CCc3ccccc3)no2)c1 ZINC000173759481 337135991 /nfs/dbraw/zinc/13/59/91/337135991.db2.gz RKJQIGNVGMPVTE-INIZCTEOSA-N 1 2 323.396 3.785 10 0 DHAELO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000173621609 337136842 /nfs/dbraw/zinc/13/68/42/337136842.db2.gz KMGXMIHIZRSLRL-ABAIWWIYSA-N 1 2 320.387 3.695 10 0 DHAELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1ccc2ccccc2c1 ZINC000176941385 337153873 /nfs/dbraw/zinc/15/38/73/337153873.db2.gz DANFRQBELBWFNN-UHFFFAOYSA-N 1 2 314.410 3.591 10 0 DHAELO COCc1nc(C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000182787109 337189878 /nfs/dbraw/zinc/18/98/78/337189878.db2.gz SNIGNFKNKHMWAR-AWEZNQCLSA-N 1 2 323.396 3.734 10 0 DHAELO C[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000183532119 337192079 /nfs/dbraw/zinc/19/20/79/337192079.db2.gz QGISDGZHQQIALX-RBSFLKMASA-N 1 2 303.450 3.926 10 0 DHAELO C[C@@H]1C[C@H](C(=O)NCCCCNc2cccc[nH+]2)CC(C)(C)C1 ZINC000183662910 337194020 /nfs/dbraw/zinc/19/40/20/337194020.db2.gz PLTNCSGLMJKKLT-CVEARBPZSA-N 1 2 317.477 3.852 10 0 DHAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183989902 337194252 /nfs/dbraw/zinc/19/42/52/337194252.db2.gz YPRSKZDSDUBQJE-HUUCEWRRSA-N 1 2 305.466 3.618 10 0 DHAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183989918 337194271 /nfs/dbraw/zinc/19/42/71/337194271.db2.gz YPRSKZDSDUBQJE-LSDHHAIUSA-N 1 2 305.466 3.618 10 0 DHAELO O=C(Cc1cccc2[nH+]ccn21)Nc1ccc(C(F)(F)F)cc1 ZINC000584605176 337371491 /nfs/dbraw/zinc/37/14/91/337371491.db2.gz HOWSAQDWRUJZJJ-UHFFFAOYSA-N 1 2 319.286 3.534 10 0 DHAELO COC(=O)c1ccc(-c2c[nH+]cn2CCc2ccc(F)cc2)cc1 ZINC000584598524 337374536 /nfs/dbraw/zinc/37/45/36/337374536.db2.gz SVTXCQUCLFGHML-UHFFFAOYSA-N 1 2 324.355 3.719 10 0 DHAELO Cc1cccc2[nH+]c(CN3CCCC[C@H]3c3nccs3)cn21 ZINC000195359511 337466199 /nfs/dbraw/zinc/46/61/99/337466199.db2.gz GHHDPZNENVDAGX-HNNXBMFYSA-N 1 2 312.442 3.826 10 0 DHAELO CCn1c(SCc2[nH+]ccn2C(C)C)nnc1-c1ccco1 ZINC000195516461 337468062 /nfs/dbraw/zinc/46/80/62/337468062.db2.gz ZCSLMCUGPAAPOQ-UHFFFAOYSA-N 1 2 317.418 3.628 10 0 DHAELO C[C@@H](NC(=O)Nc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174173831 340383585 /nfs/dbraw/zinc/38/35/85/340383585.db2.gz XFPHSDJUKMXCOE-CYBMUJFWSA-N 1 2 324.359 3.894 10 0 DHAELO C[C@H](NC(=O)NC[C@H]1CC=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470980 341207886 /nfs/dbraw/zinc/20/78/86/341207886.db2.gz SQBKVFWNABYNQN-HOTGVXAUSA-N 1 2 324.428 3.589 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc([C@H]3C[C@@H]3C)o1)C2 ZINC000123323120 519869171 /nfs/dbraw/zinc/86/91/71/519869171.db2.gz VIHKMDSVDRPTFA-ZFWWWQNUSA-N 1 2 313.445 3.818 10 0 DHAELO CCn1c(C[NH2+][C@H](C)c2ccc(C)o2)nc2c1cccc2F ZINC000182571584 523196339 /nfs/dbraw/zinc/19/63/39/523196339.db2.gz POFOPXYZLQRHQT-GFCCVEGCSA-N 1 2 301.365 3.948 10 0 DHAELO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc3ccccc3c2)n1 ZINC000181489219 523486910 /nfs/dbraw/zinc/48/69/10/523486910.db2.gz UOUTYMXYXDMRLC-OLZOCXBDSA-N 1 2 311.385 3.781 10 0 DHAELO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(F)c(Cl)c1 ZINC000190863273 525473743 /nfs/dbraw/zinc/47/37/43/525473743.db2.gz FJWJZOUZRTXJAT-JTQLQIEISA-N 1 2 310.804 3.676 10 0 DHAELO CCc1cc(Nc2ccc(Cl)c(C[S@@](C)=O)c2)nc(C)[nH+]1 ZINC000272834659 536152986 /nfs/dbraw/zinc/15/29/86/536152986.db2.gz HJWDWRLMAHENEK-OAQYLSRUSA-N 1 2 323.849 3.623 10 0 DHAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(F)cc1 ZINC000226261110 563913195 /nfs/dbraw/zinc/91/31/95/563913195.db2.gz QMKXRBMSPQKEFN-UHFFFAOYSA-N 1 2 301.365 3.506 10 0 DHAELO Cc1ccc(-c2[nH+]c3c(Br)cccn3c2N)cc1 ZINC000082695860 185195913 /nfs/dbraw/zinc/19/59/13/185195913.db2.gz FSPBYTMPMBUHHJ-UHFFFAOYSA-N 1 2 302.175 3.654 10 0 DHAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000088559881 185258086 /nfs/dbraw/zinc/25/80/86/185258086.db2.gz ULHZXOISYVPCBR-LSDHHAIUSA-N 1 2 320.387 3.695 10 0 DHAELO COc1ccc(-c2c[nH+]c(C)nc2NC2CCCC2)cc1OC ZINC000090526793 185300689 /nfs/dbraw/zinc/30/06/89/185300689.db2.gz NTEWQFRZQLOYMT-UHFFFAOYSA-N 1 2 313.401 3.824 10 0 DHAELO C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000092790096 185341577 /nfs/dbraw/zinc/34/15/77/185341577.db2.gz KMNKUDYESWWJLQ-QXSWTLKVSA-N 1 2 314.454 3.928 10 0 DHAELO C/C(=C/c1ccccc1)C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000092790096 185341578 /nfs/dbraw/zinc/34/15/78/185341578.db2.gz KMNKUDYESWWJLQ-QXSWTLKVSA-N 1 2 314.454 3.928 10 0 DHAELO Cc1cc(NC[C@H](C)Nc2ccccc2)nc(-c2cccnc2)[nH+]1 ZINC000133341411 334957629 /nfs/dbraw/zinc/95/76/29/334957629.db2.gz APXVTHSQKDJNPZ-HNNXBMFYSA-N 1 2 319.412 3.760 10 0 DHAELO Cc1cc(Cl)ccc1NC(=O)CNc1ccc([NH+](C)C)cc1 ZINC000005215200 181217934 /nfs/dbraw/zinc/21/79/34/181217934.db2.gz GOKVKYBSPUKFMK-UHFFFAOYSA-N 1 2 317.820 3.765 10 0 DHAELO [NH3+][C@H]1c2ccsc2N=CN1c1cccc(Br)c1 ZINC000257351035 203068811 /nfs/dbraw/zinc/06/88/11/203068811.db2.gz BTNTUUZARXLUEV-LLVKDONJSA-N 1 2 308.204 3.648 10 0 DHAELO [NH3+][C@@H]1c2ccsc2N=CN1c1ccc(Br)cc1 ZINC000257352524 203069178 /nfs/dbraw/zinc/06/91/78/203069178.db2.gz LUEFDISPHKQGKH-NSHDSACASA-N 1 2 308.204 3.648 10 0 DHAELO CCN(CC)c1[nH+]cnc(Nc2cccc3nc(C)ccc32)c1N ZINC000096328192 193613377 /nfs/dbraw/zinc/61/33/77/193613377.db2.gz QCZKDFZXWJSZFK-UHFFFAOYSA-N 1 2 322.416 3.505 10 0 DHAELO CC(C)(C)c1nc([C@@H]([NH3+])c2cc(Cl)cc(Cl)c2)no1 ZINC000037425140 182892118 /nfs/dbraw/zinc/89/21/18/182892118.db2.gz OTUSIJHWPVNMKC-JTQLQIEISA-N 1 2 300.189 3.722 10 0 DHAELO CC(C)(C)Nc1[nH+]cnc(Nc2cccc3cccnc32)c1N ZINC000040680539 183117114 /nfs/dbraw/zinc/11/71/14/183117114.db2.gz VRYFREODWHNTBE-UHFFFAOYSA-N 1 2 308.389 3.561 10 0 DHAELO CCc1ccccc1Nc1[nH+]cnc(N2CCCCCC2)c1N ZINC000040688194 183117699 /nfs/dbraw/zinc/11/76/99/183117699.db2.gz SVYQFRLPJSXYQZ-UHFFFAOYSA-N 1 2 311.433 3.745 10 0 DHAELO Nc1c(NCc2ccccc2)nc[nH+]c1Nc1ccc(F)cc1 ZINC000040709298 183120625 /nfs/dbraw/zinc/12/06/25/183120625.db2.gz MCDJVKUOZWEDEG-UHFFFAOYSA-N 1 2 309.348 3.554 10 0 DHAELO Nc1c(Nc2ccc(F)cc2)nc[nH+]c1NCc1ccccc1 ZINC000040709298 183120628 /nfs/dbraw/zinc/12/06/28/183120628.db2.gz MCDJVKUOZWEDEG-UHFFFAOYSA-N 1 2 309.348 3.554 10 0 DHAELO Cc1cc2[nH+]c(Cc3ccccc3)cn2cc1Br ZINC000062431811 184236148 /nfs/dbraw/zinc/23/61/48/184236148.db2.gz AWBWGGINKOZNQF-UHFFFAOYSA-N 1 2 301.187 3.996 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(Br)ccc2C)o1 ZINC000313685586 332817154 /nfs/dbraw/zinc/81/71/54/332817154.db2.gz AHLPNSIVNCCTTH-LLVKDONJSA-N 1 2 309.207 3.905 10 0 DHAELO CCc1nc(C2([NH2+]C/C=C\c3ccc(F)cc3)CCCC2)no1 ZINC000255834603 331806844 /nfs/dbraw/zinc/80/68/44/331806844.db2.gz PXIXXMGGZNDBTA-WAYWQWQTSA-N 1 2 315.392 3.843 10 0 DHAELO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)n1C ZINC000180738346 333164924 /nfs/dbraw/zinc/16/49/24/333164924.db2.gz AWVCVNRCGHLHEO-JTQLQIEISA-N 1 2 310.804 3.582 10 0 DHAELO Cc1ccccc1[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccccc1 ZINC000187714849 334269539 /nfs/dbraw/zinc/26/95/39/334269539.db2.gz QDKBBKRCSVZYRD-IBGZPJMESA-N 1 2 320.392 3.566 10 0 DHAELO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(C(C)(C)C)cc1 ZINC000052445082 335791874 /nfs/dbraw/zinc/79/18/74/335791874.db2.gz XYMVBNKXSVEISJ-GFCCVEGCSA-N 1 2 309.417 3.834 10 0 DHAELO C[C@H](Nc1ccc2ccccc2[nH+]1)C(=O)N1CCc2ccccc21 ZINC000301194290 336294247 /nfs/dbraw/zinc/29/42/47/336294247.db2.gz TUQBCYGTWXFTBS-AWEZNQCLSA-N 1 2 317.392 3.625 10 0 DHAELO CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301575168 336316063 /nfs/dbraw/zinc/31/60/63/336316063.db2.gz SISFYYQPDPJVOU-ZSMADZGOSA-N 1 2 320.380 3.592 10 0 DHAELO Clc1ccc2c(c1)CC[C@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302880116 336372946 /nfs/dbraw/zinc/37/29/46/336372946.db2.gz HHMWIORHQGYSNG-OAHLLOKOSA-N 1 2 314.820 3.830 10 0 DHAELO Clc1ccc2c(c1)CC[C@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302880116 336372947 /nfs/dbraw/zinc/37/29/47/336372947.db2.gz HHMWIORHQGYSNG-OAHLLOKOSA-N 1 2 314.820 3.830 10 0 DHAELO CCc1oc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000120527955 336914750 /nfs/dbraw/zinc/91/47/50/336914750.db2.gz NXUSNPCQQVVLGM-AWEZNQCLSA-N 1 2 323.396 3.827 10 0 DHAELO CC(C)n1cccc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000123168211 337038724 /nfs/dbraw/zinc/03/87/24/337038724.db2.gz WJNVPOBHNXJGLX-HNNXBMFYSA-N 1 2 322.412 3.746 10 0 DHAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)o1 ZINC000171234601 337086141 /nfs/dbraw/zinc/08/61/41/337086141.db2.gz ZMAWMGBXYFDQTE-LLVKDONJSA-N 1 2 301.321 3.628 10 0 DHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(F)cc(Br)c2)o1 ZINC000220916228 337167076 /nfs/dbraw/zinc/16/70/76/337167076.db2.gz FBCLJHHWGNDTTD-SECBINFHSA-N 1 2 313.170 3.735 10 0 DHAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2ncnn2CC(C)C)o1 ZINC000182808609 337188339 /nfs/dbraw/zinc/18/83/39/337188339.db2.gz PSXNXJYALCJFAV-INIZCTEOSA-N 1 2 316.449 3.817 10 0 DHAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2ncnn2CC(C)C)o1 ZINC000182808609 337188340 /nfs/dbraw/zinc/18/83/40/337188340.db2.gz PSXNXJYALCJFAV-INIZCTEOSA-N 1 2 316.449 3.817 10 0 DHAELO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000183570483 337192331 /nfs/dbraw/zinc/19/23/31/337192331.db2.gz IOIMGUUATDJXJP-QWRGUYRKSA-N 1 2 320.380 3.614 10 0 DHAELO Cc1nc(C(F)(F)F)c(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000183570483 337192332 /nfs/dbraw/zinc/19/23/32/337192332.db2.gz IOIMGUUATDJXJP-QWRGUYRKSA-N 1 2 320.380 3.614 10 0 DHAELO Fc1ccc([C@@H](N[C@H]2CCOc3ccccc32)c2[nH]cc[nH+]2)cc1 ZINC000187697764 337269214 /nfs/dbraw/zinc/26/92/14/337269214.db2.gz QRPFHXKZSLOVJL-FUHWJXTLSA-N 1 2 323.371 3.752 10 0 DHAELO Fc1ccc([C@@H]([NH2+][C@H]2CCOc3ccccc32)c2ncc[nH]2)cc1 ZINC000187697764 337269215 /nfs/dbraw/zinc/26/92/15/337269215.db2.gz QRPFHXKZSLOVJL-FUHWJXTLSA-N 1 2 323.371 3.752 10 0 DHAELO C[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccc(F)c(F)c1 ZINC000112537275 337390569 /nfs/dbraw/zinc/39/05/69/337390569.db2.gz QYZRKCULQDMDJM-VIFPVBQESA-N 1 2 321.352 3.927 10 0 DHAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1Cl ZINC000130890172 337434899 /nfs/dbraw/zinc/43/48/99/337434899.db2.gz ILVBZMDTZDNYDY-MNOVXSKESA-N 1 2 322.815 3.819 10 0 DHAELO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1F ZINC000130892099 337434949 /nfs/dbraw/zinc/43/49/49/337434949.db2.gz XXFKVMFKIINOHR-NHYWBVRUSA-N 1 2 320.387 3.695 10 0 DHAELO CCn1cc[nH+]c1CSc1ncnc2sc(C)c(C)c21 ZINC000195516870 337468068 /nfs/dbraw/zinc/46/80/68/337468068.db2.gz YXCDMQJNHPXPAT-UHFFFAOYSA-N 1 2 304.444 3.817 10 0 DHAELO C[C@@H](NC(=O)NCCC1=CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000121733838 337898578 /nfs/dbraw/zinc/89/85/78/337898578.db2.gz FZKSGZLNGJOHGN-OAHLLOKOSA-N 1 2 324.428 3.733 10 0 DHAELO CCc1nc(C2([NH2+]C/C=C/c3ccc(F)cc3)CCCC2)no1 ZINC000127487797 340851766 /nfs/dbraw/zinc/85/17/66/340851766.db2.gz PXIXXMGGZNDBTA-AATRIKPKSA-N 1 2 315.392 3.843 10 0 DHAELO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000183102836 519546848 /nfs/dbraw/zinc/54/68/48/519546848.db2.gz ANLLUGFLGNCAAV-LLVKDONJSA-N 1 2 310.804 3.577 10 0 DHAELO CC(=O)Nc1nc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)o2)cs1 ZINC000130927226 519752371 /nfs/dbraw/zinc/75/23/71/519752371.db2.gz AVJYMKZNPZDRFG-CQSZACIVSA-N 1 2 319.430 3.730 10 0 DHAELO CC(=O)Nc1nc(C[N@H+]2CCCC[C@@H]2c2ccc(C)o2)cs1 ZINC000130927226 519752373 /nfs/dbraw/zinc/75/23/73/519752373.db2.gz AVJYMKZNPZDRFG-CQSZACIVSA-N 1 2 319.430 3.730 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc3ccccc3n1)C2 ZINC000124679005 519868712 /nfs/dbraw/zinc/86/87/12/519868712.db2.gz DAQSKVWJSIMHCH-UHFFFAOYSA-N 1 2 320.440 3.650 10 0 DHAELO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000183008481 523274543 /nfs/dbraw/zinc/27/45/43/523274543.db2.gz LHAPERQULMRIJO-OLZOCXBDSA-N 1 2 303.406 3.751 10 0 DHAELO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)n1 ZINC000181489158 523922930 /nfs/dbraw/zinc/92/29/30/523922930.db2.gz UOUTYMXYXDMRLC-QWHCGFSZSA-N 1 2 311.385 3.781 10 0 DHAELO Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(C)[nH+]1 ZINC000176739062 525177728 /nfs/dbraw/zinc/17/77/28/525177728.db2.gz ZUVVGZMSPLOASG-SNVBAGLBSA-N 1 2 305.328 3.859 10 0 DHAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)c(F)c3)no2)o1 ZINC000182579853 525737102 /nfs/dbraw/zinc/73/71/02/525737102.db2.gz YUDYOMOSLCVOON-SNVBAGLBSA-N 1 2 319.311 3.767 10 0 DHAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc(F)c(C)c3)no2)o1 ZINC000182564227 525930790 /nfs/dbraw/zinc/93/07/90/525930790.db2.gz JGMVDYNLYOTJMZ-LBPRGKRZSA-N 1 2 315.348 3.936 10 0 DHAELO Cc1csc([C@H]2C[N@H+](C/C=C/c3ccccc3)CCO2)n1 ZINC000157776568 526444109 /nfs/dbraw/zinc/44/41/09/526444109.db2.gz WHHUOSFVFWRJSA-CDVVCGDMSA-N 1 2 300.427 3.538 10 0 DHAELO Cc1csc([C@H]2C[N@@H+](C/C=C/c3ccccc3)CCO2)n1 ZINC000157776568 526444113 /nfs/dbraw/zinc/44/41/13/526444113.db2.gz WHHUOSFVFWRJSA-CDVVCGDMSA-N 1 2 300.427 3.538 10 0 DHAELO Cc1nc([C@H]2[NH2+]CCc3sccc32)sc1Br ZINC000719295172 563477696 /nfs/dbraw/zinc/47/76/96/563477696.db2.gz WVOYREPHWUCKKH-VIFPVBQESA-N 1 2 315.261 3.511 10 0 DHAELO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)s1 ZINC000092811932 185343234 /nfs/dbraw/zinc/34/32/34/185343234.db2.gz HWXUDFPLSZOTMD-HNNXBMFYSA-N 1 2 316.474 3.712 10 0 DHAELO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)s1 ZINC000092811932 185343235 /nfs/dbraw/zinc/34/32/35/185343235.db2.gz HWXUDFPLSZOTMD-HNNXBMFYSA-N 1 2 316.474 3.712 10 0 DHAELO COc1ccc(Br)c(-c2[nH]c3ccc(N)cc3[nH+]2)c1 ZINC000019429014 182123122 /nfs/dbraw/zinc/12/31/22/182123122.db2.gz AXVXKNKDVFOHIR-UHFFFAOYSA-N 1 2 318.174 3.583 10 0 DHAELO CCCn1c(CCCCCNC(=O)C(C)C)[nH+]c2ccccc21 ZINC000040211718 183045286 /nfs/dbraw/zinc/04/52/86/183045286.db2.gz GYDPORRBIYPJNH-UHFFFAOYSA-N 1 2 315.461 3.931 10 0 DHAELO Cc1cc2[nH+]c(CCO)n(Cc3cccc(Cl)c3)c2cc1C ZINC000040310686 183053721 /nfs/dbraw/zinc/05/37/21/183053721.db2.gz NTYVFVICFRDSFB-UHFFFAOYSA-N 1 2 314.816 3.890 10 0 DHAELO CCNc1[nH+]cnc(N(CC)c2cccc3ccccc32)c1N ZINC000040701918 183119721 /nfs/dbraw/zinc/11/97/21/183119721.db2.gz HLJGXBIGAGYERE-UHFFFAOYSA-N 1 2 307.401 3.802 10 0 DHAELO Nc1c(Nc2cc(F)ccc2F)nc[nH+]c1NC1CCCCC1 ZINC000040708733 183120911 /nfs/dbraw/zinc/12/09/11/183120911.db2.gz UJIFVSZDHWRMCM-UHFFFAOYSA-N 1 2 319.359 3.825 10 0 DHAELO CC[C@@H](C)[N@H+](CCOC)CC(=O)c1cc(Cl)sc1Cl ZINC000042587110 183287947 /nfs/dbraw/zinc/28/79/47/183287947.db2.gz GHWVPGUHBMLIRE-SECBINFHSA-N 1 2 324.273 3.985 10 0 DHAELO CC[C@@H](C)[N@@H+](CCOC)CC(=O)c1cc(Cl)sc1Cl ZINC000042587110 183287949 /nfs/dbraw/zinc/28/79/49/183287949.db2.gz GHWVPGUHBMLIRE-SECBINFHSA-N 1 2 324.273 3.985 10 0 DHAELO Cc1[nH+]c(Cc2cccc(Br)c2)nc(N)c1C(C)C ZINC000061687331 184183038 /nfs/dbraw/zinc/18/30/38/184183038.db2.gz WSTXSTKQCBUWNR-UHFFFAOYSA-N 1 2 320.234 3.844 10 0 DHAELO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1nc2ccccc2n1C ZINC000120433792 195165909 /nfs/dbraw/zinc/16/59/09/195165909.db2.gz FYNWUDKZACREEH-CRAIPNDOSA-N 1 2 322.456 3.527 10 0 DHAELO CC(C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)=C1CCCC1 ZINC000176676460 333117755 /nfs/dbraw/zinc/11/77/55/333117755.db2.gz TVHZVXCIXVTUSV-OAHLLOKOSA-N 1 2 309.413 3.940 10 0 DHAELO COC(=O)[C@H]1CCC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000050050131 334363527 /nfs/dbraw/zinc/36/35/27/334363527.db2.gz FCVOVOIXRCAGPZ-LLVKDONJSA-N 1 2 309.818 3.692 10 0 DHAELO COC(=O)[C@H]1CCC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000050050131 334363528 /nfs/dbraw/zinc/36/35/28/334363528.db2.gz FCVOVOIXRCAGPZ-LLVKDONJSA-N 1 2 309.818 3.692 10 0 DHAELO Cc1nc2n(n1)CCC[C@H]2Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000129128232 334902175 /nfs/dbraw/zinc/90/21/75/334902175.db2.gz WVSIFMDWDHOQHW-CQSZACIVSA-N 1 2 311.364 3.529 10 0 DHAELO COC(=O)c1ccc(CNc2cc(C)[nH+]c3c(F)cccc23)o1 ZINC000301644292 336320415 /nfs/dbraw/zinc/32/04/15/336320415.db2.gz CHGBUJRFNOAHIL-UHFFFAOYSA-N 1 2 314.316 3.674 10 0 DHAELO CCS[C@@H]1CC[C@@]1(O)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000301667865 336322186 /nfs/dbraw/zinc/32/21/86/336322186.db2.gz MJTHKMNZYIPFCN-NVXWUHKLSA-N 1 2 320.433 3.741 10 0 DHAELO Cc1nc(N[C@@H](c2nccs2)C2CC2)c2c([nH+]1)CCCC2 ZINC000302094844 336348230 /nfs/dbraw/zinc/34/82/30/336348230.db2.gz NQFWAXOQDVQPKY-CQSZACIVSA-N 1 2 300.431 3.684 10 0 DHAELO Oc1cccc2c1CCC[C@@H]2Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000302730732 336366929 /nfs/dbraw/zinc/36/69/29/336366929.db2.gz SENWMQZRPNSZBJ-INIZCTEOSA-N 1 2 324.428 3.662 10 0 DHAELO Oc1cccc2c1CCC[C@@H]2Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302730732 336366930 /nfs/dbraw/zinc/36/69/30/336366930.db2.gz SENWMQZRPNSZBJ-INIZCTEOSA-N 1 2 324.428 3.662 10 0 DHAELO CCC(C)(CC)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000121278112 336937699 /nfs/dbraw/zinc/93/76/99/336937699.db2.gz RIGHDRFGVRDZJH-AWEZNQCLSA-N 1 2 314.433 3.811 10 0 DHAELO Cc1cc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c(C)s1 ZINC000171639972 337086905 /nfs/dbraw/zinc/08/69/05/337086905.db2.gz FSENVMJILKUIIZ-UHFFFAOYSA-N 1 2 303.475 3.780 10 0 DHAELO Cc1cc(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c(C)s1 ZINC000171639972 337086906 /nfs/dbraw/zinc/08/69/06/337086906.db2.gz FSENVMJILKUIIZ-UHFFFAOYSA-N 1 2 303.475 3.780 10 0 DHAELO Cc1cc(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c(C)s1 ZINC000171639972 337086907 /nfs/dbraw/zinc/08/69/07/337086907.db2.gz FSENVMJILKUIIZ-UHFFFAOYSA-N 1 2 303.475 3.780 10 0 DHAELO CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000172246198 337091447 /nfs/dbraw/zinc/09/14/47/337091447.db2.gz ZUFMHQSCFOLDQF-GOSISDBHSA-N 1 2 324.472 3.904 10 0 DHAELO CCc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000172246198 337091448 /nfs/dbraw/zinc/09/14/48/337091448.db2.gz ZUFMHQSCFOLDQF-GOSISDBHSA-N 1 2 324.472 3.904 10 0 DHAELO Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000173928233 337137550 /nfs/dbraw/zinc/13/75/50/337137550.db2.gz IYLVASRFJJAAFE-CQSZACIVSA-N 1 2 323.371 3.811 10 0 DHAELO Cc1csc([C@@H]2C[N@H+](Cc3ccc(Cl)c(C)c3)CCO2)n1 ZINC000180427256 337174467 /nfs/dbraw/zinc/17/44/67/337174467.db2.gz HSCNWCSUHJWDNF-HNNXBMFYSA-N 1 2 322.861 3.987 10 0 DHAELO Cc1csc([C@@H]2C[N@@H+](Cc3ccc(Cl)c(C)c3)CCO2)n1 ZINC000180427256 337174468 /nfs/dbraw/zinc/17/44/68/337174468.db2.gz HSCNWCSUHJWDNF-HNNXBMFYSA-N 1 2 322.861 3.987 10 0 DHAELO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000180657091 337177193 /nfs/dbraw/zinc/17/71/93/337177193.db2.gz KDYGNXJUIZHJNJ-IUODEOHRSA-N 1 2 302.397 3.555 10 0 DHAELO CCn1cc[nH+]c1CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000183460079 337191845 /nfs/dbraw/zinc/19/18/45/337191845.db2.gz QCIJEZALWVMCIO-ZDUSSCGKSA-N 1 2 319.277 3.574 10 0 DHAELO Cc1nccnc1[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000187947105 337268988 /nfs/dbraw/zinc/26/89/88/337268988.db2.gz XRETXCMUBBLLES-KXBFYZLASA-N 1 2 304.397 3.620 10 0 DHAELO COc1ccc([C@H](O)c2[nH+]c(C)cc3cc(OC)ccc32)cc1 ZINC000584619967 337371559 /nfs/dbraw/zinc/37/15/59/337371559.db2.gz QVTYLTIRYJADQU-IBGZPJMESA-N 1 2 309.365 3.642 10 0 DHAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C/C1CCCCC1)C2 ZINC000117801755 337849245 /nfs/dbraw/zinc/84/92/45/337849245.db2.gz HOTBOWXETWUPQA-MDZDMXLPSA-N 1 2 315.461 3.565 10 0 DHAELO C[C@H](NC(=O)Nc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000174264991 340384995 /nfs/dbraw/zinc/38/49/95/340384995.db2.gz GOKVNTWCLWOMLP-ZDUSSCGKSA-N 1 2 324.359 3.894 10 0 DHAELO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(Cl)s2)n1 ZINC000130331741 341017221 /nfs/dbraw/zinc/01/72/21/341017221.db2.gz KUHLHBNDDLNOAT-BDAKNGLRSA-N 1 2 315.826 3.733 10 0 DHAELO CC(C)C[C@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000080534508 517433476 /nfs/dbraw/zinc/43/34/76/517433476.db2.gz JXJIRMYZDNODIO-SJORKVTESA-N 1 2 311.429 3.664 10 0 DHAELO CC(C)n1cc[nH+]c1CNc1ccccc1C(=O)NC(C)(C)C ZINC000124197824 520034921 /nfs/dbraw/zinc/03/49/21/520034921.db2.gz CCGYVZBRXSSSJR-UHFFFAOYSA-N 1 2 314.433 3.604 10 0 DHAELO CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)o1 ZINC000127726508 521475436 /nfs/dbraw/zinc/47/54/36/521475436.db2.gz JATDVOYTWJQQMH-ZDUSSCGKSA-N 1 2 320.414 3.640 10 0 DHAELO CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)o1 ZINC000127726508 521475444 /nfs/dbraw/zinc/47/54/44/521475444.db2.gz JATDVOYTWJQQMH-ZDUSSCGKSA-N 1 2 320.414 3.640 10 0 DHAELO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114201418 525434151 /nfs/dbraw/zinc/43/41/51/525434151.db2.gz BEYLVHBOCZDNTF-KRWDZBQOSA-N 1 2 322.412 3.609 10 0 DHAELO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114201418 525434161 /nfs/dbraw/zinc/43/41/61/525434161.db2.gz BEYLVHBOCZDNTF-KRWDZBQOSA-N 1 2 322.412 3.609 10 0 DHAELO C[C@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1cccs1 ZINC000189189801 525486489 /nfs/dbraw/zinc/48/64/89/525486489.db2.gz ZPNAHCZEMCVGAY-JTQLQIEISA-N 1 2 303.362 3.788 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cn(C(C)(C)C)nn2)o1 ZINC000191369522 525803493 /nfs/dbraw/zinc/80/34/93/525803493.db2.gz CJTUUKXSAVFHQT-HNNXBMFYSA-N 1 2 302.422 3.662 10 0 DHAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cn(C(C)(C)C)nn2)o1 ZINC000191369522 525803505 /nfs/dbraw/zinc/80/35/05/525803505.db2.gz CJTUUKXSAVFHQT-HNNXBMFYSA-N 1 2 302.422 3.662 10 0 DHAELO Cc1ccc2[nH+]cc(CN3CCCC[C@H]3c3nccs3)n2c1 ZINC000127745525 526257858 /nfs/dbraw/zinc/25/78/58/526257858.db2.gz OUJAOJWKDDEYGV-HNNXBMFYSA-N 1 2 312.442 3.826 10 0 DHAELO Cc1coc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc12 ZINC000187975246 526294550 /nfs/dbraw/zinc/29/45/50/526294550.db2.gz VSDYRLJGXYYAFI-OAHLLOKOSA-N 1 2 324.384 3.634 10 0 DHAELO c1csc([C@@H]2CCCC[N@H+]2Cc2cccc3c2OCO3)n1 ZINC000127652444 526587063 /nfs/dbraw/zinc/58/70/63/526587063.db2.gz WWFMKVBXIGLPQT-ZDUSSCGKSA-N 1 2 302.399 3.599 10 0 DHAELO c1csc([C@@H]2CCCC[N@@H+]2Cc2cccc3c2OCO3)n1 ZINC000127652444 526587066 /nfs/dbraw/zinc/58/70/66/526587066.db2.gz WWFMKVBXIGLPQT-ZDUSSCGKSA-N 1 2 302.399 3.599 10 0 DHAELO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nccs2)c(C(C)(C)C)n1 ZINC000179964743 527199906 /nfs/dbraw/zinc/19/99/06/527199906.db2.gz NIYFIHQGNIMQLU-AWEZNQCLSA-N 1 2 318.490 3.901 10 0 DHAELO Cn1cc(C[N@H+]2CCCC[C@H]2c2nccs2)c(C(C)(C)C)n1 ZINC000179964743 527199914 /nfs/dbraw/zinc/19/99/14/527199914.db2.gz NIYFIHQGNIMQLU-AWEZNQCLSA-N 1 2 318.490 3.901 10 0 DHAELO Nc1ccc2[nH]c(-c3ccc(F)cc3)[nH+]c2c1Br ZINC000078400721 563512632 /nfs/dbraw/zinc/51/26/32/563512632.db2.gz RXWQUWKPHSZJSC-UHFFFAOYSA-N 1 2 306.138 3.714 10 0 DHAELO