smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004562768 132278519 /nfs/dbraw/zinc/27/85/19/132278519.db2.gz WKXYFBSMXRRVIY-UHFFFAOYSA-N 1 2 420.473 0.647 20 0 HCADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000008532857 1080563136 /nfs/dbraw/zinc/56/31/36/1080563136.db2.gz YZOOXQDLUZMXFS-UHFFFAOYSA-N 1 2 422.960 0.430 20 0 HCADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000008532857 1080563127 /nfs/dbraw/zinc/56/31/27/1080563127.db2.gz YZOOXQDLUZMXFS-UHFFFAOYSA-N 1 2 422.960 0.430 20 0 HCADLO CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000010139964 1080877451 /nfs/dbraw/zinc/87/74/51/1080877451.db2.gz MKMHHBAXWXBDPT-MRXNPFEDSA-N 1 2 424.523 0.028 20 0 HCADLO CC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000010139964 1080877447 /nfs/dbraw/zinc/87/74/47/1080877447.db2.gz MKMHHBAXWXBDPT-MRXNPFEDSA-N 1 2 424.523 0.028 20 0 HCADLO CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000010139976 1080877517 /nfs/dbraw/zinc/87/75/17/1080877517.db2.gz MKMHHBAXWXBDPT-INIZCTEOSA-N 1 2 424.523 0.028 20 0 HCADLO CC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000010139976 1080877514 /nfs/dbraw/zinc/87/75/14/1080877514.db2.gz MKMHHBAXWXBDPT-INIZCTEOSA-N 1 2 424.523 0.028 20 0 HCADLO Cc1cc(N2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)nc(C(C)C)[nH+]1 ZINC000010258245 1079055094 /nfs/dbraw/zinc/05/50/94/1079055094.db2.gz JAPLYNZHSAMRBR-UHFFFAOYSA-N 1 2 410.482 0.701 20 0 HCADLO COCCCN(C(=O)Cn1cc[nH+]c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010809574 1079455508 /nfs/dbraw/zinc/45/55/08/1079455508.db2.gz XVSJKOUTDSWDBO-UHFFFAOYSA-N 1 2 412.450 0.433 20 0 HCADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000011294542 1081003106 /nfs/dbraw/zinc/00/31/06/1081003106.db2.gz KNVGWTDYRWZGRU-INIZCTEOSA-N 1 2 417.462 0.764 20 0 HCADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000011294542 1081003096 /nfs/dbraw/zinc/00/30/96/1081003096.db2.gz KNVGWTDYRWZGRU-INIZCTEOSA-N 1 2 417.462 0.764 20 0 HCADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000011294549 1081003203 /nfs/dbraw/zinc/00/32/03/1081003203.db2.gz KNVGWTDYRWZGRU-MRXNPFEDSA-N 1 2 417.462 0.764 20 0 HCADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000011294549 1081003198 /nfs/dbraw/zinc/00/31/98/1081003198.db2.gz KNVGWTDYRWZGRU-MRXNPFEDSA-N 1 2 417.462 0.764 20 0 HCADLO Cn1ncc2c1ncn(CC(=O)NC1CC[NH+](CC(=O)Nc3ccccc3)CC1)c2=O ZINC000011526763 1079459254 /nfs/dbraw/zinc/45/92/54/1079459254.db2.gz FWVIPESUZIGONO-UHFFFAOYSA-N 1 2 423.477 0.349 20 0 HCADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N1CCNC(=O)C1 ZINC000012134779 1080076409 /nfs/dbraw/zinc/07/64/09/1080076409.db2.gz DYMCUZRHNYHDED-UHFFFAOYSA-N 1 2 400.508 0.914 20 0 HCADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000012141433 1079463222 /nfs/dbraw/zinc/46/32/22/1079463222.db2.gz VIQWYFKKYCJJGA-UHFFFAOYSA-N 1 2 409.533 0.931 20 0 HCADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000012141433 1079463211 /nfs/dbraw/zinc/46/32/11/1079463211.db2.gz VIQWYFKKYCJJGA-UHFFFAOYSA-N 1 2 409.533 0.931 20 0 HCADLO O=c1[nH]c2ccc(S(=O)(=O)NCC[N@H+]3CCc4ccccc4C3)cc2[nH]c1=O ZINC000012141591 1079463072 /nfs/dbraw/zinc/46/30/72/1079463072.db2.gz VRYBRTQRFRYSIX-UHFFFAOYSA-N 1 2 400.460 0.553 20 0 HCADLO O=c1[nH]c2ccc(S(=O)(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2[nH]c1=O ZINC000012141591 1079463067 /nfs/dbraw/zinc/46/30/67/1079463067.db2.gz VRYBRTQRFRYSIX-UHFFFAOYSA-N 1 2 400.460 0.553 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012485303 1079463789 /nfs/dbraw/zinc/46/37/89/1079463789.db2.gz SNNWXXOURMPXSK-UHFFFAOYSA-N 1 2 416.463 0.645 20 0 HCADLO Cn1c(CCC(N)=O)nnc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014114486 1079465075 /nfs/dbraw/zinc/46/50/75/1079465075.db2.gz RSBSGYJLPMSAIG-UHFFFAOYSA-N 1 2 402.524 0.670 20 0 HCADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000014268027 1079465112 /nfs/dbraw/zinc/46/51/12/1079465112.db2.gz URFXZOILNIMWAR-UHFFFAOYSA-N 1 2 418.479 0.891 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000014268823 1079465659 /nfs/dbraw/zinc/46/56/59/1079465659.db2.gz SMUKTKKVAQWMCF-UHFFFAOYSA-N 1 2 415.479 0.866 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)c(=O)[nH]c1=O ZINC000015038739 1079469096 /nfs/dbraw/zinc/46/90/96/1079469096.db2.gz VTQCSGMLABMFMW-UHFFFAOYSA-N 1 2 415.494 0.680 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)c(=O)[nH]c1=O ZINC000015038739 1079469092 /nfs/dbraw/zinc/46/90/92/1079469092.db2.gz VTQCSGMLABMFMW-UHFFFAOYSA-N 1 2 415.494 0.680 20 0 HCADLO CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015295930 1079469077 /nfs/dbraw/zinc/46/90/77/1079469077.db2.gz KZUNIYDRCVZOIB-UHFFFAOYSA-N 1 2 408.518 0.991 20 0 HCADLO C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000015297125 1079577297 /nfs/dbraw/zinc/57/72/97/1079577297.db2.gz LILSQZDFYSXTOM-QGZVFWFLSA-N 1 2 418.538 0.817 20 0 HCADLO C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000015297125 1079577287 /nfs/dbraw/zinc/57/72/87/1079577287.db2.gz LILSQZDFYSXTOM-QGZVFWFLSA-N 1 2 418.538 0.817 20 0 HCADLO C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C[C@H]1COc2ccccc2O1 ZINC000015297126 1079577493 /nfs/dbraw/zinc/57/74/93/1079577493.db2.gz LILSQZDFYSXTOM-KRWDZBQOSA-N 1 2 418.538 0.817 20 0 HCADLO C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C[C@H]1COc2ccccc2O1 ZINC000015297126 1079577469 /nfs/dbraw/zinc/57/74/69/1079577469.db2.gz LILSQZDFYSXTOM-KRWDZBQOSA-N 1 2 418.538 0.817 20 0 HCADLO CN(Cc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000015376277 1079471347 /nfs/dbraw/zinc/47/13/47/1079471347.db2.gz CUZVIDLSWQIAEF-QZTJIDSGSA-N 1 2 400.566 0.924 20 0 HCADLO CN(Cc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000015376277 1079471341 /nfs/dbraw/zinc/47/13/41/1079471341.db2.gz CUZVIDLSWQIAEF-QZTJIDSGSA-N 1 2 400.566 0.924 20 0 HCADLO CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC(C(=O)OC)CC2)c(=O)[nH]c1=O ZINC000015413035 1079471858 /nfs/dbraw/zinc/47/18/58/1079471858.db2.gz JJKWYQAWWVZRGY-UHFFFAOYSA-N 1 2 409.487 0.157 20 0 HCADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015479545 1079472368 /nfs/dbraw/zinc/47/23/68/1079472368.db2.gz PXLLNCKEAYGLIQ-KRWDZBQOSA-N 1 2 408.524 0.000 20 0 HCADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015479545 1079472363 /nfs/dbraw/zinc/47/23/63/1079472363.db2.gz PXLLNCKEAYGLIQ-KRWDZBQOSA-N 1 2 408.524 0.000 20 0 HCADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015479546 1079472452 /nfs/dbraw/zinc/47/24/52/1079472452.db2.gz PXLLNCKEAYGLIQ-QGZVFWFLSA-N 1 2 408.524 0.000 20 0 HCADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015479546 1079472446 /nfs/dbraw/zinc/47/24/46/1079472446.db2.gz PXLLNCKEAYGLIQ-QGZVFWFLSA-N 1 2 408.524 0.000 20 0 HCADLO CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC(C(=O)OCC)CC2)c(=O)[nH]c1=O ZINC000015487468 1079472489 /nfs/dbraw/zinc/47/24/89/1079472489.db2.gz MYSUPXJQAUDFCF-UHFFFAOYSA-N 1 2 423.514 0.547 20 0 HCADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000015518336 1079472933 /nfs/dbraw/zinc/47/29/33/1079472933.db2.gz RGPQQFJVMGTYOU-AWEZNQCLSA-N 1 2 402.451 0.703 20 0 HCADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000015518336 1079472926 /nfs/dbraw/zinc/47/29/26/1079472926.db2.gz RGPQQFJVMGTYOU-AWEZNQCLSA-N 1 2 402.451 0.703 20 0 HCADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000015518337 1079473040 /nfs/dbraw/zinc/47/30/40/1079473040.db2.gz RGPQQFJVMGTYOU-CQSZACIVSA-N 1 2 402.451 0.703 20 0 HCADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000015518337 1079473035 /nfs/dbraw/zinc/47/30/35/1079473035.db2.gz RGPQQFJVMGTYOU-CQSZACIVSA-N 1 2 402.451 0.703 20 0 HCADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(OC)c1 ZINC000015518675 1079473003 /nfs/dbraw/zinc/47/30/03/1079473003.db2.gz HGGHFIILSYWVPL-AWEZNQCLSA-N 1 2 402.451 0.703 20 0 HCADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(OC)c1 ZINC000015518675 1079472999 /nfs/dbraw/zinc/47/29/99/1079472999.db2.gz HGGHFIILSYWVPL-AWEZNQCLSA-N 1 2 402.451 0.703 20 0 HCADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(OC)c1 ZINC000015518678 1079472991 /nfs/dbraw/zinc/47/29/91/1079472991.db2.gz HGGHFIILSYWVPL-CQSZACIVSA-N 1 2 402.451 0.703 20 0 HCADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(OC)c1 ZINC000015518678 1079472986 /nfs/dbraw/zinc/47/29/86/1079472986.db2.gz HGGHFIILSYWVPL-CQSZACIVSA-N 1 2 402.451 0.703 20 0 HCADLO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)no1 ZINC000015523276 1079473666 /nfs/dbraw/zinc/47/36/66/1079473666.db2.gz IHQZMZFODDDKIR-UHFFFAOYSA-N 1 2 421.479 0.920 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550848 1079473598 /nfs/dbraw/zinc/47/35/98/1079473598.db2.gz KBHJCBFSJPIHBB-CYBMUJFWSA-N 1 2 413.478 0.588 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550849 1079473678 /nfs/dbraw/zinc/47/36/78/1079473678.db2.gz KBHJCBFSJPIHBB-ZDUSSCGKSA-N 1 2 413.478 0.588 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000016093638 1077829407 /nfs/dbraw/zinc/82/94/07/1077829407.db2.gz KIRCQBMXZQDSCV-UHFFFAOYSA-N 1 2 410.521 0.843 20 0 HCADLO Cn1c2ncn(CCC(=O)N3CC[NH+](Cc4cccs4)CC3)c2c(=O)n(C)c1=O ZINC000016233945 1079476385 /nfs/dbraw/zinc/47/63/85/1079476385.db2.gz CKHXRKZYFWIMAJ-UHFFFAOYSA-N 1 2 416.507 0.230 20 0 HCADLO CC(C)C(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000016391339 1079477463 /nfs/dbraw/zinc/47/74/63/1079477463.db2.gz NZFPCJFVLHKTKR-UHFFFAOYSA-N 1 2 402.539 0.935 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+]2CCC[C@@H](CO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000016484297 1079478448 /nfs/dbraw/zinc/47/84/48/1079478448.db2.gz JWQIUGJKTWFRGM-MRXNPFEDSA-N 1 2 400.479 0.547 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000016484297 1079478439 /nfs/dbraw/zinc/47/84/39/1079478439.db2.gz JWQIUGJKTWFRGM-MRXNPFEDSA-N 1 2 400.479 0.547 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+]2CCC[C@H](CO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000016484298 1079478545 /nfs/dbraw/zinc/47/85/45/1079478545.db2.gz JWQIUGJKTWFRGM-INIZCTEOSA-N 1 2 400.479 0.547 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+]2CCC[C@H](CO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000016484298 1079478538 /nfs/dbraw/zinc/47/85/38/1079478538.db2.gz JWQIUGJKTWFRGM-INIZCTEOSA-N 1 2 400.479 0.547 20 0 HCADLO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H]1COc2ccccc2O1 ZINC000016629167 1079481388 /nfs/dbraw/zinc/48/13/88/1079481388.db2.gz CTAUASVZSDYFJC-MRXNPFEDSA-N 1 2 419.503 0.765 20 0 HCADLO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H]1COc2ccccc2O1 ZINC000016629167 1079481386 /nfs/dbraw/zinc/48/13/86/1079481386.db2.gz CTAUASVZSDYFJC-MRXNPFEDSA-N 1 2 419.503 0.765 20 0 HCADLO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H]1COc2ccccc2O1 ZINC000016629169 1079481400 /nfs/dbraw/zinc/48/14/00/1079481400.db2.gz CTAUASVZSDYFJC-INIZCTEOSA-N 1 2 419.503 0.765 20 0 HCADLO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H]1COc2ccccc2O1 ZINC000016629169 1079481396 /nfs/dbraw/zinc/48/13/96/1079481396.db2.gz CTAUASVZSDYFJC-INIZCTEOSA-N 1 2 419.503 0.765 20 0 HCADLO COCC[NH+](CCOC)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000017283658 1079484167 /nfs/dbraw/zinc/48/41/67/1079484167.db2.gz MSNMNESWHUDUJY-UHFFFAOYSA-N 1 2 415.512 0.241 20 0 HCADLO COCCN(C(=O)C[N@@H+](C)Cc1ccsc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000017307692 1077541904 /nfs/dbraw/zinc/54/19/04/1077541904.db2.gz VQWVKPKWJOILCX-UHFFFAOYSA-N 1 2 423.539 0.948 20 0 HCADLO COCCN(C(=O)C[N@H+](C)Cc1ccsc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000017307692 1077541894 /nfs/dbraw/zinc/54/18/94/1077541894.db2.gz VQWVKPKWJOILCX-UHFFFAOYSA-N 1 2 423.539 0.948 20 0 HCADLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1 ZINC000017843523 1079714123 /nfs/dbraw/zinc/71/41/23/1079714123.db2.gz PZDOLKBMRRMYLI-UHFFFAOYSA-N 1 2 411.487 0.700 20 0 HCADLO NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000017881044 1079486580 /nfs/dbraw/zinc/48/65/80/1079486580.db2.gz RWFKNVXKMPVTDT-UHFFFAOYSA-N 1 2 408.459 0.703 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019103365 1079491384 /nfs/dbraw/zinc/49/13/84/1079491384.db2.gz JJYGXCOOOBDAHZ-UHFFFAOYSA-N 1 2 416.492 0.879 20 0 HCADLO CCCCN(C(=O)C[NH+]1CCC(C(=O)OC)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000019530222 1081319070 /nfs/dbraw/zinc/31/90/70/1081319070.db2.gz MDGSXUWQDSZWPK-UHFFFAOYSA-N 1 2 423.514 0.547 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+](Cc3cccs3)CC2)c(=O)n(C)c1=O ZINC000019540126 1079492372 /nfs/dbraw/zinc/49/23/72/1079492372.db2.gz XMCUQMAUJDJAFV-UHFFFAOYSA-N 1 2 419.551 0.847 20 0 HCADLO O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020949934 1079494294 /nfs/dbraw/zinc/49/42/94/1079494294.db2.gz YJWCKUFRNKUMCY-HXUWFJFHSA-N 1 2 416.522 0.781 20 0 HCADLO COc1ccccc1N1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000020963863 1079494767 /nfs/dbraw/zinc/49/47/67/1079494767.db2.gz XZKDVQIZLJCPCC-UHFFFAOYSA-N 1 2 403.527 0.050 20 0 HCADLO NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000021131056 1081372848 /nfs/dbraw/zinc/37/28/48/1081372848.db2.gz XNUUOGUGSGJPEA-UHFFFAOYSA-N 1 2 418.519 0.521 20 0 HCADLO CCn1c(=O)c(C(=O)C[NH+]2CCC(C(N)=O)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000021131249 1081372701 /nfs/dbraw/zinc/37/27/01/1081372701.db2.gz SDSAJNDRWUCJJF-UHFFFAOYSA-N 1 2 413.478 0.040 20 0 HCADLO Cn1cc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000021131875 1079494714 /nfs/dbraw/zinc/49/47/14/1079494714.db2.gz AEUHCIJMBUAVHW-UHFFFAOYSA-N 1 2 419.507 0.505 20 0 HCADLO CN(C)C(=O)COc1ccccc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000021133477 1079494810 /nfs/dbraw/zinc/49/48/10/1079494810.db2.gz HQRHZPLVXQFDCT-UHFFFAOYSA-N 1 2 423.477 0.793 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000021384760 1079496205 /nfs/dbraw/zinc/49/62/05/1079496205.db2.gz DYZINRKBSOEJIP-UHFFFAOYSA-N 1 2 404.438 0.366 20 0 HCADLO CCOc1ccc(C[NH+]2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)cc1 ZINC000021476655 1079497085 /nfs/dbraw/zinc/49/70/85/1079497085.db2.gz JXKWTBOSVNMSPQ-UHFFFAOYSA-N 1 2 410.478 0.873 20 0 HCADLO Cc1ccccc1-c1nnn(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000021551516 1079497779 /nfs/dbraw/zinc/49/77/79/1079497779.db2.gz QMKJSJOFMNWEPK-UHFFFAOYSA-N 1 2 418.465 0.674 20 0 HCADLO Cc1cc(N)nc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH+]1 ZINC000022089914 1079499990 /nfs/dbraw/zinc/49/99/90/1079499990.db2.gz WMFNTOYGFXGLBY-UHFFFAOYSA-N 1 2 407.521 0.992 20 0 HCADLO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c1C ZINC000022091029 1079499925 /nfs/dbraw/zinc/49/99/25/1079499925.db2.gz ZOJDIILPCYOQBL-FQEVSTJZSA-N 1 2 405.539 0.828 20 0 HCADLO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c1C ZINC000022091034 1079499813 /nfs/dbraw/zinc/49/98/13/1079499813.db2.gz ZOJDIILPCYOQBL-HXUWFJFHSA-N 1 2 405.539 0.828 20 0 HCADLO Cn1cnc2c1c(=O)n(CC(=O)Nc1nc(C[NH+]3CCCCC3)cs1)c(=O)n2C ZINC000022288792 1079800023 /nfs/dbraw/zinc/80/00/23/1079800023.db2.gz UYUJHSJNRCFBLB-UHFFFAOYSA-N 1 2 417.495 0.515 20 0 HCADLO Cc1ccc(-c2nnn(CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)n2)cc1 ZINC000022294070 1079502258 /nfs/dbraw/zinc/50/22/58/1079502258.db2.gz WVSLSASZLVFBLV-UHFFFAOYSA-N 1 2 418.465 0.674 20 0 HCADLO O=S(=O)(N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1)N1CCCCCC1 ZINC000022547346 1079501360 /nfs/dbraw/zinc/50/13/60/1079501360.db2.gz RKRJCQLJXFRGPW-QGZVFWFLSA-N 1 2 401.529 0.896 20 0 HCADLO O=S(=O)(N1CC[NH+](C[C@H](O)COCc2ccco2)CC1)N1CCCCCC1 ZINC000022547348 1079501375 /nfs/dbraw/zinc/50/13/75/1079501375.db2.gz RKRJCQLJXFRGPW-KRWDZBQOSA-N 1 2 401.529 0.896 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000022579884 1079501861 /nfs/dbraw/zinc/50/18/61/1079501861.db2.gz LSVBMBNVWKZDTG-UHFFFAOYSA-N 1 2 405.418 0.308 20 0 HCADLO COC(=O)c1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000022584711 1079501715 /nfs/dbraw/zinc/50/17/15/1079501715.db2.gz PLOFTKBODKAELY-UHFFFAOYSA-N 1 2 410.434 0.878 20 0 HCADLO COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000022593348 1079501765 /nfs/dbraw/zinc/50/17/65/1079501765.db2.gz RYAQMWNGKZHLLL-KXBFYZLASA-N 1 2 419.522 0.922 20 0 HCADLO COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000022593353 1079501936 /nfs/dbraw/zinc/50/19/36/1079501936.db2.gz RYAQMWNGKZHLLL-HNAYVOBHSA-N 1 2 419.522 0.922 20 0 HCADLO COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000022593357 1079501910 /nfs/dbraw/zinc/50/19/10/1079501910.db2.gz RYAQMWNGKZHLLL-BEFAXECRSA-N 1 2 419.522 0.922 20 0 HCADLO COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000022593362 1079501879 /nfs/dbraw/zinc/50/18/79/1079501879.db2.gz RYAQMWNGKZHLLL-DNVCBOLYSA-N 1 2 419.522 0.922 20 0 HCADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000022740620 1079502693 /nfs/dbraw/zinc/50/26/93/1079502693.db2.gz PPKMEOWBJCAWIR-NRFANRHFSA-N 1 2 400.479 0.856 20 0 HCADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000022740625 1079502807 /nfs/dbraw/zinc/50/28/07/1079502807.db2.gz PPKMEOWBJCAWIR-OAQYLSRUSA-N 1 2 400.479 0.856 20 0 HCADLO Cn1c(=O)c2ccc(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)nc2n(C)c1=O ZINC000023075840 1079505488 /nfs/dbraw/zinc/50/54/88/1079505488.db2.gz DYDWJZNLMDDIKE-UHFFFAOYSA-N 1 2 423.473 0.469 20 0 HCADLO CC(C)c1ccc(C[NH+]2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000023084538 1079505456 /nfs/dbraw/zinc/50/54/56/1079505456.db2.gz JSDZQMCKIVIODA-UHFFFAOYSA-N 1 2 413.522 0.790 20 0 HCADLO Cn1c(=O)c2cc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cnc2n(C)c1=O ZINC000023172169 1079506719 /nfs/dbraw/zinc/50/67/19/1079506719.db2.gz HZVSXACUEHMDPR-UHFFFAOYSA-N 1 2 422.489 0.184 20 0 HCADLO CCCn1c(N)c(C(=O)CN2CC[NH+](CCOc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000023333904 1079509285 /nfs/dbraw/zinc/50/92/85/1079509285.db2.gz RIFNWZQNICZOAD-UHFFFAOYSA-N 1 2 415.494 0.408 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nnc3ccccn32)CC1 ZINC000023408686 1079510017 /nfs/dbraw/zinc/51/00/17/1079510017.db2.gz HORDCRIXIXPWET-UHFFFAOYSA-N 1 2 409.479 0.847 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000023461226 1079510047 /nfs/dbraw/zinc/51/00/47/1079510047.db2.gz GYGKUZWXJDFSOV-UHFFFAOYSA-N 1 2 404.434 0.422 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 ZINC000023462860 1079510472 /nfs/dbraw/zinc/51/04/72/1079510472.db2.gz XIGBNVMHHQZAJJ-UHFFFAOYSA-N 1 2 421.461 0.828 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1 ZINC000023463532 1079510517 /nfs/dbraw/zinc/51/05/17/1079510517.db2.gz RIIYFTPIPFMTHH-UHFFFAOYSA-N 1 2 415.404 0.720 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1 ZINC000023463574 1079510559 /nfs/dbraw/zinc/51/05/59/1079510559.db2.gz JGVYCMHQTFDIJM-UHFFFAOYSA-N 1 2 407.478 0.761 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nnc(C3CC3)n2C)CC1 ZINC000023523684 1079510808 /nfs/dbraw/zinc/51/08/08/1079510808.db2.gz RPINEIGNTJQUSE-UHFFFAOYSA-N 1 2 413.511 0.810 20 0 HCADLO C[N@H+]1CCc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)sc2C1 ZINC000023609177 1079511468 /nfs/dbraw/zinc/51/14/68/1079511468.db2.gz CXEXCXJJJRCLEK-UHFFFAOYSA-N 1 2 411.509 0.732 20 0 HCADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)sc2C1 ZINC000023609177 1079511459 /nfs/dbraw/zinc/51/14/59/1079511459.db2.gz CXEXCXJJJRCLEK-UHFFFAOYSA-N 1 2 411.509 0.732 20 0 HCADLO CCOc1ccccc1N1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000023697068 1079511776 /nfs/dbraw/zinc/51/17/76/1079511776.db2.gz PLJCIWUASPBAPI-UHFFFAOYSA-N 1 2 417.554 0.440 20 0 HCADLO CCCn1c(=O)[nH]nc1SCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000023762528 1079511908 /nfs/dbraw/zinc/51/19/08/1079511908.db2.gz GQQVMUBHQFKCBE-UHFFFAOYSA-N 1 2 417.499 0.099 20 0 HCADLO O=C(C[NH+]1CCC(O)CC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000023993128 1079513172 /nfs/dbraw/zinc/51/31/72/1079513172.db2.gz QPYQANRKWFVWAE-UHFFFAOYSA-N 1 2 417.915 0.756 20 0 HCADLO COc1ccc(NC(=O)C[NH+]2CCC(O)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000023993199 1079513252 /nfs/dbraw/zinc/51/32/52/1079513252.db2.gz VNSAMQBYDYHBBB-UHFFFAOYSA-N 1 2 413.496 0.111 20 0 HCADLO C[N@H+]1CCc2nc(NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)sc2C1 ZINC000024152680 1079513605 /nfs/dbraw/zinc/51/36/05/1079513605.db2.gz DFSXGBVUXFPXHD-UHFFFAOYSA-N 1 2 400.258 0.382 20 0 HCADLO C[N@@H+]1CCc2nc(NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)sc2C1 ZINC000024152680 1079513597 /nfs/dbraw/zinc/51/35/97/1079513597.db2.gz DFSXGBVUXFPXHD-UHFFFAOYSA-N 1 2 400.258 0.382 20 0 HCADLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000024243882 1079514323 /nfs/dbraw/zinc/51/43/23/1079514323.db2.gz HDNZUYGBZZWAJH-MRXNPFEDSA-N 1 2 424.567 0.600 20 0 HCADLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000024243887 1079514239 /nfs/dbraw/zinc/51/42/39/1079514239.db2.gz HDNZUYGBZZWAJH-INIZCTEOSA-N 1 2 424.567 0.600 20 0 HCADLO NS(=O)(=O)c1ccc(OCC[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000024249913 1079514798 /nfs/dbraw/zinc/51/47/98/1079514798.db2.gz DALRYWJZBFWDID-UHFFFAOYSA-N 1 2 418.519 0.969 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)CC1 ZINC000024355123 1079515234 /nfs/dbraw/zinc/51/52/34/1079515234.db2.gz DSFCHVGJQAJYIE-UHFFFAOYSA-N 1 2 422.428 0.505 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC000024437637 1079515862 /nfs/dbraw/zinc/51/58/62/1079515862.db2.gz STGBFIIUXJUYHY-UHFFFAOYSA-N 1 2 413.507 0.788 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000024684306 1079520367 /nfs/dbraw/zinc/52/03/67/1079520367.db2.gz BNDFXOMUIHLWEU-UHFFFAOYSA-N 1 2 416.569 0.102 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000024684318 1079520501 /nfs/dbraw/zinc/52/05/01/1079520501.db2.gz DVFCBMVXQBMZQJ-UHFFFAOYSA-N 1 2 416.569 0.102 20 0 HCADLO Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024684322 1079520577 /nfs/dbraw/zinc/52/05/77/1079520577.db2.gz JPZWPIDSNUUKMW-UHFFFAOYSA-N 1 2 416.569 0.102 20 0 HCADLO Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000024684603 1079520418 /nfs/dbraw/zinc/52/04/18/1079520418.db2.gz TXLQBLGANOUXRW-UHFFFAOYSA-N 1 2 422.598 0.163 20 0 HCADLO CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024684613 1079521069 /nfs/dbraw/zinc/52/10/69/1079521069.db2.gz NFIAVQKTQOWMMD-UHFFFAOYSA-N 1 2 416.569 0.048 20 0 HCADLO O=c1[nH]c2ccc(S(=O)(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2[nH]c1=O ZINC000024687606 1079521597 /nfs/dbraw/zinc/52/15/97/1079521597.db2.gz GUPHHIKXIAYKFJ-UHFFFAOYSA-N 1 2 411.443 0.940 20 0 HCADLO CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024696045 1079526217 /nfs/dbraw/zinc/52/62/17/1079526217.db2.gz UNDFJNGCOUIEME-UHFFFAOYSA-N 1 2 410.540 0.264 20 0 HCADLO Cc1c2ccccc2oc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024696068 1079526424 /nfs/dbraw/zinc/52/64/24/1079526424.db2.gz BEQBVCQRLSYBDT-UHFFFAOYSA-N 1 2 406.508 0.991 20 0 HCADLO COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024696088 1079526460 /nfs/dbraw/zinc/52/64/60/1079526460.db2.gz ZPZIEUGJQJXTTB-UHFFFAOYSA-N 1 2 416.931 0.599 20 0 HCADLO Cc1cc(C)c(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000024696135 1079526250 /nfs/dbraw/zinc/52/62/50/1079526250.db2.gz QXIZPORAKLOLQY-UHFFFAOYSA-N 1 2 424.567 0.627 20 0 HCADLO Cc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024696294 1079526326 /nfs/dbraw/zinc/52/63/26/1079526326.db2.gz MTJNRYIMTSLCGJ-UHFFFAOYSA-N 1 2 424.567 0.790 20 0 HCADLO Cc1noc2nc(C)cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c12 ZINC000024696512 1079526979 /nfs/dbraw/zinc/52/69/79/1079526979.db2.gz SBGJTZYLBVXLTK-UHFFFAOYSA-N 1 2 422.511 0.090 20 0 HCADLO Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000024697143 1079527211 /nfs/dbraw/zinc/52/72/11/1079527211.db2.gz GZZPKVGGMOKNLC-UHFFFAOYSA-N 1 2 410.540 0.319 20 0 HCADLO Cc1cccc(OCCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024697177 1079527142 /nfs/dbraw/zinc/52/71/42/1079527142.db2.gz KIHXGAWBSGRYFU-UHFFFAOYSA-N 1 2 424.567 0.790 20 0 HCADLO CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024697390 1079527076 /nfs/dbraw/zinc/52/70/76/1079527076.db2.gz KVQVPLUGZBARGW-UHFFFAOYSA-N 1 2 410.540 0.264 20 0 HCADLO CCc1ccc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024697501 1079527020 /nfs/dbraw/zinc/52/70/20/1079527020.db2.gz KMKICIFBJHPNEB-UHFFFAOYSA-N 1 2 408.568 0.818 20 0 HCADLO Cc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH]c2c1C(=O)CCC2 ZINC000024697565 1079526944 /nfs/dbraw/zinc/52/69/44/1079526944.db2.gz MHNISOPDHVRVCW-UHFFFAOYSA-N 1 2 423.539 0.092 20 0 HCADLO CCOc1ccccc1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024697759 1079521620 /nfs/dbraw/zinc/52/16/20/1079521620.db2.gz KWOVMQRMKWXZFU-UHFFFAOYSA-N 1 2 424.567 0.654 20 0 HCADLO COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000024697766 1079521563 /nfs/dbraw/zinc/52/15/63/1079521563.db2.gz DPYWTJCYWCRSHN-UHFFFAOYSA-N 1 2 400.476 0.084 20 0 HCADLO COc1ccc(C)cc1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024697975 1079521746 /nfs/dbraw/zinc/52/17/46/1079521746.db2.gz AYOTUJXBLZJEPI-UHFFFAOYSA-N 1 2 410.540 0.183 20 0 HCADLO CC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000024698065 1079521420 /nfs/dbraw/zinc/52/14/20/1079521420.db2.gz VNXJUQOCJLWHQZ-UHFFFAOYSA-N 1 2 400.526 0.201 20 0 HCADLO Cc1cc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024698095 1079521495 /nfs/dbraw/zinc/52/14/95/1079521495.db2.gz IOTJEFPNMJZIPP-UHFFFAOYSA-N 1 2 419.551 0.586 20 0 HCADLO COc1cccc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024698519 1079521639 /nfs/dbraw/zinc/52/16/39/1079521639.db2.gz ZEGBQBZUWQISDR-UHFFFAOYSA-N 1 2 410.540 0.264 20 0 HCADLO Cc1cccc(C)c1OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024698925 1079522255 /nfs/dbraw/zinc/52/22/55/1079522255.db2.gz PPCVNZRABBBLKU-UHFFFAOYSA-N 1 2 410.540 0.319 20 0 HCADLO Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024698976 1079522375 /nfs/dbraw/zinc/52/23/75/1079522375.db2.gz KKZCHECISJEHJA-QGZVFWFLSA-N 1 2 410.540 0.399 20 0 HCADLO Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024698981 1079522333 /nfs/dbraw/zinc/52/23/33/1079522333.db2.gz KKZCHECISJEHJA-KRWDZBQOSA-N 1 2 410.540 0.399 20 0 HCADLO Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024698991 1079522448 /nfs/dbraw/zinc/52/24/48/1079522448.db2.gz JEDUEXFLNNDVRS-QGZVFWFLSA-N 1 2 410.540 0.399 20 0 HCADLO Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024698994 1079522171 /nfs/dbraw/zinc/52/21/71/1079522171.db2.gz JEDUEXFLNNDVRS-KRWDZBQOSA-N 1 2 410.540 0.399 20 0 HCADLO COc1ccc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024698998 1079522399 /nfs/dbraw/zinc/52/23/99/1079522399.db2.gz OJANMKHSDZITEK-UHFFFAOYSA-N 1 2 410.540 0.264 20 0 HCADLO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024699108 1079522423 /nfs/dbraw/zinc/52/24/23/1079522423.db2.gz CIBDSZIKPQWOGU-OAHLLOKOSA-N 1 2 414.503 0.229 20 0 HCADLO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024699112 1079522506 /nfs/dbraw/zinc/52/25/06/1079522506.db2.gz CIBDSZIKPQWOGU-HNNXBMFYSA-N 1 2 414.503 0.229 20 0 HCADLO CCc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sc1C ZINC000024699187 1079522307 /nfs/dbraw/zinc/52/23/07/1079522307.db2.gz PYNGMPYBPLMPJA-UHFFFAOYSA-N 1 2 400.570 0.869 20 0 HCADLO Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000024699225 1079522275 /nfs/dbraw/zinc/52/22/75/1079522275.db2.gz UTKIFFDWWGKLMD-UHFFFAOYSA-N 1 2 410.540 0.319 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000024745734 1079523643 /nfs/dbraw/zinc/52/36/43/1079523643.db2.gz MCBDJKHESUYPEE-UHFFFAOYSA-N 1 2 416.445 0.872 20 0 HCADLO Cn1c2ncn(CCC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)c2c(=O)n(C)c1=O ZINC000024750145 1079523572 /nfs/dbraw/zinc/52/35/72/1079523572.db2.gz KJZRYNLUIHZGEF-UHFFFAOYSA-N 1 2 421.461 0.385 20 0 HCADLO Cn1c(=O)c2cc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cnc2n(C)c1=O ZINC000024751165 1079523816 /nfs/dbraw/zinc/52/38/16/1079523816.db2.gz ZSHCHTNTVDPFKO-UHFFFAOYSA-N 1 2 404.430 0.807 20 0 HCADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000024752442 1079523655 /nfs/dbraw/zinc/52/36/55/1079523655.db2.gz CCXKKSKPSLZNSG-QZTJIDSGSA-N 1 2 416.503 0.583 20 0 HCADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000024752445 1079523688 /nfs/dbraw/zinc/52/36/88/1079523688.db2.gz CCXKKSKPSLZNSG-ZWKOTPCHSA-N 1 2 416.503 0.583 20 0 HCADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000024752449 1079523524 /nfs/dbraw/zinc/52/35/24/1079523524.db2.gz CCXKKSKPSLZNSG-MSOLQXFVSA-N 1 2 416.503 0.583 20 0 HCADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000024752454 1079523624 /nfs/dbraw/zinc/52/36/24/1079523624.db2.gz CCXKKSKPSLZNSG-ROUUACIJSA-N 1 2 416.503 0.583 20 0 HCADLO Cn1c(=O)c2ccc(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)nc2n(C)c1=O ZINC000024783334 1079524858 /nfs/dbraw/zinc/52/48/58/1079524858.db2.gz BSBFVRFYCUMDDL-UHFFFAOYSA-N 1 2 418.457 0.850 20 0 HCADLO CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000024814900 1079526495 /nfs/dbraw/zinc/52/64/95/1079526495.db2.gz DYTBLYKLMBZMGR-OAHLLOKOSA-N 1 2 421.519 0.688 20 0 HCADLO CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000024814900 1079526490 /nfs/dbraw/zinc/52/64/90/1079526490.db2.gz DYTBLYKLMBZMGR-OAHLLOKOSA-N 1 2 421.519 0.688 20 0 HCADLO CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000024814905 1079526196 /nfs/dbraw/zinc/52/61/96/1079526196.db2.gz DYTBLYKLMBZMGR-HNNXBMFYSA-N 1 2 421.519 0.688 20 0 HCADLO CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000024814905 1079526180 /nfs/dbraw/zinc/52/61/80/1079526180.db2.gz DYTBLYKLMBZMGR-HNNXBMFYSA-N 1 2 421.519 0.688 20 0 HCADLO CS(=O)(=O)N1CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000024922499 1079528861 /nfs/dbraw/zinc/52/88/61/1079528861.db2.gz FKZAKEFAGFWLAI-UHFFFAOYSA-N 1 2 415.313 0.924 20 0 HCADLO CS(=O)(=O)N1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000024922499 1079528849 /nfs/dbraw/zinc/52/88/49/1079528849.db2.gz FKZAKEFAGFWLAI-UHFFFAOYSA-N 1 2 415.313 0.924 20 0 HCADLO CS(=O)(=O)N1CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000024924442 1079529022 /nfs/dbraw/zinc/52/90/22/1079529022.db2.gz LZRLRBIBIWGLKB-UHFFFAOYSA-N 1 2 410.540 0.425 20 0 HCADLO COC(=O)C1CCN(C(=O)C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000025044519 1079533328 /nfs/dbraw/zinc/53/33/28/1079533328.db2.gz ASGMNHZAQLODNV-UHFFFAOYSA-N 1 2 423.535 0.841 20 0 HCADLO CC(=O)N1CCN(C(=O)C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000025048909 1079565376 /nfs/dbraw/zinc/56/53/76/1079565376.db2.gz XMGJBKLIVQZPJT-UHFFFAOYSA-N 1 2 408.524 0.120 20 0 HCADLO O=C(CN1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1)N1CCCCC1 ZINC000025217237 1078008612 /nfs/dbraw/zinc/00/86/12/1078008612.db2.gz PKQSLNUDQOSNGT-QGZVFWFLSA-N 1 2 414.506 0.274 20 0 HCADLO CNC(=O)C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1 ZINC000025232122 1079570284 /nfs/dbraw/zinc/57/02/84/1079570284.db2.gz NSAKZLWVBAICAZ-UHFFFAOYSA-N 1 2 401.442 0.620 20 0 HCADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000025232176 1079570353 /nfs/dbraw/zinc/57/03/53/1079570353.db2.gz OERZSYJUZKGKIL-CQSZACIVSA-N 1 2 421.922 0.479 20 0 HCADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000025232181 1079570404 /nfs/dbraw/zinc/57/04/04/1079570404.db2.gz OERZSYJUZKGKIL-AWEZNQCLSA-N 1 2 421.922 0.479 20 0 HCADLO O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025440268 1078015469 /nfs/dbraw/zinc/01/54/69/1078015469.db2.gz FJXMTTHWMNUEOV-LJQANCHMSA-N 1 2 404.492 0.885 20 0 HCADLO O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025440271 1078015484 /nfs/dbraw/zinc/01/54/84/1078015484.db2.gz FJXMTTHWMNUEOV-IBGZPJMESA-N 1 2 404.492 0.885 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+](CC(N)=O)CC(C)C)CC1 ZINC000026126985 1078034009 /nfs/dbraw/zinc/03/40/09/1078034009.db2.gz KCKKTXHVQQTCQJ-UHFFFAOYSA-N 1 2 417.554 0.775 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+](CC(N)=O)CC(C)C)CC1 ZINC000026126985 1078034004 /nfs/dbraw/zinc/03/40/04/1078034004.db2.gz KCKKTXHVQQTCQJ-UHFFFAOYSA-N 1 2 417.554 0.775 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](CC(N)=O)CC(C)C)CC2)cc1C ZINC000026127222 1078034138 /nfs/dbraw/zinc/03/41/38/1078034138.db2.gz PNIWEAZWXOEGQY-UHFFFAOYSA-N 1 2 424.567 0.580 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](CC(N)=O)CC(C)C)CC2)cc1C ZINC000026127222 1078034132 /nfs/dbraw/zinc/03/41/32/1078034132.db2.gz PNIWEAZWXOEGQY-UHFFFAOYSA-N 1 2 424.567 0.580 20 0 HCADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000026128507 1079589906 /nfs/dbraw/zinc/58/99/06/1079589906.db2.gz DQRVHULDARYKAQ-UHFFFAOYSA-N 1 2 424.567 0.921 20 0 HCADLO CC(C)C[N@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000026128507 1079589897 /nfs/dbraw/zinc/58/98/97/1079589897.db2.gz DQRVHULDARYKAQ-UHFFFAOYSA-N 1 2 424.567 0.921 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCC(C(N)=O)CC3)CC2)nc1 ZINC000026143286 1079590022 /nfs/dbraw/zinc/59/00/22/1079590022.db2.gz CYQAKGZSJAVTEJ-HNNXBMFYSA-N 1 2 417.510 0.493 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCC(C(N)=O)CC3)CC2)nc1 ZINC000026143291 1079590115 /nfs/dbraw/zinc/59/01/15/1079590115.db2.gz CYQAKGZSJAVTEJ-OAHLLOKOSA-N 1 2 417.510 0.493 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)nc1 ZINC000026143907 1079590778 /nfs/dbraw/zinc/59/07/78/1079590778.db2.gz BCBDCQPTVAMGRP-DOTOQJQBSA-N 1 2 417.510 0.493 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)nc1 ZINC000026143914 1079590717 /nfs/dbraw/zinc/59/07/17/1079590717.db2.gz BCBDCQPTVAMGRP-NVXWUHKLSA-N 1 2 417.510 0.493 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)nc1 ZINC000026143921 1079590844 /nfs/dbraw/zinc/59/08/44/1079590844.db2.gz BCBDCQPTVAMGRP-RDJZCZTQSA-N 1 2 417.510 0.493 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)nc1 ZINC000026143927 1079590569 /nfs/dbraw/zinc/59/05/69/1079590569.db2.gz BCBDCQPTVAMGRP-WBVHZDCISA-N 1 2 417.510 0.493 20 0 HCADLO Cn1c2ncn(CC(=O)NCCc3[nH+]ccn3Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000026216009 1079592047 /nfs/dbraw/zinc/59/20/47/1079592047.db2.gz IFINAQHUFJWYFI-UHFFFAOYSA-N 1 2 421.461 0.037 20 0 HCADLO COCCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)Cc1ccco1 ZINC000026449774 1079593191 /nfs/dbraw/zinc/59/31/91/1079593191.db2.gz ICCRZLQEISZTGT-UHFFFAOYSA-N 1 2 413.482 0.754 20 0 HCADLO O=S(=O)(c1cccc(Cl)c1)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000026711764 1079594674 /nfs/dbraw/zinc/59/46/74/1079594674.db2.gz ABTJRDZGZQZCHP-MRXNPFEDSA-N 1 2 403.932 0.339 20 0 HCADLO O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000026711892 1079594718 /nfs/dbraw/zinc/59/47/18/1079594718.db2.gz LAPCVROKWGKSIN-MRXNPFEDSA-N 1 2 403.932 0.339 20 0 HCADLO O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000026711896 1079594634 /nfs/dbraw/zinc/59/46/34/1079594634.db2.gz LAPCVROKWGKSIN-INIZCTEOSA-N 1 2 403.932 0.339 20 0 HCADLO O=C1COc2cc(S(=O)(=O)NCCn3cc[nH+]c3)c(Br)cc2N1 ZINC000026758121 1079595246 /nfs/dbraw/zinc/59/52/46/1079595246.db2.gz FHSGQVZUDZOANN-UHFFFAOYSA-N 1 2 401.242 0.955 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1C(N)=O ZINC000026769415 1079596182 /nfs/dbraw/zinc/59/61/82/1079596182.db2.gz XNRNRGGFLUHFIL-UHFFFAOYSA-N 1 2 415.479 0.282 20 0 HCADLO O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2[nH]c1=O ZINC000026818464 1079596988 /nfs/dbraw/zinc/59/69/88/1079596988.db2.gz QTHCHNJNWVLPBU-UHFFFAOYSA-N 1 2 411.443 0.940 20 0 HCADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)NC)n(C)c1)[NH+]1CCOCC1 ZINC000026819332 1079596760 /nfs/dbraw/zinc/59/67/60/1079596760.db2.gz RHAKTNUKWXKTSE-QGZVFWFLSA-N 1 2 400.545 0.800 20 0 HCADLO CCC(CC)[C@H](CNS(=O)(=O)c1cc(C(=O)NC)n(C)c1)[NH+]1CCOCC1 ZINC000026819337 1079597096 /nfs/dbraw/zinc/59/70/96/1079597096.db2.gz RHAKTNUKWXKTSE-KRWDZBQOSA-N 1 2 400.545 0.800 20 0 HCADLO CNc1nnc(SCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)s1 ZINC000026827077 1079597702 /nfs/dbraw/zinc/59/77/02/1079597702.db2.gz ONMSZMVXHVKWTR-UHFFFAOYSA-N 1 2 405.513 0.697 20 0 HCADLO Cn1c2ncn(CC[NH+]3CCN(CCOc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000026848773 1079598522 /nfs/dbraw/zinc/59/85/22/1079598522.db2.gz HAGRSYPHIKUCAE-UHFFFAOYSA-N 1 2 412.494 0.130 20 0 HCADLO CC1(C)NC(=O)N(CC[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000026909360 1079599642 /nfs/dbraw/zinc/59/96/42/1079599642.db2.gz IMWQISYTGFLZFJ-UHFFFAOYSA-N 1 2 412.487 0.853 20 0 HCADLO CC1(C)NC(=O)N(CC[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000026909360 1079599637 /nfs/dbraw/zinc/59/96/37/1079599637.db2.gz IMWQISYTGFLZFJ-UHFFFAOYSA-N 1 2 412.487 0.853 20 0 HCADLO Nc1nc(CN2CC[NH+](CCn3nc4ccccn4c3=O)CC2)nc2ccccc12 ZINC000026924450 1079599736 /nfs/dbraw/zinc/59/97/36/1079599736.db2.gz LJLHQRVDMFLBHH-UHFFFAOYSA-N 1 2 404.478 0.839 20 0 HCADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000026976405 1079601378 /nfs/dbraw/zinc/60/13/78/1079601378.db2.gz CGPLONFFNWFGIN-UHFFFAOYSA-N 1 2 420.329 0.946 20 0 HCADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)CCC4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000027123527 1079602300 /nfs/dbraw/zinc/60/23/00/1079602300.db2.gz QPJGWNAHWUJTRA-UHFFFAOYSA-N 1 2 416.526 0.548 20 0 HCADLO CN(C)c1nc(N)nc(CSCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000027188947 1079603226 /nfs/dbraw/zinc/60/32/26/1079603226.db2.gz HQOYIDBLRCJGDK-UHFFFAOYSA-N 1 2 402.528 0.887 20 0 HCADLO CCOC(=O)C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000027342795 1078098042 /nfs/dbraw/zinc/09/80/42/1078098042.db2.gz SQSNSLRICDZLBH-ZDUSSCGKSA-N 1 2 409.508 0.887 20 0 HCADLO CCOC(=O)C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000027342798 1078098019 /nfs/dbraw/zinc/09/80/19/1078098019.db2.gz SQSNSLRICDZLBH-CYBMUJFWSA-N 1 2 409.508 0.887 20 0 HCADLO Nc1c(C(=O)CN2CC[NH+](CCOc3ccccc3)CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000027359342 1079607486 /nfs/dbraw/zinc/60/74/86/1079607486.db2.gz LWWHIYAFJNYSFG-UHFFFAOYSA-N 1 2 413.478 0.333 20 0 HCADLO C[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1N1CCOCC1 ZINC000027372727 1079608186 /nfs/dbraw/zinc/60/81/86/1079608186.db2.gz DUCLXLTXUGPVIR-UHFFFAOYSA-N 1 2 413.478 0.605 20 0 HCADLO C[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1N1CCOCC1 ZINC000027372727 1079608163 /nfs/dbraw/zinc/60/81/63/1079608163.db2.gz DUCLXLTXUGPVIR-UHFFFAOYSA-N 1 2 413.478 0.605 20 0 HCADLO CCOc1ccc(C[NH+]2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000027567603 1079613214 /nfs/dbraw/zinc/61/32/14/1079613214.db2.gz MKRPDRAQBPBBST-UHFFFAOYSA-N 1 2 415.494 0.065 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000027614820 1079613953 /nfs/dbraw/zinc/61/39/53/1079613953.db2.gz YNFHAMUADFXPPA-UHFFFAOYSA-N 1 2 411.437 0.908 20 0 HCADLO O=C(CN1CCN(c2cnccn2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000027632845 1079615349 /nfs/dbraw/zinc/61/53/49/1079615349.db2.gz GIVCDUPFUDJXNO-UHFFFAOYSA-N 1 2 410.522 0.747 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](C)OC[C@@H]3C)CC2)cc1 ZINC000027646021 1079616218 /nfs/dbraw/zinc/61/62/18/1079616218.db2.gz FWYJZGUHNYBXAP-JKSUJKDBSA-N 1 2 411.524 0.637 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](C)OC[C@@H]3C)CC2)cc1 ZINC000027646021 1079616192 /nfs/dbraw/zinc/61/61/92/1079616192.db2.gz FWYJZGUHNYBXAP-JKSUJKDBSA-N 1 2 411.524 0.637 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](C)OC[C@@H]3C)CC2)cc1 ZINC000027646028 1079616588 /nfs/dbraw/zinc/61/65/88/1079616588.db2.gz FWYJZGUHNYBXAP-HOTGVXAUSA-N 1 2 411.524 0.637 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)OC[C@@H]3C)CC2)cc1 ZINC000027646028 1079616570 /nfs/dbraw/zinc/61/65/70/1079616570.db2.gz FWYJZGUHNYBXAP-HOTGVXAUSA-N 1 2 411.524 0.637 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](C)OC[C@@H]3C)CC2)c1 ZINC000027647243 1079616126 /nfs/dbraw/zinc/61/61/26/1079616126.db2.gz XQCAILGWMUJROX-JKSUJKDBSA-N 1 2 423.535 0.831 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](C)OC[C@@H]3C)CC2)c1 ZINC000027647243 1079616097 /nfs/dbraw/zinc/61/60/97/1079616097.db2.gz XQCAILGWMUJROX-JKSUJKDBSA-N 1 2 423.535 0.831 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)OC[C@@H]3C)CC2)c1 ZINC000027647252 1079616462 /nfs/dbraw/zinc/61/64/62/1079616462.db2.gz XQCAILGWMUJROX-HOTGVXAUSA-N 1 2 423.535 0.831 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](C)OC[C@@H]3C)CC2)c1 ZINC000027647252 1079616405 /nfs/dbraw/zinc/61/64/05/1079616405.db2.gz XQCAILGWMUJROX-HOTGVXAUSA-N 1 2 423.535 0.831 20 0 HCADLO CCc1ccc(C(=O)N2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000027750425 1079617505 /nfs/dbraw/zinc/61/75/05/1079617505.db2.gz YEAQTWMQOYNXDA-UHFFFAOYSA-N 1 2 424.505 0.454 20 0 HCADLO CCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(=O)[nH]c1=O ZINC000027779040 1079618706 /nfs/dbraw/zinc/61/87/06/1079618706.db2.gz PYVBTXJWBZWTKC-UHFFFAOYSA-N 1 2 419.404 0.102 20 0 HCADLO O=C(C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)NNC(=O)c1ccc(F)cc1 ZINC000027779893 1079893341 /nfs/dbraw/zinc/89/33/41/1079893341.db2.gz KRAROVZCIDBJQC-UHFFFAOYSA-N 1 2 404.364 0.977 20 0 HCADLO Nc1c(C(=O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000027781057 1079619321 /nfs/dbraw/zinc/61/93/21/1079619321.db2.gz IJHZOQMRLPBYGU-UHFFFAOYSA-N 1 2 417.388 0.027 20 0 HCADLO Cc1csc(CC(=O)NNC(=O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)n1 ZINC000027781063 1079893800 /nfs/dbraw/zinc/89/38/00/1079893800.db2.gz KVWVSKXIMJQPQU-UHFFFAOYSA-N 1 2 421.445 0.532 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nnnn2C(C)(C)C)CC1 ZINC000027938563 1079620592 /nfs/dbraw/zinc/62/05/92/1079620592.db2.gz TZUUENHTYCISAI-UHFFFAOYSA-N 1 2 416.515 0.546 20 0 HCADLO CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000028092568 1079625988 /nfs/dbraw/zinc/62/59/88/1079625988.db2.gz LQTVUQJSTYHMNG-UHFFFAOYSA-N 1 2 422.551 0.755 20 0 HCADLO CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000028092568 1079625965 /nfs/dbraw/zinc/62/59/65/1079625965.db2.gz LQTVUQJSTYHMNG-UHFFFAOYSA-N 1 2 422.551 0.755 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nnnn2C2CC2)CC1 ZINC000028239390 1079630140 /nfs/dbraw/zinc/63/01/40/1079630140.db2.gz LEICYWFEWYJNFZ-UHFFFAOYSA-N 1 2 400.472 0.126 20 0 HCADLO CC(C)Cn1nnnc1SCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000028375246 1079631433 /nfs/dbraw/zinc/63/14/33/1079631433.db2.gz UXANKLPTYRWBIC-UHFFFAOYSA-N 1 2 416.515 0.447 20 0 HCADLO C[C@@H](CNC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000028398385 1079631402 /nfs/dbraw/zinc/63/14/02/1079631402.db2.gz KWIUNVUUYPDKKK-INIZCTEOSA-N 1 2 410.540 0.860 20 0 HCADLO C[C@H](CNC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000028398388 1079631534 /nfs/dbraw/zinc/63/15/34/1079631534.db2.gz KWIUNVUUYPDKKK-MRXNPFEDSA-N 1 2 410.540 0.860 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cnc3ccsc3c2=O)CC1 ZINC000028406631 1079632866 /nfs/dbraw/zinc/63/28/66/1079632866.db2.gz QJMUXTLFXIXXFU-UHFFFAOYSA-N 1 2 410.463 0.484 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000028652947 1079633957 /nfs/dbraw/zinc/63/39/57/1079633957.db2.gz QWJYXKCMKIWJSS-SFHVURJKSA-N 1 2 411.524 0.639 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000028652951 1079633610 /nfs/dbraw/zinc/63/36/10/1079633610.db2.gz QWJYXKCMKIWJSS-GOSISDBHSA-N 1 2 411.524 0.639 20 0 HCADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000028661752 1079633663 /nfs/dbraw/zinc/63/36/63/1079633663.db2.gz IJFMPAIAFWLMGT-IBGZPJMESA-N 1 2 419.522 0.843 20 0 HCADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000028661755 1079633796 /nfs/dbraw/zinc/63/37/96/1079633796.db2.gz IJFMPAIAFWLMGT-LJQANCHMSA-N 1 2 419.522 0.843 20 0 HCADLO CCn1c2nnc(CN3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2c2ccccc2c1=O ZINC000028751561 1079635745 /nfs/dbraw/zinc/63/57/45/1079635745.db2.gz AEMPIEINZHHUKS-HNNXBMFYSA-N 1 2 423.521 0.849 20 0 HCADLO CCn1c2nnc(CN3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2c2ccccc2c1=O ZINC000028751563 1079636065 /nfs/dbraw/zinc/63/60/65/1079636065.db2.gz AEMPIEINZHHUKS-OAHLLOKOSA-N 1 2 423.521 0.849 20 0 HCADLO Cc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)no1 ZINC000028752591 1079635675 /nfs/dbraw/zinc/63/56/75/1079635675.db2.gz ITOJXOOOSSYAHV-UHFFFAOYSA-N 1 2 421.479 0.920 20 0 HCADLO Cc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)no1 ZINC000028752593 1079636014 /nfs/dbraw/zinc/63/60/14/1079636014.db2.gz IYQVROWGBYZGMI-UHFFFAOYSA-N 1 2 421.479 0.920 20 0 HCADLO Cc1cc(NC(=O)C2CC[NH+](CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)CC2)no1 ZINC000028753351 1079635544 /nfs/dbraw/zinc/63/55/44/1079635544.db2.gz SSOZIAAQFJZWQD-UHFFFAOYSA-N 1 2 416.438 0.284 20 0 HCADLO Cn1ncc2c1ncnc2SCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000028762143 1079636863 /nfs/dbraw/zinc/63/68/63/1079636863.db2.gz WFTRGUYHZYDNAU-UHFFFAOYSA-N 1 2 424.494 0.481 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(=O)[nH]c1=O ZINC000028933849 1079638217 /nfs/dbraw/zinc/63/82/17/1079638217.db2.gz DZZPVIDGFNEGQV-UHFFFAOYSA-N 1 2 412.393 0.681 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(=O)[nH]c1=O ZINC000028933849 1079638195 /nfs/dbraw/zinc/63/81/95/1079638195.db2.gz DZZPVIDGFNEGQV-UHFFFAOYSA-N 1 2 412.393 0.681 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@@H+](C)CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000028960445 1079639751 /nfs/dbraw/zinc/63/97/51/1079639751.db2.gz KZUDQPDJRSKNLJ-UHFFFAOYSA-N 1 2 410.858 0.612 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@H+](C)CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000028960445 1079639738 /nfs/dbraw/zinc/63/97/38/1079639738.db2.gz KZUDQPDJRSKNLJ-UHFFFAOYSA-N 1 2 410.858 0.612 20 0 HCADLO CS(=O)(=O)NCCCNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000029022034 1079641189 /nfs/dbraw/zinc/64/11/89/1079641189.db2.gz APUZSUVRYFVUNG-UHFFFAOYSA-N 1 2 412.493 0.552 20 0 HCADLO CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000029025754 1079640555 /nfs/dbraw/zinc/64/05/55/1079640555.db2.gz AYYRMDWHXYWBMJ-UHFFFAOYSA-N 1 2 408.524 0.365 20 0 HCADLO CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000029025754 1079640536 /nfs/dbraw/zinc/64/05/36/1079640536.db2.gz AYYRMDWHXYWBMJ-UHFFFAOYSA-N 1 2 408.524 0.365 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000029080626 1079641006 /nfs/dbraw/zinc/64/10/06/1079641006.db2.gz MGLOJHUWDUMJMN-UHFFFAOYSA-N 1 2 400.464 0.729 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@@H+](C)CCOc2cccc(Cl)c2)c(=O)[nH]c1=O ZINC000029121059 1079643925 /nfs/dbraw/zinc/64/39/25/1079643925.db2.gz MYVRHXXYWNPIDD-UHFFFAOYSA-N 1 2 410.858 0.612 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@H+](C)CCOc2cccc(Cl)c2)c(=O)[nH]c1=O ZINC000029121059 1079643918 /nfs/dbraw/zinc/64/39/18/1079643918.db2.gz MYVRHXXYWNPIDD-UHFFFAOYSA-N 1 2 410.858 0.612 20 0 HCADLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000029162123 1079645362 /nfs/dbraw/zinc/64/53/62/1079645362.db2.gz WBOFPNDWWFMQFB-UHFFFAOYSA-N 1 2 416.931 0.987 20 0 HCADLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000029164725 1079645568 /nfs/dbraw/zinc/64/55/68/1079645568.db2.gz LRUNJAPVXPCPBG-UHFFFAOYSA-N 1 2 412.512 0.342 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)NCC(F)(F)F)CC2)cc1 ZINC000029188238 1079646683 /nfs/dbraw/zinc/64/66/83/1079646683.db2.gz JWWVUYYYIGWUKY-UHFFFAOYSA-N 1 2 422.429 0.663 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000029335701 1079934958 /nfs/dbraw/zinc/93/49/58/1079934958.db2.gz KMQXXFCJGQMGDO-UHFFFAOYSA-N 1 2 407.438 0.802 20 0 HCADLO Cn1c2ncn(CCC(=O)NCc3cc[nH+]c(N4CCCC4)c3)c2c(=O)n(C)c1=O ZINC000029557444 1079656063 /nfs/dbraw/zinc/65/60/63/1079656063.db2.gz ZPURFHIFEGDUMF-UHFFFAOYSA-N 1 2 411.466 0.135 20 0 HCADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029558331 1079655543 /nfs/dbraw/zinc/65/55/43/1079655543.db2.gz BCQFWQIHEMIDCF-UHFFFAOYSA-N 1 2 408.256 0.611 20 0 HCADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)c4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000029660417 1079657916 /nfs/dbraw/zinc/65/79/16/1079657916.db2.gz YTJHNPPVRCRPSD-UHFFFAOYSA-N 1 2 414.441 0.031 20 0 HCADLO Cn1c(=O)c2ccc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)nc2n(C)c1=O ZINC000029669681 1079657643 /nfs/dbraw/zinc/65/76/43/1079657643.db2.gz WMAURSLVPPUWGD-UHFFFAOYSA-N 1 2 404.430 0.807 20 0 HCADLO CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000029672444 1079658871 /nfs/dbraw/zinc/65/88/71/1079658871.db2.gz QGHIWNMDQQVBRV-OAHLLOKOSA-N 1 2 400.317 0.943 20 0 HCADLO CCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000029672448 1079659163 /nfs/dbraw/zinc/65/91/63/1079659163.db2.gz QGHIWNMDQQVBRV-HNNXBMFYSA-N 1 2 400.317 0.943 20 0 HCADLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000029681689 1079660974 /nfs/dbraw/zinc/66/09/74/1079660974.db2.gz VOQFSURQMUBVIR-QGZVFWFLSA-N 1 2 424.567 0.731 20 0 HCADLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000029681693 1079660894 /nfs/dbraw/zinc/66/08/94/1079660894.db2.gz VOQFSURQMUBVIR-KRWDZBQOSA-N 1 2 424.567 0.731 20 0 HCADLO CCN(CC(=O)NC(C)C)C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000029702318 1079664276 /nfs/dbraw/zinc/66/42/76/1079664276.db2.gz LTBZUDBJUCBVOP-UHFFFAOYSA-N 1 2 418.538 0.949 20 0 HCADLO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+](CCC(=O)NC(N)=O)CC2)c1 ZINC000029836188 1079668102 /nfs/dbraw/zinc/66/81/02/1079668102.db2.gz GZJYXFPVYSWXEF-UHFFFAOYSA-N 1 2 405.480 0.435 20 0 HCADLO CNC(=O)NC(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000029838136 1079669071 /nfs/dbraw/zinc/66/90/71/1079669071.db2.gz YCRQVCAMEDRYCS-UHFFFAOYSA-N 1 2 419.507 0.695 20 0 HCADLO Cc1cc(N)nc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)[nH+]1 ZINC000029914003 1079669835 /nfs/dbraw/zinc/66/98/35/1079669835.db2.gz YCVUCAGEDORNGU-STQMWFEESA-N 1 2 400.526 0.654 20 0 HCADLO Cc1cc(N)nc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)[nH+]1 ZINC000029914006 1079669612 /nfs/dbraw/zinc/66/96/12/1079669612.db2.gz YCVUCAGEDORNGU-QWHCGFSZSA-N 1 2 400.526 0.654 20 0 HCADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000029921072 1079669854 /nfs/dbraw/zinc/66/98/54/1079669854.db2.gz WOKCLAICPRJIEU-UHFFFAOYSA-N 1 2 407.474 0.899 20 0 HCADLO CCCCNC(=O)C1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000029926961 1079670763 /nfs/dbraw/zinc/67/07/63/1079670763.db2.gz FOSGSFIWOCZRTC-UHFFFAOYSA-N 1 2 421.542 0.596 20 0 HCADLO CCCCNC(=O)C1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000029928336 1079670741 /nfs/dbraw/zinc/67/07/41/1079670741.db2.gz BLWRCGYZCRTHFD-UHFFFAOYSA-N 1 2 407.515 0.586 20 0 HCADLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 ZINC000029929837 1079670601 /nfs/dbraw/zinc/67/06/01/1079670601.db2.gz XETLOEGDTOHWOG-UHFFFAOYSA-N 1 2 415.494 0.460 20 0 HCADLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 ZINC000029929837 1079670597 /nfs/dbraw/zinc/67/05/97/1079670597.db2.gz XETLOEGDTOHWOG-UHFFFAOYSA-N 1 2 415.494 0.460 20 0 HCADLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000029931193 1079670672 /nfs/dbraw/zinc/67/06/72/1079670672.db2.gz FBXWDWMFCPMJDH-UHFFFAOYSA-N 1 2 401.467 0.449 20 0 HCADLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000029931193 1079670666 /nfs/dbraw/zinc/67/06/66/1079670666.db2.gz FBXWDWMFCPMJDH-UHFFFAOYSA-N 1 2 401.467 0.449 20 0 HCADLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000029934292 1079670774 /nfs/dbraw/zinc/67/07/74/1079670774.db2.gz BAYWJSOKSVOBFZ-GFCCVEGCSA-N 1 2 400.476 0.803 20 0 HCADLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000029934294 1079670687 /nfs/dbraw/zinc/67/06/87/1079670687.db2.gz BAYWJSOKSVOBFZ-LBPRGKRZSA-N 1 2 400.476 0.803 20 0 HCADLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000029935709 1079670754 /nfs/dbraw/zinc/67/07/54/1079670754.db2.gz VYWQFWGAGPPPGM-GFCCVEGCSA-N 1 2 412.487 0.945 20 0 HCADLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000029935711 1079670704 /nfs/dbraw/zinc/67/07/04/1079670704.db2.gz VYWQFWGAGPPPGM-LBPRGKRZSA-N 1 2 412.487 0.945 20 0 HCADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029952911 1079671441 /nfs/dbraw/zinc/67/14/41/1079671441.db2.gz PJANLDSLHUSHKR-UHFFFAOYSA-N 1 2 413.297 0.705 20 0 HCADLO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2=O)cc1 ZINC000029961582 1077235896 /nfs/dbraw/zinc/23/58/96/1077235896.db2.gz UQKUZIULPFYZSI-OAQYLSRUSA-N 1 2 402.495 0.989 20 0 HCADLO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2=O)cc1 ZINC000029961587 1077235696 /nfs/dbraw/zinc/23/56/96/1077235696.db2.gz UQKUZIULPFYZSI-NRFANRHFSA-N 1 2 402.495 0.989 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2=O)cc1 ZINC000029961749 1077235912 /nfs/dbraw/zinc/23/59/12/1077235912.db2.gz SGLPXSAKQXLOIA-OAQYLSRUSA-N 1 2 418.494 0.689 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2=O)cc1 ZINC000029961753 1077235836 /nfs/dbraw/zinc/23/58/36/1077235836.db2.gz SGLPXSAKQXLOIA-NRFANRHFSA-N 1 2 418.494 0.689 20 0 HCADLO CC(C)(CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[NH+]1CCOCC1 ZINC000029961757 1077235947 /nfs/dbraw/zinc/23/59/47/1077235947.db2.gz ZQCTZMKHKUNLRV-OAQYLSRUSA-N 1 2 400.479 0.607 20 0 HCADLO CC(C)(CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[NH+]1CCOCC1 ZINC000029961761 1077235856 /nfs/dbraw/zinc/23/58/56/1077235856.db2.gz ZQCTZMKHKUNLRV-NRFANRHFSA-N 1 2 400.479 0.607 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000030004141 1079673584 /nfs/dbraw/zinc/67/35/84/1079673584.db2.gz ILILOQWOZARFRY-UHFFFAOYSA-N 1 2 418.523 0.926 20 0 HCADLO O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCCO2 ZINC000030004163 1079673632 /nfs/dbraw/zinc/67/36/32/1079673632.db2.gz JXNZDGUGGYIQNJ-UHFFFAOYSA-N 1 2 419.507 0.738 20 0 HCADLO COc1ccc(OC)c(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000030004280 1079673612 /nfs/dbraw/zinc/67/36/12/1079673612.db2.gz HIWIRYBVMBDKAS-UHFFFAOYSA-N 1 2 421.523 0.984 20 0 HCADLO COc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1OC ZINC000030004282 1079673450 /nfs/dbraw/zinc/67/34/50/1079673450.db2.gz SSQZOESZGPLACA-UHFFFAOYSA-N 1 2 421.523 0.984 20 0 HCADLO COC(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000030004331 1079673662 /nfs/dbraw/zinc/67/36/62/1079673662.db2.gz VRDDMDHVXVQGCD-UHFFFAOYSA-N 1 2 419.507 0.754 20 0 HCADLO CNC(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000030004335 1079673601 /nfs/dbraw/zinc/67/36/01/1079673601.db2.gz LYKIXLACOMQERX-UHFFFAOYSA-N 1 2 418.523 0.327 20 0 HCADLO COC(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000030004375 1079673560 /nfs/dbraw/zinc/67/35/60/1079673560.db2.gz OGHSCDLKPNASEL-UHFFFAOYSA-N 1 2 419.507 0.754 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000030011698 1077251012 /nfs/dbraw/zinc/25/10/12/1077251012.db2.gz YOGODQKUOPOQDG-OAHLLOKOSA-N 1 2 419.507 0.464 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000030011699 1077251145 /nfs/dbraw/zinc/25/11/45/1077251145.db2.gz YOGODQKUOPOQDG-HNNXBMFYSA-N 1 2 419.507 0.464 20 0 HCADLO CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O)[NH+]1CCOCC1 ZINC000030027667 1077259736 /nfs/dbraw/zinc/25/97/36/1077259736.db2.gz ZXRRJMJHNRKZAV-FQEVSTJZSA-N 1 2 424.448 0.959 20 0 HCADLO CC(C)(CNC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O)[NH+]1CCOCC1 ZINC000030027668 1077259536 /nfs/dbraw/zinc/25/95/36/1077259536.db2.gz ZXRRJMJHNRKZAV-HXUWFJFHSA-N 1 2 424.448 0.959 20 0 HCADLO CCOC(=O)c1c(C)oc2ncn(CC(=O)NCC(C)(C)[NH+]3CCOCC3)c(=O)c21 ZINC000030027942 1079674149 /nfs/dbraw/zinc/67/41/49/1079674149.db2.gz PFYBZVJFZFRDEQ-UHFFFAOYSA-N 1 2 420.466 0.702 20 0 HCADLO CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[NH+]1CCOCC1 ZINC000030028068 1077259493 /nfs/dbraw/zinc/25/94/93/1077259493.db2.gz LXRBCMTYBTZULO-FQEVSTJZSA-N 1 2 406.458 0.820 20 0 HCADLO CC(C)(CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[NH+]1CCOCC1 ZINC000030028069 1077259623 /nfs/dbraw/zinc/25/96/23/1077259623.db2.gz LXRBCMTYBTZULO-HXUWFJFHSA-N 1 2 406.458 0.820 20 0 HCADLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030130312 1079674308 /nfs/dbraw/zinc/67/43/08/1079674308.db2.gz IKFVKSYQWSYLDW-GFCCVEGCSA-N 1 2 401.460 0.246 20 0 HCADLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030130315 1079674300 /nfs/dbraw/zinc/67/43/00/1079674300.db2.gz IKFVKSYQWSYLDW-LBPRGKRZSA-N 1 2 401.460 0.246 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000030132236 1079971775 /nfs/dbraw/zinc/97/17/75/1079971775.db2.gz DZCQIDHMILKGID-UHFFFAOYSA-N 1 2 404.533 0.081 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000030134402 1079675148 /nfs/dbraw/zinc/67/51/48/1079675148.db2.gz JDCLNMSQVPLQCP-MRXNPFEDSA-N 1 2 411.524 0.736 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000030134405 1079675106 /nfs/dbraw/zinc/67/51/06/1079675106.db2.gz JDCLNMSQVPLQCP-INIZCTEOSA-N 1 2 411.524 0.736 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000030134777 1079674940 /nfs/dbraw/zinc/67/49/40/1079674940.db2.gz MWZSSAQQNKNAEY-UHFFFAOYSA-N 1 2 402.542 0.868 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000030135343 1079675058 /nfs/dbraw/zinc/67/50/58/1079675058.db2.gz OEKLIYGSPJXGIN-UHFFFAOYSA-N 1 2 424.567 0.684 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000030136885 1079674975 /nfs/dbraw/zinc/67/49/75/1079674975.db2.gz RJLZSPQCCRZRRA-JTQLQIEISA-N 1 2 402.439 0.557 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000030136889 1079675130 /nfs/dbraw/zinc/67/51/30/1079675130.db2.gz RJLZSPQCCRZRRA-SNVBAGLBSA-N 1 2 402.439 0.557 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)c3ccco3)CC2)c1 ZINC000030146530 1079675123 /nfs/dbraw/zinc/67/51/23/1079675123.db2.gz MXNNMCHQADGKFB-UHFFFAOYSA-N 1 2 406.464 0.714 20 0 HCADLO O=C(CC[NH+]1CCN(C(=O)c2ccco2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000030146569 1077262115 /nfs/dbraw/zinc/26/21/15/1077262115.db2.gz FCXJJNUYCWOLPG-UHFFFAOYSA-N 1 2 417.466 0.713 20 0 HCADLO CC1(C)C[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCO1 ZINC000030195929 1079675634 /nfs/dbraw/zinc/67/56/34/1079675634.db2.gz DKPCKGGVMKNPDR-SFHVURJKSA-N 1 2 403.479 0.608 20 0 HCADLO CC1(C)C[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCO1 ZINC000030195929 1079675630 /nfs/dbraw/zinc/67/56/30/1079675630.db2.gz DKPCKGGVMKNPDR-SFHVURJKSA-N 1 2 403.479 0.608 20 0 HCADLO CC1(C)C[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCO1 ZINC000030195930 1079675589 /nfs/dbraw/zinc/67/55/89/1079675589.db2.gz DKPCKGGVMKNPDR-GOSISDBHSA-N 1 2 403.479 0.608 20 0 HCADLO CC1(C)C[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCO1 ZINC000030195930 1079675584 /nfs/dbraw/zinc/67/55/84/1079675584.db2.gz DKPCKGGVMKNPDR-GOSISDBHSA-N 1 2 403.479 0.608 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCOC(C)(C)C3)CC2)cc1 ZINC000030196108 1079675718 /nfs/dbraw/zinc/67/57/18/1079675718.db2.gz MKGVIFJGQWMJIV-UHFFFAOYSA-N 1 2 423.535 0.833 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCOC(C)(C)C3)CC2)cc1 ZINC000030196108 1079675711 /nfs/dbraw/zinc/67/57/11/1079675711.db2.gz MKGVIFJGQWMJIV-UHFFFAOYSA-N 1 2 423.535 0.833 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCOC(C)(C)C3)CC2)cc1 ZINC000030196169 1079675819 /nfs/dbraw/zinc/67/58/19/1079675819.db2.gz IGTVCTOPHYTFKL-UHFFFAOYSA-N 1 2 411.524 0.639 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCOC(C)(C)C3)CC2)cc1 ZINC000030196169 1079675811 /nfs/dbraw/zinc/67/58/11/1079675811.db2.gz IGTVCTOPHYTFKL-UHFFFAOYSA-N 1 2 411.524 0.639 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCOC(C)(C)C3)CC2)c1 ZINC000030196485 1079675748 /nfs/dbraw/zinc/67/57/48/1079675748.db2.gz FTPSCKFNNFHJCE-UHFFFAOYSA-N 1 2 423.535 0.833 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCOC(C)(C)C3)CC2)c1 ZINC000030196485 1079675746 /nfs/dbraw/zinc/67/57/46/1079675746.db2.gz FTPSCKFNNFHJCE-UHFFFAOYSA-N 1 2 423.535 0.833 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCOC(C)(C)C2)CC1 ZINC000030196499 1079675679 /nfs/dbraw/zinc/67/56/79/1079675679.db2.gz GWEGBDHBYBSGKT-UHFFFAOYSA-N 1 2 400.501 0.235 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000030196499 1079675671 /nfs/dbraw/zinc/67/56/71/1079675671.db2.gz GWEGBDHBYBSGKT-UHFFFAOYSA-N 1 2 400.501 0.235 20 0 HCADLO Cn1c2ncn(CCC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)c2c(=O)n(C)c1=O ZINC000030218138 1079675859 /nfs/dbraw/zinc/67/58/59/1079675859.db2.gz OXTRYZMYSOJBBG-UHFFFAOYSA-N 1 2 421.461 0.385 20 0 HCADLO CC(C)N(C)C(=O)C1CC[NH+](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000030271490 1079972989 /nfs/dbraw/zinc/97/29/89/1079972989.db2.gz ZBFVBMWMAUCTAU-UHFFFAOYSA-N 1 2 405.455 0.935 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(=O)n(C)c1=O ZINC000030271630 1079676547 /nfs/dbraw/zinc/67/65/47/1079676547.db2.gz KXQJWYMRNUZQOF-UHFFFAOYSA-N 1 2 421.542 0.547 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(=O)[nH]c1=O ZINC000030273353 1079676637 /nfs/dbraw/zinc/67/66/37/1079676637.db2.gz VUGDBJPRURPAEE-UHFFFAOYSA-N 1 2 407.515 0.536 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000030277619 1079676670 /nfs/dbraw/zinc/67/66/70/1079676670.db2.gz KLKAEKXHLLYROF-UHFFFAOYSA-N 1 2 408.524 0.866 20 0 HCADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c1C ZINC000030281796 1079676527 /nfs/dbraw/zinc/67/65/27/1079676527.db2.gz VNLXVYPFXONFJJ-UHFFFAOYSA-N 1 2 408.524 0.880 20 0 HCADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030284104 1079677514 /nfs/dbraw/zinc/67/75/14/1079677514.db2.gz SHIPXZYOUJNFGO-UHFFFAOYSA-N 1 2 406.508 0.214 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030284113 1079677593 /nfs/dbraw/zinc/67/75/93/1079677593.db2.gz LAZDBWQKSBNLEF-CYBMUJFWSA-N 1 2 420.535 0.602 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030284116 1079677255 /nfs/dbraw/zinc/67/72/55/1079677255.db2.gz LAZDBWQKSBNLEF-ZDUSSCGKSA-N 1 2 420.535 0.602 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OCCOC)cc2)CC1 ZINC000030424205 1079974763 /nfs/dbraw/zinc/97/47/63/1079974763.db2.gz QKAYXHGPUCAVGW-UHFFFAOYSA-N 1 2 413.540 0.981 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000030424234 1079681009 /nfs/dbraw/zinc/68/10/09/1079681009.db2.gz SWTCDDDOBLVOTC-UHFFFAOYSA-N 1 2 418.560 0.087 20 0 HCADLO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030541273 1077277115 /nfs/dbraw/zinc/27/71/15/1077277115.db2.gz QMPXREZIZACYTG-OAHLLOKOSA-N 1 2 424.548 0.558 20 0 HCADLO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030541278 1077277042 /nfs/dbraw/zinc/27/70/42/1077277042.db2.gz QMPXREZIZACYTG-HNNXBMFYSA-N 1 2 424.548 0.558 20 0 HCADLO Cn1c(=O)c2cc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cnc2n(C)c1=O ZINC000030563873 1079684098 /nfs/dbraw/zinc/68/40/98/1079684098.db2.gz FNMIHGPDHHBATI-UHFFFAOYSA-N 1 2 404.430 0.807 20 0 HCADLO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000030586260 1079684852 /nfs/dbraw/zinc/68/48/52/1079684852.db2.gz MYCPFYUYNSZBDW-UHFFFAOYSA-N 1 2 408.458 0.913 20 0 HCADLO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000030586488 1079684831 /nfs/dbraw/zinc/68/48/31/1079684831.db2.gz UMGRWQYETMRYTH-UHFFFAOYSA-N 1 2 408.458 0.838 20 0 HCADLO CS(=O)(=O)NC[C@@H]1CCCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000030589641 1079684986 /nfs/dbraw/zinc/68/49/86/1079684986.db2.gz NARFRGKXBXVKRY-IBGZPJMESA-N 1 2 424.567 0.861 20 0 HCADLO CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000030589642 1079684772 /nfs/dbraw/zinc/68/47/72/1079684772.db2.gz NARFRGKXBXVKRY-LJQANCHMSA-N 1 2 424.567 0.861 20 0 HCADLO Cc1ccc2ncc(C(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)c(=O)n2c1 ZINC000030625996 1079686720 /nfs/dbraw/zinc/68/67/20/1079686720.db2.gz NREPQNPGWWUEGQ-UHFFFAOYSA-N 1 2 404.434 0.642 20 0 HCADLO CCOC(=O)N1CCC[C@@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000030625998 1077284966 /nfs/dbraw/zinc/28/49/66/1077284966.db2.gz KVTGYJZWXZSVRB-CQSZACIVSA-N 1 2 401.471 0.880 20 0 HCADLO CCOC(=O)N1CCC[C@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000030626000 1077285048 /nfs/dbraw/zinc/28/50/48/1077285048.db2.gz KVTGYJZWXZSVRB-AWEZNQCLSA-N 1 2 401.471 0.880 20 0 HCADLO C[C@@H](OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030693963 1079688752 /nfs/dbraw/zinc/68/87/52/1079688752.db2.gz GGFHKBAFGBADIX-QGZVFWFLSA-N 1 2 410.540 0.228 20 0 HCADLO C[C@H](OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030693972 1079688681 /nfs/dbraw/zinc/68/86/81/1079688681.db2.gz GGFHKBAFGBADIX-KRWDZBQOSA-N 1 2 410.540 0.228 20 0 HCADLO CCn1nc(C(C)C)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030694645 1079688569 /nfs/dbraw/zinc/68/85/69/1079688569.db2.gz ZUUADZSASPGFDZ-UHFFFAOYSA-N 1 2 412.560 0.276 20 0 HCADLO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030695101 1079688599 /nfs/dbraw/zinc/68/85/99/1079688599.db2.gz DHCICNKWEVGPGV-OAHLLOKOSA-N 1 2 414.503 0.229 20 0 HCADLO C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030695107 1079688741 /nfs/dbraw/zinc/68/87/41/1079688741.db2.gz DHCICNKWEVGPGV-HNNXBMFYSA-N 1 2 414.503 0.229 20 0 HCADLO C[C@@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030695115 1079689340 /nfs/dbraw/zinc/68/93/40/1079689340.db2.gz ONGSFWLFSWFDEJ-OAHLLOKOSA-N 1 2 414.503 0.229 20 0 HCADLO C[C@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030695124 1079689483 /nfs/dbraw/zinc/68/94/83/1079689483.db2.gz ONGSFWLFSWFDEJ-HNNXBMFYSA-N 1 2 414.503 0.229 20 0 HCADLO Cc1[nH]c2ccccc2c1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030695145 1079689535 /nfs/dbraw/zinc/68/95/35/1079689535.db2.gz UAPFBPNXHRCILG-UHFFFAOYSA-N 1 2 419.551 0.655 20 0 HCADLO Cc1ccc2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)[nH]c2c1 ZINC000030695702 1079689554 /nfs/dbraw/zinc/68/95/54/1079689554.db2.gz PSRSORXRRLZDDQ-UHFFFAOYSA-N 1 2 405.524 0.726 20 0 HCADLO CSc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000030695898 1079689469 /nfs/dbraw/zinc/68/94/69/1079689469.db2.gz SCOPNMWSJFMITP-UHFFFAOYSA-N 1 2 412.581 0.967 20 0 HCADLO COc1ccc(F)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030696261 1079689263 /nfs/dbraw/zinc/68/92/63/1079689263.db2.gz POVKROVDGYSZLU-UHFFFAOYSA-N 1 2 400.476 0.084 20 0 HCADLO COc1cc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1C ZINC000030696771 1079689516 /nfs/dbraw/zinc/68/95/16/1079689516.db2.gz NOWHHEQAWGNOFE-UHFFFAOYSA-N 1 2 410.540 0.183 20 0 HCADLO CC(C)OCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000030696996 1079690146 /nfs/dbraw/zinc/69/01/46/1079690146.db2.gz HOASUSVMAZFVDF-UHFFFAOYSA-N 1 2 424.567 0.862 20 0 HCADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2ccccc2n1 ZINC000030698350 1079690353 /nfs/dbraw/zinc/69/03/53/1079690353.db2.gz FVQVCWLRQSOPBY-UHFFFAOYSA-N 1 2 417.535 0.793 20 0 HCADLO Cc1ccc(C)c(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000030698591 1079690104 /nfs/dbraw/zinc/69/01/04/1079690104.db2.gz UNMZESUWDGRPTK-UHFFFAOYSA-N 1 2 410.540 0.319 20 0 HCADLO Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000030698606 1079690333 /nfs/dbraw/zinc/69/03/33/1079690333.db2.gz XCQONMKXWNZNPK-UHFFFAOYSA-N 1 2 410.540 0.319 20 0 HCADLO Cc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000030698809 1079690234 /nfs/dbraw/zinc/69/02/34/1079690234.db2.gz YFLGSRYJOZKUHP-UHFFFAOYSA-N 1 2 422.551 0.594 20 0 HCADLO CC(C)COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000030698973 1079690193 /nfs/dbraw/zinc/69/01/93/1079690193.db2.gz XJZGQHGEPHAEOO-UHFFFAOYSA-N 1 2 424.567 0.971 20 0 HCADLO COc1ccccc1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030699527 1079690059 /nfs/dbraw/zinc/69/00/59/1079690059.db2.gz PEYWZEFGKKLBGA-UHFFFAOYSA-N 1 2 410.540 0.264 20 0 HCADLO CN(C)C(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000030968681 1079693887 /nfs/dbraw/zinc/69/38/87/1079693887.db2.gz ZDWBPLWLHKOUDE-UHFFFAOYSA-N 1 2 403.527 0.434 20 0 HCADLO COCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000030995174 1079694075 /nfs/dbraw/zinc/69/40/75/1079694075.db2.gz AFGRTKAQIKPQRN-UHFFFAOYSA-N 1 2 405.904 0.878 20 0 HCADLO COCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000030995174 1079694066 /nfs/dbraw/zinc/69/40/66/1079694066.db2.gz AFGRTKAQIKPQRN-UHFFFAOYSA-N 1 2 405.904 0.878 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000031031343 1079694766 /nfs/dbraw/zinc/69/47/66/1079694766.db2.gz CSXINBMYPYMESB-UHFFFAOYSA-N 1 2 416.467 0.365 20 0 HCADLO Cc1ccccc1CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000031086029 1079695498 /nfs/dbraw/zinc/69/54/98/1079695498.db2.gz XJJNNGVPNVZHQF-UHFFFAOYSA-N 1 2 409.556 0.357 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031095139 1079695526 /nfs/dbraw/zinc/69/55/26/1079695526.db2.gz VCYCTYSXQPMMJP-INIZCTEOSA-N 1 2 400.526 0.663 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031095141 1079695661 /nfs/dbraw/zinc/69/56/61/1079695661.db2.gz VCYCTYSXQPMMJP-MRXNPFEDSA-N 1 2 400.526 0.663 20 0 HCADLO O=C(NCc1ccnc(N2CCOCC2)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031169381 1079697402 /nfs/dbraw/zinc/69/74/02/1079697402.db2.gz PSPWSFZEJRPUJH-FQEVSTJZSA-N 1 2 421.567 0.925 20 0 HCADLO O=C(NCc1ccnc(N2CCOCC2)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031169386 1079697498 /nfs/dbraw/zinc/69/74/98/1079697498.db2.gz PSPWSFZEJRPUJH-HXUWFJFHSA-N 1 2 421.567 0.925 20 0 HCADLO COc1cccc(C(=O)NCCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031169465 1079697304 /nfs/dbraw/zinc/69/73/04/1079697304.db2.gz AEAXFGWRGVTSPR-FQEVSTJZSA-N 1 2 422.551 0.932 20 0 HCADLO COc1cccc(C(=O)NCCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031169470 1079697436 /nfs/dbraw/zinc/69/74/36/1079697436.db2.gz AEAXFGWRGVTSPR-HXUWFJFHSA-N 1 2 422.551 0.932 20 0 HCADLO CCOC(=O)[C@@H]1CCCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000031255944 1079701331 /nfs/dbraw/zinc/70/13/31/1079701331.db2.gz MBQFKAILOOFKEC-INIZCTEOSA-N 1 2 415.498 0.430 20 0 HCADLO CCOC(=O)[C@H]1CCCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000031255946 1079701189 /nfs/dbraw/zinc/70/11/89/1079701189.db2.gz MBQFKAILOOFKEC-MRXNPFEDSA-N 1 2 415.498 0.430 20 0 HCADLO CS(=O)(=O)Nc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000031284677 1079701836 /nfs/dbraw/zinc/70/18/36/1079701836.db2.gz OTJRJQZHRGTSIF-UHFFFAOYSA-N 1 2 408.524 0.828 20 0 HCADLO CS(=O)(=O)Nc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000031284677 1079701828 /nfs/dbraw/zinc/70/18/28/1079701828.db2.gz OTJRJQZHRGTSIF-UHFFFAOYSA-N 1 2 408.524 0.828 20 0 HCADLO CC(C)[N@@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000031346402 1079702527 /nfs/dbraw/zinc/70/25/27/1079702527.db2.gz NWJFVGNYHSKUNJ-UHFFFAOYSA-N 1 2 410.540 0.673 20 0 HCADLO CC(C)[N@H+](CC(N)=O)CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000031346402 1079702516 /nfs/dbraw/zinc/70/25/16/1079702516.db2.gz NWJFVGNYHSKUNJ-UHFFFAOYSA-N 1 2 410.540 0.673 20 0 HCADLO O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000031439431 1079703083 /nfs/dbraw/zinc/70/30/83/1079703083.db2.gz RWFPJYVHNIUKRY-HXUWFJFHSA-N 1 2 418.519 0.563 20 0 HCADLO O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000031439436 1079703226 /nfs/dbraw/zinc/70/32/26/1079703226.db2.gz RWFPJYVHNIUKRY-FQEVSTJZSA-N 1 2 418.519 0.563 20 0 HCADLO O=C(Cn1nnn(-c2ccccc2)c1=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000031446681 1079703206 /nfs/dbraw/zinc/70/32/06/1079703206.db2.gz VFZBVKYYXOWGPJ-UHFFFAOYSA-N 1 2 408.462 0.578 20 0 HCADLO COc1ncccc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000031485593 1077363793 /nfs/dbraw/zinc/36/37/93/1077363793.db2.gz PGDDPEJPEBXTSW-UHFFFAOYSA-N 1 2 411.422 0.273 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000031711749 1079708502 /nfs/dbraw/zinc/70/85/02/1079708502.db2.gz NLVIZDZZLSMMKU-UHFFFAOYSA-N 1 2 424.548 0.505 20 0 HCADLO Cc1cc(N)nc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)[nH+]1 ZINC000031745630 1079709741 /nfs/dbraw/zinc/70/97/41/1079709741.db2.gz NBMIEMJXBZIFOJ-UHFFFAOYSA-N 1 2 412.475 0.833 20 0 HCADLO NC(=O)c1ccc(-c2nnn(CC(=O)N3CC[NH+](Cc4cccs4)CC3)n2)cc1 ZINC000031763430 1079709994 /nfs/dbraw/zinc/70/99/94/1079709994.db2.gz DFKGCALXWSNEMG-UHFFFAOYSA-N 1 2 411.491 0.845 20 0 HCADLO Cn1cc(S(N)(=O)=O)cc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000031824624 1079711328 /nfs/dbraw/zinc/71/13/28/1079711328.db2.gz DVNUKLJUJFZLIT-UHFFFAOYSA-N 1 2 409.487 0.364 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nnc(N)n2C2CC2)CC1 ZINC000031852346 1079711283 /nfs/dbraw/zinc/71/12/83/1079711283.db2.gz IHWRXQFLMCBBDU-UHFFFAOYSA-N 1 2 414.499 0.313 20 0 HCADLO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031934488 1079711959 /nfs/dbraw/zinc/71/19/59/1079711959.db2.gz RPYOSHOHINIISC-IBGZPJMESA-N 1 2 404.492 0.014 20 0 HCADLO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031934489 1079712592 /nfs/dbraw/zinc/71/25/92/1079712592.db2.gz RPYOSHOHINIISC-LJQANCHMSA-N 1 2 404.492 0.014 20 0 HCADLO CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031935388 1079712508 /nfs/dbraw/zinc/71/25/08/1079712508.db2.gz PLQXAFSFLIAPTQ-INIZCTEOSA-N 1 2 402.542 0.203 20 0 HCADLO CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031935390 1079712389 /nfs/dbraw/zinc/71/23/89/1079712389.db2.gz PLQXAFSFLIAPTQ-MRXNPFEDSA-N 1 2 402.542 0.203 20 0 HCADLO CN(CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)S(=O)(=O)c1ccccc1 ZINC000031935589 1079712648 /nfs/dbraw/zinc/71/26/48/1079712648.db2.gz UPQPXGNVVXYKGR-SFHVURJKSA-N 1 2 413.565 0.631 20 0 HCADLO CN(CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)S(=O)(=O)c1ccccc1 ZINC000031935591 1079712328 /nfs/dbraw/zinc/71/23/28/1079712328.db2.gz UPQPXGNVVXYKGR-GOSISDBHSA-N 1 2 413.565 0.631 20 0 HCADLO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031937625 1079712784 /nfs/dbraw/zinc/71/27/84/1079712784.db2.gz LUEGDJLTBZHAEW-IBGZPJMESA-N 1 2 404.492 0.014 20 0 HCADLO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031937626 1079712625 /nfs/dbraw/zinc/71/26/25/1079712625.db2.gz LUEGDJLTBZHAEW-LJQANCHMSA-N 1 2 404.492 0.014 20 0 HCADLO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000031937668 1080007257 /nfs/dbraw/zinc/00/72/57/1080007257.db2.gz ZWYCMRHLVCXIMF-LJQANCHMSA-N 1 2 423.560 0.536 20 0 HCADLO CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000031938197 1079712758 /nfs/dbraw/zinc/71/27/58/1079712758.db2.gz IWRBOZWPQUTGQU-SFHVURJKSA-N 1 2 413.565 0.923 20 0 HCADLO CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000031938199 1079712572 /nfs/dbraw/zinc/71/25/72/1079712572.db2.gz IWRBOZWPQUTGQU-GOSISDBHSA-N 1 2 413.565 0.923 20 0 HCADLO O=C(CCn1nnc2ccccc2c1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031938740 1079712688 /nfs/dbraw/zinc/71/26/88/1079712688.db2.gz RPFXFDDLROYYGQ-IBGZPJMESA-N 1 2 403.508 0.506 20 0 HCADLO O=C(CCn1nnc2ccccc2c1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031938745 1079712352 /nfs/dbraw/zinc/71/23/52/1079712352.db2.gz RPFXFDDLROYYGQ-LJQANCHMSA-N 1 2 403.508 0.506 20 0 HCADLO COc1cc(OC)cc(C(=O)NCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031939566 1079712521 /nfs/dbraw/zinc/71/25/21/1079712521.db2.gz STRITJXPGPIUFA-FQEVSTJZSA-N 1 2 423.535 0.758 20 0 HCADLO COc1cc(OC)cc(C(=O)NCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031939568 1079712743 /nfs/dbraw/zinc/71/27/43/1079712743.db2.gz STRITJXPGPIUFA-HXUWFJFHSA-N 1 2 423.535 0.758 20 0 HCADLO COc1ccc(C(=O)NCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1OC ZINC000031939653 1079712723 /nfs/dbraw/zinc/71/27/23/1079712723.db2.gz FRPWTHCSDVUVAR-FQEVSTJZSA-N 1 2 423.535 0.758 20 0 HCADLO COc1ccc(C(=O)NCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1OC ZINC000031939655 1079712451 /nfs/dbraw/zinc/71/24/51/1079712451.db2.gz FRPWTHCSDVUVAR-HXUWFJFHSA-N 1 2 423.535 0.758 20 0 HCADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031939706 1079712479 /nfs/dbraw/zinc/71/24/79/1079712479.db2.gz OUOOIWZEXXEVJV-SFHVURJKSA-N 1 2 405.528 0.190 20 0 HCADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031939708 1079712803 /nfs/dbraw/zinc/71/28/03/1079712803.db2.gz OUOOIWZEXXEVJV-GOSISDBHSA-N 1 2 405.528 0.190 20 0 HCADLO Cn1nc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c2ccccc2c1=O ZINC000031940097 1079712424 /nfs/dbraw/zinc/71/24/24/1079712424.db2.gz ZPDRCRCKPKLQRG-FQEVSTJZSA-N 1 2 402.520 0.800 20 0 HCADLO Cn1nc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c2ccccc2c1=O ZINC000031940099 1079713461 /nfs/dbraw/zinc/71/34/61/1079713461.db2.gz ZPDRCRCKPKLQRG-HXUWFJFHSA-N 1 2 402.520 0.800 20 0 HCADLO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031940183 1079713223 /nfs/dbraw/zinc/71/32/23/1079713223.db2.gz MTRXXGQHHBNOAD-IBGZPJMESA-N 1 2 404.540 0.998 20 0 HCADLO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031940185 1079712988 /nfs/dbraw/zinc/71/29/88/1079712988.db2.gz MTRXXGQHHBNOAD-LJQANCHMSA-N 1 2 404.540 0.998 20 0 HCADLO CN1C(=O)N(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C(=O)C12CCCCC2 ZINC000031940190 1079713186 /nfs/dbraw/zinc/71/31/86/1079713186.db2.gz WBMGSNOQKJFPQO-IBGZPJMESA-N 1 2 424.567 0.907 20 0 HCADLO CN1C(=O)N(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C(=O)C12CCCCC2 ZINC000031940192 1079713161 /nfs/dbraw/zinc/71/31/61/1079713161.db2.gz WBMGSNOQKJFPQO-LJQANCHMSA-N 1 2 424.567 0.907 20 0 HCADLO O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031940768 1079713363 /nfs/dbraw/zinc/71/33/63/1079713363.db2.gz QBTLZIBOWWWBGD-YRNRMSPPSA-N 1 2 409.552 0.876 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000031940990 1079713417 /nfs/dbraw/zinc/71/34/17/1079713417.db2.gz RSDRRMNOPAUMKI-SFHVURJKSA-N 1 2 413.565 0.875 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000031940991 1079713112 /nfs/dbraw/zinc/71/31/12/1079713112.db2.gz RSDRRMNOPAUMKI-GOSISDBHSA-N 1 2 413.565 0.875 20 0 HCADLO CCn1c2ccc(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)cc2[nH]c(=O)c1=O ZINC000031942019 1079713304 /nfs/dbraw/zinc/71/33/04/1079713304.db2.gz JHKOMRWPQJQXSG-FQEVSTJZSA-N 1 2 418.519 0.647 20 0 HCADLO CCn1c2ccc(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)cc2[nH]c(=O)c1=O ZINC000031942021 1079713323 /nfs/dbraw/zinc/71/33/23/1079713323.db2.gz JHKOMRWPQJQXSG-HXUWFJFHSA-N 1 2 418.519 0.647 20 0 HCADLO O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031942388 1079713137 /nfs/dbraw/zinc/71/31/37/1079713137.db2.gz FTOSZWAUJWLMNZ-SFHVURJKSA-N 1 2 410.540 0.565 20 0 HCADLO O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031942389 1079713274 /nfs/dbraw/zinc/71/32/74/1079713274.db2.gz FTOSZWAUJWLMNZ-GOSISDBHSA-N 1 2 410.540 0.565 20 0 HCADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2=O ZINC000031942539 1079713245 /nfs/dbraw/zinc/71/32/45/1079713245.db2.gz WUBNXMUOYUNVID-UIAACRFSSA-N 1 2 424.567 0.811 20 0 HCADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2=O ZINC000031942542 1079713087 /nfs/dbraw/zinc/71/30/87/1079713087.db2.gz WUBNXMUOYUNVID-XPGWFJOJSA-N 1 2 424.567 0.811 20 0 HCADLO O=C(CCNS(=O)(=O)c1ccccc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031942657 1079713402 /nfs/dbraw/zinc/71/34/02/1079713402.db2.gz AHPKUWKGHBCRTL-SFHVURJKSA-N 1 2 413.565 0.679 20 0 HCADLO O=C(CCNS(=O)(=O)c1ccccc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031942658 1079713059 /nfs/dbraw/zinc/71/30/59/1079713059.db2.gz AHPKUWKGHBCRTL-GOSISDBHSA-N 1 2 413.565 0.679 20 0 HCADLO Cn1cc(/C=C/C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000032432188 1077864107 /nfs/dbraw/zinc/86/41/07/1077864107.db2.gz IVZUTCRJLVOLRU-CMDGGOBGSA-N 1 2 411.462 0.124 20 0 HCADLO O=S(=O)(Cc1ccccc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032439600 1079722382 /nfs/dbraw/zinc/72/23/82/1079722382.db2.gz UEAYCEPNKFUKHR-UHFFFAOYSA-N 1 2 424.548 0.653 20 0 HCADLO CNC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cn1C ZINC000032440884 1079722550 /nfs/dbraw/zinc/72/25/50/1079722550.db2.gz DPHDVPLTTLYVDO-MRXNPFEDSA-N 1 2 419.551 0.874 20 0 HCADLO CNC(=O)c1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cn1C ZINC000032440885 1079722687 /nfs/dbraw/zinc/72/26/87/1079722687.db2.gz DPHDVPLTTLYVDO-INIZCTEOSA-N 1 2 419.551 0.874 20 0 HCADLO COC[C@@H](C)NC(=O)NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000032489600 1079723194 /nfs/dbraw/zinc/72/31/94/1079723194.db2.gz DOIKWHNUJIBYCA-OAHLLOKOSA-N 1 2 406.483 0.436 20 0 HCADLO COC[C@H](C)NC(=O)NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000032489601 1079723326 /nfs/dbraw/zinc/72/33/26/1079723326.db2.gz DOIKWHNUJIBYCA-HNNXBMFYSA-N 1 2 406.483 0.436 20 0 HCADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000032538138 1079723913 /nfs/dbraw/zinc/72/39/13/1079723913.db2.gz OAKVXGDAYJLHAG-UHFFFAOYSA-N 1 2 417.554 0.573 20 0 HCADLO COC(=O)c1ccc2c(c1)nc(CN1CC[NH+](CC(=O)N3CCCC3)CC1)[nH]c2=O ZINC000032539154 1079724018 /nfs/dbraw/zinc/72/40/18/1079724018.db2.gz ISZSCTKSWKKWIQ-UHFFFAOYSA-N 1 2 413.478 0.450 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539658 1079724060 /nfs/dbraw/zinc/72/40/60/1079724060.db2.gz BADWXBVVPIEIBM-OAHLLOKOSA-N 1 2 421.523 0.900 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539658 1079724049 /nfs/dbraw/zinc/72/40/49/1079724049.db2.gz BADWXBVVPIEIBM-OAHLLOKOSA-N 1 2 421.523 0.900 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539659 1079723835 /nfs/dbraw/zinc/72/38/35/1079723835.db2.gz BADWXBVVPIEIBM-HNNXBMFYSA-N 1 2 421.523 0.900 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539659 1079723825 /nfs/dbraw/zinc/72/38/25/1079723825.db2.gz BADWXBVVPIEIBM-HNNXBMFYSA-N 1 2 421.523 0.900 20 0 HCADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539920 1079724090 /nfs/dbraw/zinc/72/40/90/1079724090.db2.gz JHHYTIBFZUIYJH-OAHLLOKOSA-N 1 2 421.523 0.900 20 0 HCADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539920 1079724082 /nfs/dbraw/zinc/72/40/82/1079724082.db2.gz JHHYTIBFZUIYJH-OAHLLOKOSA-N 1 2 421.523 0.900 20 0 HCADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539921 1079723751 /nfs/dbraw/zinc/72/37/51/1079723751.db2.gz JHHYTIBFZUIYJH-HNNXBMFYSA-N 1 2 421.523 0.900 20 0 HCADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539921 1079723743 /nfs/dbraw/zinc/72/37/43/1079723743.db2.gz JHHYTIBFZUIYJH-HNNXBMFYSA-N 1 2 421.523 0.900 20 0 HCADLO CCCCN(C(=O)C[N@@H+](C)Cc1cnn(C)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032540012 1079723794 /nfs/dbraw/zinc/72/37/94/1079723794.db2.gz WTXGMBQWGKCBFN-UHFFFAOYSA-N 1 2 419.530 0.773 20 0 HCADLO CCCCN(C(=O)C[N@H+](C)Cc1cnn(C)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032540012 1079723784 /nfs/dbraw/zinc/72/37/84/1079723784.db2.gz WTXGMBQWGKCBFN-UHFFFAOYSA-N 1 2 419.530 0.773 20 0 HCADLO CC(C)CN(C(=O)C[N@@H+](C)Cc1cnn(C)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032540201 1079723976 /nfs/dbraw/zinc/72/39/76/1079723976.db2.gz ABVWINHBGKDRQN-UHFFFAOYSA-N 1 2 419.530 0.629 20 0 HCADLO CC(C)CN(C(=O)C[N@H+](C)Cc1cnn(C)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032540201 1079723971 /nfs/dbraw/zinc/72/39/71/1079723971.db2.gz ABVWINHBGKDRQN-UHFFFAOYSA-N 1 2 419.530 0.629 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000032542499 1079724897 /nfs/dbraw/zinc/72/48/97/1079724897.db2.gz VVHMRIJARGTXNF-NSHDSACASA-N 1 2 423.495 0.052 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000032542499 1079724880 /nfs/dbraw/zinc/72/48/80/1079724880.db2.gz VVHMRIJARGTXNF-NSHDSACASA-N 1 2 423.495 0.052 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000032542500 1079724774 /nfs/dbraw/zinc/72/47/74/1079724774.db2.gz VVHMRIJARGTXNF-LLVKDONJSA-N 1 2 423.495 0.052 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000032542500 1079724763 /nfs/dbraw/zinc/72/47/63/1079724763.db2.gz VVHMRIJARGTXNF-LLVKDONJSA-N 1 2 423.495 0.052 20 0 HCADLO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000032701266 1079727835 /nfs/dbraw/zinc/72/78/35/1079727835.db2.gz FRZGUUOETVTZDR-UHFFFAOYSA-N 1 2 418.519 0.973 20 0 HCADLO Cn1c(=O)ccn(CC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1=O ZINC000032701318 1079728098 /nfs/dbraw/zinc/72/80/98/1079728098.db2.gz MGXVMAMFYMIVON-UHFFFAOYSA-N 1 2 406.870 0.424 20 0 HCADLO Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(O)c1 ZINC000032716809 1079729273 /nfs/dbraw/zinc/72/92/73/1079729273.db2.gz LFIWXJMYDZOYEQ-UHFFFAOYSA-N 1 2 404.492 0.977 20 0 HCADLO COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(O)c1 ZINC000032716952 1079729234 /nfs/dbraw/zinc/72/92/34/1079729234.db2.gz XTNKAXCJBUNHGL-UHFFFAOYSA-N 1 2 420.491 0.678 20 0 HCADLO Cc1nc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000032717032 1078066172 /nfs/dbraw/zinc/06/61/72/1078066172.db2.gz CHIJWFIJVVOWAX-UHFFFAOYSA-N 1 2 409.537 0.657 20 0 HCADLO O=C(COc1cccc(F)c1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032717388 1079729467 /nfs/dbraw/zinc/72/94/67/1079729467.db2.gz LWUZCWWCPAZFHC-UHFFFAOYSA-N 1 2 422.482 0.868 20 0 HCADLO CCOc1ncccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032717402 1079729174 /nfs/dbraw/zinc/72/91/74/1079729174.db2.gz CGDZFWKPFGFMTO-UHFFFAOYSA-N 1 2 419.507 0.757 20 0 HCADLO O=C(CCc1ccccc1O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032717517 1079729487 /nfs/dbraw/zinc/72/94/87/1079729487.db2.gz XMDFYYCGDFMLLX-UHFFFAOYSA-N 1 2 418.519 0.988 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2n[nH]nc2c1 ZINC000032717518 1079730296 /nfs/dbraw/zinc/73/02/96/1079730296.db2.gz GCDFZKINDOOAOH-UHFFFAOYSA-N 1 2 415.479 0.235 20 0 HCADLO Cc1noc(C)c1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032717580 1079729874 /nfs/dbraw/zinc/72/98/74/1079729874.db2.gz JUCUDJQJMUTTEM-UHFFFAOYSA-N 1 2 407.496 0.497 20 0 HCADLO Cc1cc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000032717593 1078066030 /nfs/dbraw/zinc/06/60/30/1078066030.db2.gz FSAZSUMRYFMUIT-UHFFFAOYSA-N 1 2 409.468 0.025 20 0 HCADLO O=C(CCc1cccnc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032717606 1079730056 /nfs/dbraw/zinc/73/00/56/1079730056.db2.gz GDDPDNQWTUEBQZ-UHFFFAOYSA-N 1 2 403.508 0.677 20 0 HCADLO CC(=O)c1c[nH]c(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000032717736 1079729947 /nfs/dbraw/zinc/72/99/47/1079729947.db2.gz SSBZXSKQPMZYCG-UHFFFAOYSA-N 1 2 405.480 0.494 20 0 HCADLO COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000032717765 1079730038 /nfs/dbraw/zinc/73/00/38/1079730038.db2.gz QVCYFRZFENJKNA-UHFFFAOYSA-N 1 2 405.480 0.367 20 0 HCADLO Cn1cc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032717790 1079729990 /nfs/dbraw/zinc/72/99/90/1079729990.db2.gz NCKIEVUVPXVBLC-UHFFFAOYSA-N 1 2 411.915 0.955 20 0 HCADLO O=C(CN1CCCCCC1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032717805 1079729848 /nfs/dbraw/zinc/72/98/48/1079729848.db2.gz IDXPEJFTABMSKJ-UHFFFAOYSA-N 1 2 423.539 0.052 20 0 HCADLO Cc1noc(C)c1CCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032717908 1078052809 /nfs/dbraw/zinc/05/28/09/1078052809.db2.gz BFKKHABSKRLUTP-UHFFFAOYSA-N 1 2 421.523 0.887 20 0 HCADLO Cc1cc(C)n(CCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000032717937 1078066090 /nfs/dbraw/zinc/06/60/90/1078066090.db2.gz PJUJUUWXGAYJEZ-UHFFFAOYSA-N 1 2 420.539 0.553 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc[nH]c1=S ZINC000032717970 1078066150 /nfs/dbraw/zinc/06/61/50/1078066150.db2.gz NSSCQFFAIVSMET-UHFFFAOYSA-N 1 2 407.521 0.647 20 0 HCADLO CNc1snc(C)c1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032718049 1079730116 /nfs/dbraw/zinc/73/01/16/1079730116.db2.gz OCBDTCBVYAJFFR-UHFFFAOYSA-N 1 2 424.552 0.770 20 0 HCADLO CCc1nnsc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032718054 1079730161 /nfs/dbraw/zinc/73/01/61/1079730161.db2.gz PFGMEXUAOLIYHC-UHFFFAOYSA-N 1 2 410.525 0.377 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc2c[nH]nc21 ZINC000032718059 1079730353 /nfs/dbraw/zinc/73/03/53/1079730353.db2.gz BCPLLTAGJNMDLB-UHFFFAOYSA-N 1 2 414.491 0.840 20 0 HCADLO COc1ncccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032718094 1079729810 /nfs/dbraw/zinc/72/98/10/1079729810.db2.gz JGLNMGGFKFOARY-UHFFFAOYSA-N 1 2 405.480 0.367 20 0 HCADLO NC(=O)c1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000032718119 1079729766 /nfs/dbraw/zinc/72/97/66/1079729766.db2.gz KGOOGJXKITXHAC-UHFFFAOYSA-N 1 2 417.491 0.062 20 0 HCADLO CN(C)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000032718213 1079729909 /nfs/dbraw/zinc/72/99/09/1079729909.db2.gz DNIHPLVXINRDQC-UHFFFAOYSA-N 1 2 418.523 0.424 20 0 HCADLO O=C(CSC(F)(F)F)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032718273 1078066065 /nfs/dbraw/zinc/06/60/65/1078066065.db2.gz CRDACQIYJIFZFB-UHFFFAOYSA-N 1 2 412.459 0.903 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)CCO2 ZINC000032718371 1078066119 /nfs/dbraw/zinc/06/61/19/1078066119.db2.gz FXZFAPOKQJEIAY-UHFFFAOYSA-N 1 2 416.503 0.898 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(C2CC2)n[nH]1 ZINC000032718400 1079730258 /nfs/dbraw/zinc/73/02/58/1079730258.db2.gz YAWQTDGIFCCYCX-UHFFFAOYSA-N 1 2 404.496 0.564 20 0 HCADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000032773493 1079731786 /nfs/dbraw/zinc/73/17/86/1079731786.db2.gz WKVSUMZXJVWHLS-WMZOPIPTSA-N 1 2 422.478 0.545 20 0 HCADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000032773494 1079731805 /nfs/dbraw/zinc/73/18/05/1079731805.db2.gz WKVSUMZXJVWHLS-AEFFLSMTSA-N 1 2 422.478 0.545 20 0 HCADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(OC)c1 ZINC000032773495 1079731531 /nfs/dbraw/zinc/73/15/31/1079731531.db2.gz WKVSUMZXJVWHLS-FUHWJXTLSA-N 1 2 422.478 0.545 20 0 HCADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(OC)c1 ZINC000032773496 1079731436 /nfs/dbraw/zinc/73/14/36/1079731436.db2.gz WKVSUMZXJVWHLS-SJLPKXTDSA-N 1 2 422.478 0.545 20 0 HCADLO CNC(=O)c1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000032783114 1079731558 /nfs/dbraw/zinc/73/15/58/1079731558.db2.gz UCWNNSYVGJWZOW-UHFFFAOYSA-N 1 2 409.450 0.451 20 0 HCADLO CCOc1ccc(C[NH+]2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)cc1 ZINC000032832987 1080009908 /nfs/dbraw/zinc/00/99/08/1080009908.db2.gz RHNKRTIVKHSMPE-UHFFFAOYSA-N 1 2 410.540 0.645 20 0 HCADLO NS(=O)(=O)N1CCC(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000032929254 1079733440 /nfs/dbraw/zinc/73/34/40/1079733440.db2.gz XAEFOMMTKIILKP-UHFFFAOYSA-N 1 2 423.539 0.121 20 0 HCADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000032938762 1079734058 /nfs/dbraw/zinc/73/40/58/1079734058.db2.gz HPLCOHCABAAFHV-QZTJIDSGSA-N 1 2 416.503 0.583 20 0 HCADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000032938763 1079734130 /nfs/dbraw/zinc/73/41/30/1079734130.db2.gz HPLCOHCABAAFHV-ZWKOTPCHSA-N 1 2 416.503 0.583 20 0 HCADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000032938764 1079734189 /nfs/dbraw/zinc/73/41/89/1079734189.db2.gz HPLCOHCABAAFHV-MSOLQXFVSA-N 1 2 416.503 0.583 20 0 HCADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000032938765 1079733980 /nfs/dbraw/zinc/73/39/80/1079733980.db2.gz HPLCOHCABAAFHV-ROUUACIJSA-N 1 2 416.503 0.583 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000033240631 1078243971 /nfs/dbraw/zinc/24/39/71/1078243971.db2.gz CGOYVRXGYJJYQB-UHFFFAOYSA-N 1 2 421.421 0.970 20 0 HCADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000036802052 1079740574 /nfs/dbraw/zinc/74/05/74/1079740574.db2.gz BEKKJLLYPCRUQO-YJBOKZPZSA-N 1 2 405.495 0.498 20 0 HCADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000036802053 1079740846 /nfs/dbraw/zinc/74/08/46/1079740846.db2.gz BEKKJLLYPCRUQO-QAPCUYQASA-N 1 2 405.495 0.498 20 0 HCADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000036802054 1079740781 /nfs/dbraw/zinc/74/07/81/1079740781.db2.gz BEKKJLLYPCRUQO-MAUKXSAKSA-N 1 2 405.495 0.498 20 0 HCADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000036802055 1079740657 /nfs/dbraw/zinc/74/06/57/1079740657.db2.gz BEKKJLLYPCRUQO-CRAIPNDOSA-N 1 2 405.495 0.498 20 0 HCADLO CC(C)(CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000038271021 1079741994 /nfs/dbraw/zinc/74/19/94/1079741994.db2.gz RMUIIJSJCLYUFK-UHFFFAOYSA-N 1 2 424.567 0.220 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(=O)N3CCCC3)cc2)CC1 ZINC000041247225 1079745173 /nfs/dbraw/zinc/74/51/73/1079745173.db2.gz AQEGVOYEIWIEBG-UHFFFAOYSA-N 1 2 401.511 0.501 20 0 HCADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000041280433 1079746163 /nfs/dbraw/zinc/74/61/63/1079746163.db2.gz NYSMANQNRBGAKZ-KRWDZBQOSA-N 1 2 411.524 0.892 20 0 HCADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000041280437 1079746007 /nfs/dbraw/zinc/74/60/07/1079746007.db2.gz NYSMANQNRBGAKZ-QGZVFWFLSA-N 1 2 411.524 0.892 20 0 HCADLO COC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000041280869 1079746116 /nfs/dbraw/zinc/74/61/16/1079746116.db2.gz KNWGARDIIMLKSV-QGZVFWFLSA-N 1 2 407.467 0.650 20 0 HCADLO COC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000041280875 1079746334 /nfs/dbraw/zinc/74/63/34/1079746334.db2.gz KNWGARDIIMLKSV-KRWDZBQOSA-N 1 2 407.467 0.650 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000041308805 1079747418 /nfs/dbraw/zinc/74/74/18/1079747418.db2.gz MTXPNPWPXZWZGF-MRXNPFEDSA-N 1 2 402.451 0.324 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000041308808 1079747274 /nfs/dbraw/zinc/74/72/74/1079747274.db2.gz MTXPNPWPXZWZGF-INIZCTEOSA-N 1 2 402.451 0.324 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1)[NH+]1CCOCC1 ZINC000041309126 1080019664 /nfs/dbraw/zinc/01/96/64/1080019664.db2.gz QMPVOPDCGKTWEL-QGZVFWFLSA-N 1 2 403.483 0.628 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1)[NH+]1CCOCC1 ZINC000041309130 1080019971 /nfs/dbraw/zinc/01/99/71/1080019971.db2.gz QMPVOPDCGKTWEL-KRWDZBQOSA-N 1 2 403.483 0.628 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)[NH+]1CCOCC1 ZINC000041309285 1080019821 /nfs/dbraw/zinc/01/98/21/1080019821.db2.gz DXWNAFCCBJDKEA-BBRMVZONSA-N 1 2 404.467 0.818 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)[NH+]1CCOCC1 ZINC000041309289 1080019638 /nfs/dbraw/zinc/01/96/38/1080019638.db2.gz DXWNAFCCBJDKEA-CZUORRHYSA-N 1 2 404.467 0.818 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)[NH+]1CCOCC1 ZINC000041309293 1080019788 /nfs/dbraw/zinc/01/97/88/1080019788.db2.gz DXWNAFCCBJDKEA-XJKSGUPXSA-N 1 2 404.467 0.818 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)[NH+]1CCOCC1 ZINC000041309297 1080019737 /nfs/dbraw/zinc/01/97/37/1080019737.db2.gz KIPXKRKAQCOGJT-GOSISDBHSA-N 1 2 402.495 0.990 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000041313547 1079747380 /nfs/dbraw/zinc/74/73/80/1079747380.db2.gz FHNRIYRLQFCMKQ-HNNXBMFYSA-N 1 2 416.478 0.714 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000041313551 1079746843 /nfs/dbraw/zinc/74/68/43/1079746843.db2.gz FHNRIYRLQFCMKQ-OAHLLOKOSA-N 1 2 416.478 0.714 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041383312 1079747877 /nfs/dbraw/zinc/74/78/77/1079747877.db2.gz QSRLIWPKPSPSIA-MRXNPFEDSA-N 1 2 408.590 0.165 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041383314 1079748060 /nfs/dbraw/zinc/74/80/60/1079748060.db2.gz QSRLIWPKPSPSIA-INIZCTEOSA-N 1 2 408.590 0.165 20 0 HCADLO CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000041403573 1079748526 /nfs/dbraw/zinc/74/85/26/1079748526.db2.gz RTBFJSIHGJZBEX-UHFFFAOYSA-N 1 2 405.480 0.490 20 0 HCADLO O=C(Cn1cc(Br)ccc1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041408155 1079748569 /nfs/dbraw/zinc/74/85/69/1079748569.db2.gz YAKXSMLAJPYSER-INIZCTEOSA-N 1 2 416.341 0.935 20 0 HCADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000041419497 1079748438 /nfs/dbraw/zinc/74/84/38/1079748438.db2.gz QPIQDPRHIOZIIA-HXUWFJFHSA-N 1 2 418.519 0.676 20 0 HCADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000041419499 1079748279 /nfs/dbraw/zinc/74/82/79/1079748279.db2.gz QPIQDPRHIOZIIA-FQEVSTJZSA-N 1 2 418.519 0.676 20 0 HCADLO O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041419805 1079749068 /nfs/dbraw/zinc/74/90/68/1079749068.db2.gz QAQDBQSVAQXADL-HXUWFJFHSA-N 1 2 403.504 0.997 20 0 HCADLO O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041419807 1079748921 /nfs/dbraw/zinc/74/89/21/1079748921.db2.gz QAQDBQSVAQXADL-FQEVSTJZSA-N 1 2 403.504 0.997 20 0 HCADLO NS(=O)(=O)c1cccc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000041488992 1079749259 /nfs/dbraw/zinc/74/92/59/1079749259.db2.gz WWHDMWMJTSFYAD-QGZVFWFLSA-N 1 2 414.553 0.341 20 0 HCADLO NS(=O)(=O)c1cccc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000041488993 1079748886 /nfs/dbraw/zinc/74/88/86/1079748886.db2.gz WWHDMWMJTSFYAD-KRWDZBQOSA-N 1 2 414.553 0.341 20 0 HCADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000041625627 1077915294 /nfs/dbraw/zinc/91/52/94/1077915294.db2.gz QFOOPYQDGBJIBO-LBPRGKRZSA-N 1 2 418.466 0.281 20 0 HCADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000041625627 1077915283 /nfs/dbraw/zinc/91/52/83/1077915283.db2.gz QFOOPYQDGBJIBO-LBPRGKRZSA-N 1 2 418.466 0.281 20 0 HCADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000041625629 1077915672 /nfs/dbraw/zinc/91/56/72/1077915672.db2.gz QFOOPYQDGBJIBO-GFCCVEGCSA-N 1 2 418.466 0.281 20 0 HCADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000041625629 1077915665 /nfs/dbraw/zinc/91/56/65/1077915665.db2.gz QFOOPYQDGBJIBO-GFCCVEGCSA-N 1 2 418.466 0.281 20 0 HCADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000041625834 1079752394 /nfs/dbraw/zinc/75/23/94/1079752394.db2.gz WJJRMNCQUZBIQO-LBPRGKRZSA-N 1 2 412.468 0.325 20 0 HCADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000041625834 1079752377 /nfs/dbraw/zinc/75/23/77/1079752377.db2.gz WJJRMNCQUZBIQO-LBPRGKRZSA-N 1 2 412.468 0.325 20 0 HCADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000041625836 1079752118 /nfs/dbraw/zinc/75/21/18/1079752118.db2.gz WJJRMNCQUZBIQO-GFCCVEGCSA-N 1 2 412.468 0.325 20 0 HCADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000041625836 1079752097 /nfs/dbraw/zinc/75/20/97/1079752097.db2.gz WJJRMNCQUZBIQO-GFCCVEGCSA-N 1 2 412.468 0.325 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)CN3CCOCC3)cc2)CC1 ZINC000041739738 1079756053 /nfs/dbraw/zinc/75/60/53/1079756053.db2.gz LZYPWJZSFZDUBU-SFHVURJKSA-N 1 2 417.554 0.600 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)CN3CCOCC3)cc2)CC1 ZINC000041739739 1079755938 /nfs/dbraw/zinc/75/59/38/1079755938.db2.gz LZYPWJZSFZDUBU-GOSISDBHSA-N 1 2 417.554 0.600 20 0 HCADLO CNC(=O)c1cccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000041824169 1079757475 /nfs/dbraw/zinc/75/74/75/1079757475.db2.gz FULWSVDXFZYJAA-UHFFFAOYSA-N 1 2 409.490 0.923 20 0 HCADLO NC(=O)c1cccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000041824237 1079757366 /nfs/dbraw/zinc/75/73/66/1079757366.db2.gz HCAIOXVYRJACNA-UHFFFAOYSA-N 1 2 413.453 0.802 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1 ZINC000041824960 1079757553 /nfs/dbraw/zinc/75/75/53/1079757553.db2.gz SRLOHWBNQBOYQB-UHFFFAOYSA-N 1 2 417.491 0.288 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000041883019 1079759632 /nfs/dbraw/zinc/75/96/32/1079759632.db2.gz SWRJDHDURNVMEE-UHFFFAOYSA-N 1 2 417.491 0.713 20 0 HCADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000041991723 1079760053 /nfs/dbraw/zinc/76/00/53/1079760053.db2.gz LBRHPMQSPKSAAZ-ZDUSSCGKSA-N 1 2 401.423 0.319 20 0 HCADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000041991726 1079760363 /nfs/dbraw/zinc/76/03/63/1079760363.db2.gz LBRHPMQSPKSAAZ-CYBMUJFWSA-N 1 2 401.423 0.319 20 0 HCADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000042036656 1079760692 /nfs/dbraw/zinc/76/06/92/1079760692.db2.gz WKQWKCAVXIVFGC-UHFFFAOYSA-N 1 2 418.251 0.860 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccccc2SCC(N)=O)CC1 ZINC000042061279 1079762433 /nfs/dbraw/zinc/76/24/33/1079762433.db2.gz XUXXVMJCFGEWCZ-UHFFFAOYSA-N 1 2 411.491 0.903 20 0 HCADLO COC(=O)c1cc(S(N)(=O)=O)ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000042108636 1079763089 /nfs/dbraw/zinc/76/30/89/1079763089.db2.gz CQESBKBZQCYFKL-QGZVFWFLSA-N 1 2 415.537 0.740 20 0 HCADLO COC(=O)c1cc(S(N)(=O)=O)ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000042108639 1079764048 /nfs/dbraw/zinc/76/40/48/1079764048.db2.gz CQESBKBZQCYFKL-KRWDZBQOSA-N 1 2 415.537 0.740 20 0 HCADLO COC(=O)c1cccc(OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000042188581 1079765132 /nfs/dbraw/zinc/76/51/32/1079765132.db2.gz BEIYABLINJQSGZ-UHFFFAOYSA-N 1 2 410.434 0.878 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000042309947 1079765677 /nfs/dbraw/zinc/76/56/77/1079765677.db2.gz MLFSSSGWYMQUME-MRXNPFEDSA-N 1 2 400.526 0.663 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000042309948 1079766028 /nfs/dbraw/zinc/76/60/28/1079766028.db2.gz MLFSSSGWYMQUME-INIZCTEOSA-N 1 2 400.526 0.663 20 0 HCADLO NS(=O)(=O)c1ccc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000042344308 1079766640 /nfs/dbraw/zinc/76/66/40/1079766640.db2.gz FLKCOKLRLQXXQZ-QGZVFWFLSA-N 1 2 414.553 0.341 20 0 HCADLO NS(=O)(=O)c1ccc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000042344310 1079766447 /nfs/dbraw/zinc/76/64/47/1079766447.db2.gz FLKCOKLRLQXXQZ-KRWDZBQOSA-N 1 2 414.553 0.341 20 0 HCADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000042344536 1079766621 /nfs/dbraw/zinc/76/66/21/1079766621.db2.gz BBRHTDFRSSTVHG-LJQANCHMSA-N 1 2 408.524 0.955 20 0 HCADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000042344538 1079766755 /nfs/dbraw/zinc/76/67/55/1079766755.db2.gz BBRHTDFRSSTVHG-IBGZPJMESA-N 1 2 408.524 0.955 20 0 HCADLO O=C(C[N@H+]1CCNC(=O)CC1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000042570247 1079769930 /nfs/dbraw/zinc/76/99/30/1079769930.db2.gz SCRHDPJMRHVOCU-UHFFFAOYSA-N 1 2 408.524 0.299 20 0 HCADLO O=C(C[N@@H+]1CCNC(=O)CC1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000042570247 1079769909 /nfs/dbraw/zinc/76/99/09/1079769909.db2.gz SCRHDPJMRHVOCU-UHFFFAOYSA-N 1 2 408.524 0.299 20 0 HCADLO CCCCn1c2nc(C[NH+]3CCC(C(=O)NCCC)CC3)n(C)c2c(=O)[nH]c1=O ZINC000042686508 1079772791 /nfs/dbraw/zinc/77/27/91/1079772791.db2.gz WVLXPWWCZJNUPN-UHFFFAOYSA-N 1 2 404.515 0.962 20 0 HCADLO Cn1ccnc1COc1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000042743676 1079774089 /nfs/dbraw/zinc/77/40/89/1079774089.db2.gz NITNRRVBEZECIY-UHFFFAOYSA-N 1 2 413.522 0.976 20 0 HCADLO C[C@@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000042995298 1079780611 /nfs/dbraw/zinc/78/06/11/1079780611.db2.gz OGVTXTBZWUCBAX-HNNXBMFYSA-N 1 2 405.524 0.613 20 0 HCADLO C[C@H](CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000042995301 1079780710 /nfs/dbraw/zinc/78/07/10/1079780710.db2.gz OGVTXTBZWUCBAX-OAHLLOKOSA-N 1 2 405.524 0.613 20 0 HCADLO C[C@@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000043040620 1079780636 /nfs/dbraw/zinc/78/06/36/1079780636.db2.gz VNFOVVDPAZEWLX-ZACQAIPSSA-N 1 2 401.577 0.631 20 0 HCADLO C[C@@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000043040627 1079780674 /nfs/dbraw/zinc/78/06/74/1079780674.db2.gz VNFOVVDPAZEWLX-BRWVUGGUSA-N 1 2 401.577 0.631 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn2cccnc12 ZINC000043067274 1079782299 /nfs/dbraw/zinc/78/22/99/1079782299.db2.gz WUASUGWUEIRSMO-UHFFFAOYSA-N 1 2 415.479 0.006 20 0 HCADLO CS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000043141458 1079783643 /nfs/dbraw/zinc/78/36/43/1079783643.db2.gz BGUAJGMTUUFSLQ-GOSISDBHSA-N 1 2 410.540 0.611 20 0 HCADLO CS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000043141458 1079783625 /nfs/dbraw/zinc/78/36/25/1079783625.db2.gz BGUAJGMTUUFSLQ-GOSISDBHSA-N 1 2 410.540 0.611 20 0 HCADLO CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000043141460 1079783549 /nfs/dbraw/zinc/78/35/49/1079783549.db2.gz BGUAJGMTUUFSLQ-SFHVURJKSA-N 1 2 410.540 0.611 20 0 HCADLO CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000043141460 1079783536 /nfs/dbraw/zinc/78/35/36/1079783536.db2.gz BGUAJGMTUUFSLQ-SFHVURJKSA-N 1 2 410.540 0.611 20 0 HCADLO CC(C)(CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[NH+]1CCOCC1 ZINC000043160651 1079784508 /nfs/dbraw/zinc/78/45/08/1079784508.db2.gz LESUIOBWRFIUOJ-UHFFFAOYSA-N 1 2 417.510 0.169 20 0 HCADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000043272257 1079785523 /nfs/dbraw/zinc/78/55/23/1079785523.db2.gz FHOKZFLPGBMEKW-UHFFFAOYSA-N 1 2 416.570 0.789 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000043305533 1079785347 /nfs/dbraw/zinc/78/53/47/1079785347.db2.gz JBRFFRWILPPCJI-JCVNQNCUSA-N 1 2 411.506 0.568 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000043305534 1079785269 /nfs/dbraw/zinc/78/52/69/1079785269.db2.gz JBRFFRWILPPCJI-OJXHRBAXSA-N 1 2 411.506 0.568 20 0 HCADLO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000043306164 1079785128 /nfs/dbraw/zinc/78/51/28/1079785128.db2.gz RTPRHGYAPVCBTB-KRWDZBQOSA-N 1 2 409.556 0.610 20 0 HCADLO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000043306165 1079785446 /nfs/dbraw/zinc/78/54/46/1079785446.db2.gz RTPRHGYAPVCBTB-QGZVFWFLSA-N 1 2 409.556 0.610 20 0 HCADLO O=C(NCCn1cc[nH+]c1)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000043310446 1079785996 /nfs/dbraw/zinc/78/59/96/1079785996.db2.gz MGPWPZQZAMHHNU-INIZCTEOSA-N 1 2 407.496 0.840 20 0 HCADLO O=C(NCCn1cc[nH+]c1)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000043310447 1079786103 /nfs/dbraw/zinc/78/61/03/1079786103.db2.gz MGPWPZQZAMHHNU-MRXNPFEDSA-N 1 2 407.496 0.840 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000043310587 1079786667 /nfs/dbraw/zinc/78/66/67/1079786667.db2.gz SMPXGYMWKBBSSA-UHFFFAOYSA-N 1 2 405.480 0.802 20 0 HCADLO CS(=O)(=O)N1CCCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000043614095 1079787965 /nfs/dbraw/zinc/78/79/65/1079787965.db2.gz YKDOXTUBYCOXJX-UHFFFAOYSA-N 1 2 400.570 0.360 20 0 HCADLO COCCNS(=O)(=O)c1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000043783339 1079790200 /nfs/dbraw/zinc/79/02/00/1079790200.db2.gz BUJMNSKIHYJBHC-UHFFFAOYSA-N 1 2 407.496 0.918 20 0 HCADLO O=C(NCCCO)C1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000043862922 1079791301 /nfs/dbraw/zinc/79/13/01/1079791301.db2.gz MAULKTAUPMMGSR-UHFFFAOYSA-N 1 2 418.538 0.939 20 0 HCADLO CC(C)(CNC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)[NH+]1CCOCC1 ZINC000044128320 1079793809 /nfs/dbraw/zinc/79/38/09/1079793809.db2.gz HDKOAIOMUJERAR-UHFFFAOYSA-N 1 2 404.389 0.193 20 0 HCADLO C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1=O ZINC000044148203 1080024456 /nfs/dbraw/zinc/02/44/56/1080024456.db2.gz RXHQKUZKPLEBEA-HNNXBMFYSA-N 1 2 416.478 0.765 20 0 HCADLO C[C@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1=O ZINC000044148205 1080024661 /nfs/dbraw/zinc/02/46/61/1080024661.db2.gz RXHQKUZKPLEBEA-OAHLLOKOSA-N 1 2 416.478 0.765 20 0 HCADLO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)cnc21 ZINC000044231065 1079794389 /nfs/dbraw/zinc/79/43/89/1079794389.db2.gz SOJCUWNXTYRYNM-UHFFFAOYSA-N 1 2 404.430 0.839 20 0 HCADLO O=C(C(=O)N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1)N1CCOCC1 ZINC000044974052 1079798948 /nfs/dbraw/zinc/79/89/48/1079798948.db2.gz WNZJGGQWKAHXAQ-UHFFFAOYSA-N 1 2 411.462 0.075 20 0 HCADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000045075815 1079800731 /nfs/dbraw/zinc/80/07/31/1079800731.db2.gz GTOHKMLFYKVDNE-UHFFFAOYSA-N 1 2 405.480 0.207 20 0 HCADLO C[C@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1nnc2ccccn21 ZINC000045234506 1079801853 /nfs/dbraw/zinc/80/18/53/1079801853.db2.gz HVHWBBAAQNAQIA-ZDUSSCGKSA-N 1 2 406.454 0.999 20 0 HCADLO C[C@@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1nnc2ccccn21 ZINC000045234507 1079801889 /nfs/dbraw/zinc/80/18/89/1079801889.db2.gz HVHWBBAAQNAQIA-CYBMUJFWSA-N 1 2 406.454 0.999 20 0 HCADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000045605953 1079805547 /nfs/dbraw/zinc/80/55/47/1079805547.db2.gz BWKCCDOJEHZWAJ-UHFFFAOYSA-N 1 2 412.494 0.810 20 0 HCADLO Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000045678010 1079806582 /nfs/dbraw/zinc/80/65/82/1079806582.db2.gz XRVNZKXKRMXFFJ-UHFFFAOYSA-N 1 2 401.558 0.376 20 0 HCADLO COC(=O)c1ccc2c(c1)nc(CN1CC[NH+]([C@@H](C)C(=O)NC3CC3)CC1)[nH]c2=O ZINC000045681988 1079807049 /nfs/dbraw/zinc/80/70/49/1079807049.db2.gz QSPSEPSRLVWXKG-ZDUSSCGKSA-N 1 2 413.478 0.494 20 0 HCADLO COC(=O)c1ccc2c(c1)nc(CN1CC[NH+]([C@H](C)C(=O)NC3CC3)CC1)[nH]c2=O ZINC000045681990 1079807101 /nfs/dbraw/zinc/80/71/01/1079807101.db2.gz QSPSEPSRLVWXKG-CYBMUJFWSA-N 1 2 413.478 0.494 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000045698604 1079807059 /nfs/dbraw/zinc/80/70/59/1079807059.db2.gz BTTLICXSAYNFLS-UHFFFAOYSA-N 1 2 410.438 0.582 20 0 HCADLO CC(C)C(=O)N1CCC(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000045734619 1079807374 /nfs/dbraw/zinc/80/73/74/1079807374.db2.gz MUEMJQKZHOCUSB-UHFFFAOYSA-N 1 2 414.514 0.842 20 0 HCADLO CCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(=O)[nH]c1=O ZINC000045804191 1079808573 /nfs/dbraw/zinc/80/85/73/1079808573.db2.gz QDFBMYVDUBAEIE-AWEZNQCLSA-N 1 2 419.526 0.682 20 0 HCADLO CCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(=O)[nH]c1=O ZINC000045804194 1079808704 /nfs/dbraw/zinc/80/87/04/1079808704.db2.gz QDFBMYVDUBAEIE-CQSZACIVSA-N 1 2 419.526 0.682 20 0 HCADLO CNC(=O)c1ccc(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000045840313 1079809360 /nfs/dbraw/zinc/80/93/60/1079809360.db2.gz VDVNWXPLQNSDRB-UHFFFAOYSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000045844086 1079809770 /nfs/dbraw/zinc/80/97/70/1079809770.db2.gz JKULWPGVAVISDH-UHFFFAOYSA-N 1 2 410.478 0.955 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000045984185 1079813229 /nfs/dbraw/zinc/81/32/29/1079813229.db2.gz OBFGAOFSLAROIN-AWEZNQCLSA-N 1 2 413.544 0.845 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000045984188 1079813236 /nfs/dbraw/zinc/81/32/36/1079813236.db2.gz OBFGAOFSLAROIN-CQSZACIVSA-N 1 2 413.544 0.845 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000045987782 1079813200 /nfs/dbraw/zinc/81/32/00/1079813200.db2.gz RQWIMPOLVOFLJP-INIZCTEOSA-N 1 2 405.499 0.800 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000045987783 1079813521 /nfs/dbraw/zinc/81/35/21/1079813521.db2.gz RQWIMPOLVOFLJP-MRXNPFEDSA-N 1 2 405.499 0.800 20 0 HCADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000046018904 1079814090 /nfs/dbraw/zinc/81/40/90/1079814090.db2.gz IGXFRPLMUFELCN-UHFFFAOYSA-N 1 2 410.478 0.564 20 0 HCADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000046019131 1079814052 /nfs/dbraw/zinc/81/40/52/1079814052.db2.gz OUDREXNMTMKUJZ-UHFFFAOYSA-N 1 2 412.494 0.810 20 0 HCADLO CC(C)(CNC(=O)CN1CCN(C(=O)Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000046068496 1079815314 /nfs/dbraw/zinc/81/53/14/1079815314.db2.gz QUYAJOLEVJJMLT-UHFFFAOYSA-N 1 2 402.539 0.600 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC(=O)N2CCCCC2)CC1 ZINC000046231928 1079818333 /nfs/dbraw/zinc/81/83/33/1079818333.db2.gz IUCSAOUWUWIYDE-UHFFFAOYSA-N 1 2 400.487 0.598 20 0 HCADLO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1)[NH+]1CCOCC1 ZINC000046258742 1079818886 /nfs/dbraw/zinc/81/88/86/1079818886.db2.gz KSRCJYPSSOBNFU-KRWDZBQOSA-N 1 2 417.576 0.155 20 0 HCADLO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1)[NH+]1CCOCC1 ZINC000046258745 1079818893 /nfs/dbraw/zinc/81/88/93/1079818893.db2.gz KSRCJYPSSOBNFU-QGZVFWFLSA-N 1 2 417.576 0.155 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000046406625 1079821731 /nfs/dbraw/zinc/82/17/31/1079821731.db2.gz ZLGKOJUTOGUJMT-UHFFFAOYSA-N 1 2 400.479 0.620 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000046406625 1079821730 /nfs/dbraw/zinc/82/17/30/1079821730.db2.gz ZLGKOJUTOGUJMT-UHFFFAOYSA-N 1 2 400.479 0.620 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000046406626 1079821771 /nfs/dbraw/zinc/82/17/71/1079821771.db2.gz HVIDTQFNKHOWMF-UHFFFAOYSA-N 1 2 408.524 0.411 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000046406626 1079821770 /nfs/dbraw/zinc/82/17/70/1079821770.db2.gz HVIDTQFNKHOWMF-UHFFFAOYSA-N 1 2 408.524 0.411 20 0 HCADLO O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2[nH]c1=O ZINC000046407472 1079821814 /nfs/dbraw/zinc/82/18/14/1079821814.db2.gz ADMUACVHXBKWKI-UHFFFAOYSA-N 1 2 411.443 0.940 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1 ZINC000046408863 1079821714 /nfs/dbraw/zinc/82/17/14/1079821714.db2.gz GVGVLYYUUWICDC-UHFFFAOYSA-N 1 2 403.483 0.887 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1 ZINC000046408863 1079821712 /nfs/dbraw/zinc/82/17/12/1079821712.db2.gz GVGVLYYUUWICDC-UHFFFAOYSA-N 1 2 403.483 0.887 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000046479682 1079822935 /nfs/dbraw/zinc/82/29/35/1079822935.db2.gz IBLZSOFTCNKFRP-INIZCTEOSA-N 1 2 410.540 0.860 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000046479683 1079822904 /nfs/dbraw/zinc/82/29/04/1079822904.db2.gz IBLZSOFTCNKFRP-MRXNPFEDSA-N 1 2 410.540 0.860 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000046479703 1079822889 /nfs/dbraw/zinc/82/28/89/1079822889.db2.gz IONXPAJFBVQDIA-AWEZNQCLSA-N 1 2 416.569 0.921 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000046479704 1079822895 /nfs/dbraw/zinc/82/28/95/1079822895.db2.gz IONXPAJFBVQDIA-CQSZACIVSA-N 1 2 416.569 0.921 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000046479879 1079823003 /nfs/dbraw/zinc/82/30/03/1079823003.db2.gz NVXFPOFICSBTDO-KRWDZBQOSA-N 1 2 417.576 0.155 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000046479880 1079822948 /nfs/dbraw/zinc/82/29/48/1079822948.db2.gz NVXFPOFICSBTDO-QGZVFWFLSA-N 1 2 417.576 0.155 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000046479947 1079822909 /nfs/dbraw/zinc/82/29/09/1079822909.db2.gz XUKYEWJQKADKMJ-SFHVURJKSA-N 1 2 403.527 0.351 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000046479948 1079822941 /nfs/dbraw/zinc/82/29/41/1079822941.db2.gz XUKYEWJQKADKMJ-GOSISDBHSA-N 1 2 403.527 0.351 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC000046479959 1079822927 /nfs/dbraw/zinc/82/29/27/1079822927.db2.gz RZDVPOOCGFGGCI-KRWDZBQOSA-N 1 2 410.540 0.732 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC000046479960 1079822977 /nfs/dbraw/zinc/82/29/77/1079822977.db2.gz RZDVPOOCGFGGCI-QGZVFWFLSA-N 1 2 410.540 0.732 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000046480135 1079822916 /nfs/dbraw/zinc/82/29/16/1079822916.db2.gz IFAZWQBBQUQIAC-INIZCTEOSA-N 1 2 410.540 0.991 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000046480136 1079822882 /nfs/dbraw/zinc/82/28/82/1079822882.db2.gz IFAZWQBBQUQIAC-MRXNPFEDSA-N 1 2 410.540 0.991 20 0 HCADLO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000046480139 1079822972 /nfs/dbraw/zinc/82/29/72/1079822972.db2.gz KEDGZOIYRJNMMO-HNNXBMFYSA-N 1 2 414.528 0.131 20 0 HCADLO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000046480140 1079822963 /nfs/dbraw/zinc/82/29/63/1079822963.db2.gz KEDGZOIYRJNMMO-OAHLLOKOSA-N 1 2 414.528 0.131 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000046480327 1079822956 /nfs/dbraw/zinc/82/29/56/1079822956.db2.gz IIEGMIZIFGYULW-ZDUSSCGKSA-N 1 2 415.516 0.028 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000046480328 1079822923 /nfs/dbraw/zinc/82/29/23/1079822923.db2.gz IIEGMIZIFGYULW-CYBMUJFWSA-N 1 2 415.516 0.028 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)nc1 ZINC000046480736 1079823437 /nfs/dbraw/zinc/82/34/37/1079823437.db2.gz OEXHWAIQINOZKL-INIZCTEOSA-N 1 2 405.499 0.811 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)nc1 ZINC000046480737 1079823623 /nfs/dbraw/zinc/82/36/23/1079823623.db2.gz OEXHWAIQINOZKL-MRXNPFEDSA-N 1 2 405.499 0.811 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000046480877 1079823676 /nfs/dbraw/zinc/82/36/76/1079823676.db2.gz FDLQHKDLLYAXBK-SFHVURJKSA-N 1 2 415.538 0.624 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000046480878 1079823553 /nfs/dbraw/zinc/82/35/53/1079823553.db2.gz FDLQHKDLLYAXBK-GOSISDBHSA-N 1 2 415.538 0.624 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000046481072 1079823406 /nfs/dbraw/zinc/82/34/06/1079823406.db2.gz USEMELXMSZLCHV-OTWHNJEPSA-N 1 2 409.575 0.539 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000046481074 1079823585 /nfs/dbraw/zinc/82/35/85/1079823585.db2.gz USEMELXMSZLCHV-QRVBRYPASA-N 1 2 409.575 0.539 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000046484284 1079823661 /nfs/dbraw/zinc/82/36/61/1079823661.db2.gz XPYLYMAAPQCVOU-HNNXBMFYSA-N 1 2 414.503 0.562 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000046484287 1079823700 /nfs/dbraw/zinc/82/37/00/1079823700.db2.gz XPYLYMAAPQCVOU-OAHLLOKOSA-N 1 2 414.503 0.562 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000046485628 1079823534 /nfs/dbraw/zinc/82/35/34/1079823534.db2.gz DLZDGXDOYJZABY-INIZCTEOSA-N 1 2 407.490 0.812 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000046485631 1079823570 /nfs/dbraw/zinc/82/35/70/1079823570.db2.gz DLZDGXDOYJZABY-MRXNPFEDSA-N 1 2 407.490 0.812 20 0 HCADLO O=C(CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)Nc1ccccc1F ZINC000046512015 1079824278 /nfs/dbraw/zinc/82/42/78/1079824278.db2.gz KIGLICZACJAYOX-UHFFFAOYSA-N 1 2 400.476 0.349 20 0 HCADLO O=c1[nH]c2ccccc2c(=O)n1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000046564970 1079825234 /nfs/dbraw/zinc/82/52/34/1079825234.db2.gz GIJPWFIOIVNJKK-UHFFFAOYSA-N 1 2 415.475 0.237 20 0 HCADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000046617221 1079826232 /nfs/dbraw/zinc/82/62/32/1079826232.db2.gz UGWFYVSLCHVHPK-UHFFFAOYSA-N 1 2 419.507 0.829 20 0 HCADLO Cn1c2ncn(CCC(=O)NC3CCN(c4cccc[nH+]4)CC3)c2c(=O)n(C)c1=O ZINC000046619239 1079826785 /nfs/dbraw/zinc/82/67/85/1079826785.db2.gz GUGPIYIBCBLRIA-UHFFFAOYSA-N 1 2 411.466 0.004 20 0 HCADLO CCC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@@H]1COc2ccccc2O1 ZINC000046704006 1079827757 /nfs/dbraw/zinc/82/77/57/1079827757.db2.gz ALBCTTGJHADXOD-CYBMUJFWSA-N 1 2 402.451 0.401 20 0 HCADLO CCC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@@H]1COc2ccccc2O1 ZINC000046704006 1079827754 /nfs/dbraw/zinc/82/77/54/1079827754.db2.gz ALBCTTGJHADXOD-CYBMUJFWSA-N 1 2 402.451 0.401 20 0 HCADLO CCC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@H]1COc2ccccc2O1 ZINC000046704008 1079827849 /nfs/dbraw/zinc/82/78/49/1079827849.db2.gz ALBCTTGJHADXOD-ZDUSSCGKSA-N 1 2 402.451 0.401 20 0 HCADLO CCC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@H]1COc2ccccc2O1 ZINC000046704008 1079827846 /nfs/dbraw/zinc/82/78/46/1079827846.db2.gz ALBCTTGJHADXOD-ZDUSSCGKSA-N 1 2 402.451 0.401 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 ZINC000046724635 1079827638 /nfs/dbraw/zinc/82/76/38/1079827638.db2.gz XVTVQUVXKNNLGG-QZTJIDSGSA-N 1 2 412.490 0.605 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CNC(=O)COc3ccccc3)CC2)cc1 ZINC000046724756 1079827622 /nfs/dbraw/zinc/82/76/22/1079827622.db2.gz MBWUOQNGBGWNHH-UHFFFAOYSA-N 1 2 410.474 0.625 20 0 HCADLO COc1ccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000046724781 1079827802 /nfs/dbraw/zinc/82/78/02/1079827802.db2.gz WFRMMSRPFGMJMS-UHFFFAOYSA-N 1 2 410.474 0.868 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1 ZINC000046724905 1079828410 /nfs/dbraw/zinc/82/84/10/1079828410.db2.gz MPIHLDZEZXGJDH-UHFFFAOYSA-N 1 2 405.458 0.840 20 0 HCADLO Cn1nc(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c2ccccc2c1=O ZINC000046724947 1079828422 /nfs/dbraw/zinc/82/84/22/1079828422.db2.gz YQUHILPJXMJUTM-UHFFFAOYSA-N 1 2 419.485 0.919 20 0 HCADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000046724951 1079828349 /nfs/dbraw/zinc/82/83/49/1079828349.db2.gz GGOAYZAWTDMDKS-UHFFFAOYSA-N 1 2 416.503 0.652 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3nnc4ccccc4c3=O)CC2)cc1 ZINC000046725042 1079828378 /nfs/dbraw/zinc/82/83/78/1079828378.db2.gz PDAGYFCICNNYBE-UHFFFAOYSA-N 1 2 406.446 0.235 20 0 HCADLO CS(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000046725143 1079828418 /nfs/dbraw/zinc/82/84/18/1079828418.db2.gz DFPMAEKADXHZRR-UHFFFAOYSA-N 1 2 408.524 0.101 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 ZINC000046725290 1079828369 /nfs/dbraw/zinc/82/83/69/1079828369.db2.gz ZJIFBJQLQWKQJB-UHFFFAOYSA-N 1 2 413.478 0.294 20 0 HCADLO Cn1c2ccccc2n(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1=O ZINC000046725302 1079828428 /nfs/dbraw/zinc/82/84/28/1079828428.db2.gz NJLNDMSRTROVGQ-UHFFFAOYSA-N 1 2 407.474 0.783 20 0 HCADLO CNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000046725360 1079828385 /nfs/dbraw/zinc/82/83/85/1079828385.db2.gz OKTLWIPHZYQOMS-UHFFFAOYSA-N 1 2 416.503 0.652 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000046725364 1079828287 /nfs/dbraw/zinc/82/82/87/1079828287.db2.gz IABLUIIGKOHEPI-UHFFFAOYSA-N 1 2 402.476 0.391 20 0 HCADLO COc1ccccc1C(=O)NCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000046725439 1079828329 /nfs/dbraw/zinc/82/83/29/1079828329.db2.gz QZJGPBJXNIVSHG-UHFFFAOYSA-N 1 2 410.474 0.868 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1 ZINC000046725455 1079828431 /nfs/dbraw/zinc/82/84/31/1079828431.db2.gz UWYQKHYWVVJAIQ-UHFFFAOYSA-N 1 2 405.458 0.840 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3cnc4sccc4c3=O)CC2)cc1 ZINC000046725607 1079828414 /nfs/dbraw/zinc/82/84/14/1079828414.db2.gz RULOARRWKSDQRV-UHFFFAOYSA-N 1 2 411.487 0.901 20 0 HCADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1=O ZINC000046725628 1079828391 /nfs/dbraw/zinc/82/83/91/1079828391.db2.gz JZKBTUPAOFTBHS-NRFANRHFSA-N 1 2 413.478 0.150 20 0 HCADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1=O ZINC000046725629 1079828339 /nfs/dbraw/zinc/82/83/39/1079828339.db2.gz JZKBTUPAOFTBHS-OAQYLSRUSA-N 1 2 413.478 0.150 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3ncc4ccccc4c3=O)CC2)cc1 ZINC000046725653 1079828300 /nfs/dbraw/zinc/82/83/00/1079828300.db2.gz LZYTVMHOOUFZDW-UHFFFAOYSA-N 1 2 405.458 0.840 20 0 HCADLO CCC1(CC)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1=O ZINC000046725671 1079828359 /nfs/dbraw/zinc/82/83/59/1079828359.db2.gz BQHGQAWGVSCMHL-UHFFFAOYSA-N 1 2 415.494 0.540 20 0 HCADLO COc1ccc(C[N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC(F)F ZINC000046775782 1079829503 /nfs/dbraw/zinc/82/95/03/1079829503.db2.gz NZVCJUFLIFJVGF-UHFFFAOYSA-N 1 2 412.393 0.591 20 0 HCADLO COc1ccc(C[N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC(F)F ZINC000046775782 1079829500 /nfs/dbraw/zinc/82/95/00/1079829500.db2.gz NZVCJUFLIFJVGF-UHFFFAOYSA-N 1 2 412.393 0.591 20 0 HCADLO Cc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000046867677 1079832117 /nfs/dbraw/zinc/83/21/17/1079832117.db2.gz VZHRFAWBDWGUKQ-UHFFFAOYSA-N 1 2 418.523 0.736 20 0 HCADLO Cc1nnc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000046867695 1079832188 /nfs/dbraw/zinc/83/21/88/1079832188.db2.gz WVNJWPNNJXDGDE-UHFFFAOYSA-N 1 2 411.513 0.515 20 0 HCADLO COCCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000046868023 1079832237 /nfs/dbraw/zinc/83/22/37/1079832237.db2.gz XPDNUHOFEGQQBQ-UHFFFAOYSA-N 1 2 411.528 0.354 20 0 HCADLO CN(Cc1ccncc1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000046868041 1079832140 /nfs/dbraw/zinc/83/21/40/1079832140.db2.gz VWRGDYWRQRXPID-UHFFFAOYSA-N 1 2 418.523 0.770 20 0 HCADLO CC[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000046868045 1079832077 /nfs/dbraw/zinc/83/20/77/1079832077.db2.gz OIBUHXRBQFNCBL-MRXNPFEDSA-N 1 2 411.528 0.354 20 0 HCADLO CC[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000046868047 1079832267 /nfs/dbraw/zinc/83/22/67/1079832267.db2.gz OIBUHXRBQFNCBL-INIZCTEOSA-N 1 2 411.528 0.354 20 0 HCADLO COC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000046868049 1079832151 /nfs/dbraw/zinc/83/21/51/1079832151.db2.gz LDEJVNCCKRESGM-UHFFFAOYSA-N 1 2 411.528 0.354 20 0 HCADLO CN(Cc1ccco1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000046868082 1079832229 /nfs/dbraw/zinc/83/22/29/1079832229.db2.gz PCCCZDRFNHJQQM-UHFFFAOYSA-N 1 2 407.496 0.968 20 0 HCADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000046868138 1079832104 /nfs/dbraw/zinc/83/21/04/1079832104.db2.gz JRXSFTFMPRASQQ-IYBDPMFKSA-N 1 2 411.528 0.352 20 0 HCADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000046868140 1079832261 /nfs/dbraw/zinc/83/22/61/1079832261.db2.gz JRXSFTFMPRASQQ-HOTGVXAUSA-N 1 2 411.528 0.352 20 0 HCADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000046868142 1079832061 /nfs/dbraw/zinc/83/20/61/1079832061.db2.gz JRXSFTFMPRASQQ-HZPDHXFCSA-N 1 2 411.528 0.352 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000046884163 1079832753 /nfs/dbraw/zinc/83/27/53/1079832753.db2.gz UDLWPBAXZJLSPK-ZDUSSCGKSA-N 1 2 414.528 0.529 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000046884165 1079832690 /nfs/dbraw/zinc/83/26/90/1079832690.db2.gz UDLWPBAXZJLSPK-CYBMUJFWSA-N 1 2 414.528 0.529 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000046884675 1079833222 /nfs/dbraw/zinc/83/32/22/1079833222.db2.gz CGGVELOVEGYLCL-AWEZNQCLSA-N 1 2 401.554 0.912 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000046884677 1079833394 /nfs/dbraw/zinc/83/33/94/1079833394.db2.gz CGGVELOVEGYLCL-CQSZACIVSA-N 1 2 401.554 0.912 20 0 HCADLO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046884734 1079833257 /nfs/dbraw/zinc/83/32/57/1079833257.db2.gz TUDJGFUOISRHBA-DOTOQJQBSA-N 1 2 415.581 0.924 20 0 HCADLO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046884736 1079833287 /nfs/dbraw/zinc/83/32/87/1079833287.db2.gz TUDJGFUOISRHBA-NVXWUHKLSA-N 1 2 415.581 0.924 20 0 HCADLO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046884738 1079833375 /nfs/dbraw/zinc/83/33/75/1079833375.db2.gz TUDJGFUOISRHBA-RDJZCZTQSA-N 1 2 415.581 0.924 20 0 HCADLO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046884740 1079833210 /nfs/dbraw/zinc/83/32/10/1079833210.db2.gz TUDJGFUOISRHBA-WBVHZDCISA-N 1 2 415.581 0.924 20 0 HCADLO COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2=O)cc1OC ZINC000046886091 1079833299 /nfs/dbraw/zinc/83/32/99/1079833299.db2.gz XXTWLARYPGLFMY-FUHWJXTLSA-N 1 2 419.522 0.932 20 0 HCADLO COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2=O)cc1OC ZINC000046886093 1079833271 /nfs/dbraw/zinc/83/32/71/1079833271.db2.gz XXTWLARYPGLFMY-SJLPKXTDSA-N 1 2 419.522 0.932 20 0 HCADLO COc1ccc(CCN2C[C@@H](C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2=O)cc1OC ZINC000046886095 1079833387 /nfs/dbraw/zinc/83/33/87/1079833387.db2.gz XXTWLARYPGLFMY-WMZOPIPTSA-N 1 2 419.522 0.932 20 0 HCADLO COc1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000046889637 1079833327 /nfs/dbraw/zinc/83/33/27/1079833327.db2.gz FPZYJHBDPDDZAA-INIZCTEOSA-N 1 2 413.540 0.933 20 0 HCADLO COc1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000046889639 1079833368 /nfs/dbraw/zinc/83/33/68/1079833368.db2.gz FPZYJHBDPDDZAA-MRXNPFEDSA-N 1 2 413.540 0.933 20 0 HCADLO CN(CC(=O)N1CC[NH+](CCOc2ccccc2)CC1)S(=O)(=O)c1cccnc1 ZINC000046911631 1079833868 /nfs/dbraw/zinc/83/38/68/1079833868.db2.gz LFRUINVHTAQMAG-UHFFFAOYSA-N 1 2 418.519 0.925 20 0 HCADLO CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)S(=O)(=O)c1cccnc1 ZINC000046912130 1079834325 /nfs/dbraw/zinc/83/43/25/1079834325.db2.gz RCTYZHUUMHERBA-UHFFFAOYSA-N 1 2 418.519 0.851 20 0 HCADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000046920298 1079834417 /nfs/dbraw/zinc/83/44/17/1079834417.db2.gz MTODFZGNYUMVNE-UHFFFAOYSA-N 1 2 410.478 0.564 20 0 HCADLO O=C(CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000046921384 1079834310 /nfs/dbraw/zinc/83/43/10/1079834310.db2.gz ZEDOXPRUKFDKHF-QGZVFWFLSA-N 1 2 419.507 0.424 20 0 HCADLO O=C(CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000046921386 1079834402 /nfs/dbraw/zinc/83/44/02/1079834402.db2.gz ZEDOXPRUKFDKHF-KRWDZBQOSA-N 1 2 419.507 0.424 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCNC(=O)c2cccs2)CC1 ZINC000046925228 1079835071 /nfs/dbraw/zinc/83/50/71/1079835071.db2.gz YRTFSUALBPDFDM-UHFFFAOYSA-N 1 2 414.495 0.686 20 0 HCADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000046943153 1079835411 /nfs/dbraw/zinc/83/54/11/1079835411.db2.gz TWJHLGHQFSIZPS-UHFFFAOYSA-N 1 2 400.483 0.183 20 0 HCADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000046943170 1079835516 /nfs/dbraw/zinc/83/55/16/1079835516.db2.gz AWZVZAXIBBWNOF-UHFFFAOYSA-N 1 2 414.510 0.527 20 0 HCADLO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000046943411 1079835504 /nfs/dbraw/zinc/83/55/04/1079835504.db2.gz AFIYYJCFVQDUDB-UHFFFAOYSA-N 1 2 416.526 0.236 20 0 HCADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000046943461 1079835445 /nfs/dbraw/zinc/83/54/45/1079835445.db2.gz DVLPTSQIFXXKKV-UHFFFAOYSA-N 1 2 402.499 0.429 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000046944075 1079835327 /nfs/dbraw/zinc/83/53/27/1079835327.db2.gz KFLVHUVHONUAIU-UHFFFAOYSA-N 1 2 404.496 0.995 20 0 HCADLO CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000046945416 1079835534 /nfs/dbraw/zinc/83/55/34/1079835534.db2.gz GIQAKEXJYBNLLH-UHFFFAOYSA-N 1 2 415.585 0.630 20 0 HCADLO CCN(CC)C(=O)CCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000046966833 1079836565 /nfs/dbraw/zinc/83/65/65/1079836565.db2.gz JPUPKGFHINLGLH-UHFFFAOYSA-N 1 2 402.503 0.844 20 0 HCADLO C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[NH+](Cc3ccc(C(N)=O)cc3)CC1)CS2 ZINC000046999002 1079838834 /nfs/dbraw/zinc/83/88/34/1079838834.db2.gz AWIIYRNUJUOYBF-UZLBHIALSA-N 1 2 402.520 0.884 20 0 HCADLO CNC(=O)c1cccc(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000046999361 1079838862 /nfs/dbraw/zinc/83/88/62/1079838862.db2.gz OSHYGWMXXPDQHX-UHFFFAOYSA-N 1 2 408.466 0.755 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000047028678 1079838887 /nfs/dbraw/zinc/83/88/87/1079838887.db2.gz LEPKHYFKCGTJNP-AWEZNQCLSA-N 1 2 401.496 0.868 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000047028723 1079838854 /nfs/dbraw/zinc/83/88/54/1079838854.db2.gz GMWVAJQHAVMNDU-CYBMUJFWSA-N 1 2 410.500 0.983 20 0 HCADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000047070572 1079839227 /nfs/dbraw/zinc/83/92/27/1079839227.db2.gz FQBBGCBYFSMWPV-VQIMIIECSA-N 1 2 406.556 0.953 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000047152014 1079840441 /nfs/dbraw/zinc/84/04/41/1079840441.db2.gz DMXUMFBZWWMATK-LBPRGKRZSA-N 1 2 409.284 0.996 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000047152015 1079840529 /nfs/dbraw/zinc/84/05/29/1079840529.db2.gz DMXUMFBZWWMATK-GFCCVEGCSA-N 1 2 409.284 0.996 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000047152068 1079840542 /nfs/dbraw/zinc/84/05/42/1079840542.db2.gz GMBUMBVBDKHTBZ-AWEZNQCLSA-N 1 2 412.512 0.102 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000047152069 1079840423 /nfs/dbraw/zinc/84/04/23/1079840423.db2.gz GMBUMBVBDKHTBZ-CQSZACIVSA-N 1 2 412.512 0.102 20 0 HCADLO O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000047213049 1079842045 /nfs/dbraw/zinc/84/20/45/1079842045.db2.gz BYBOITCRVSSZJW-LJQANCHMSA-N 1 2 410.515 0.949 20 0 HCADLO O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000047213052 1079842017 /nfs/dbraw/zinc/84/20/17/1079842017.db2.gz BYBOITCRVSSZJW-IBGZPJMESA-N 1 2 410.515 0.949 20 0 HCADLO CCOC(=O)Cc1csc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000047333184 1079843108 /nfs/dbraw/zinc/84/31/08/1079843108.db2.gz QFXFXVKTOMYGLU-UHFFFAOYSA-N 1 2 419.511 0.982 20 0 HCADLO CS(=O)(=O)c1ccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000047352814 1079843095 /nfs/dbraw/zinc/84/30/95/1079843095.db2.gz ZFEDZAPTACENFL-UHFFFAOYSA-N 1 2 404.496 0.824 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC1 ZINC000047496811 1079844773 /nfs/dbraw/zinc/84/47/73/1079844773.db2.gz KJAAGLFIZUCYGY-MRXNPFEDSA-N 1 2 403.545 0.724 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCCC[C@H]2C(=O)OCC)CC1 ZINC000047496812 1079844729 /nfs/dbraw/zinc/84/47/29/1079844729.db2.gz KJAAGLFIZUCYGY-INIZCTEOSA-N 1 2 403.545 0.724 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000047496834 1079844683 /nfs/dbraw/zinc/84/46/83/1079844683.db2.gz UCVUUQZDUAGFET-HNNXBMFYSA-N 1 2 403.545 0.582 20 0 HCADLO Cc1cc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000047498908 1079845359 /nfs/dbraw/zinc/84/53/59/1079845359.db2.gz RMNUBQSGNJIBKQ-UHFFFAOYSA-N 1 2 407.500 0.397 20 0 HCADLO CCn1cc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000047499769 1079845372 /nfs/dbraw/zinc/84/53/72/1079845372.db2.gz KOESWXMEXKLNCB-UHFFFAOYSA-N 1 2 407.500 0.572 20 0 HCADLO Cc1ccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1-n1cnnn1 ZINC000047503416 1079845379 /nfs/dbraw/zinc/84/53/79/1079845379.db2.gz QBEXKZUUMNQDHZ-UHFFFAOYSA-N 1 2 408.470 0.704 20 0 HCADLO Cc1nnnn1-c1cccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000047515911 1079845310 /nfs/dbraw/zinc/84/53/10/1079845310.db2.gz XRVOLUKCOOWJII-UHFFFAOYSA-N 1 2 408.470 0.704 20 0 HCADLO NC(=O)CSc1ccccc1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000047516556 1079845245 /nfs/dbraw/zinc/84/52/45/1079845245.db2.gz YSONABKUWQBLDR-UHFFFAOYSA-N 1 2 415.523 0.998 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1cccc(N2CCNC2=O)c1 ZINC000047521541 1079845858 /nfs/dbraw/zinc/84/58/58/1079845858.db2.gz AEXGGCUIXVUQNY-UHFFFAOYSA-N 1 2 410.482 0.950 20 0 HCADLO Cc1ccc(-n2cnnn2)cc1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000047522250 1079845763 /nfs/dbraw/zinc/84/57/63/1079845763.db2.gz TZXAMYINSBKRDO-UHFFFAOYSA-N 1 2 408.470 0.704 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(N2CCOCC2)nc1 ZINC000047524677 1079845813 /nfs/dbraw/zinc/84/58/13/1079845813.db2.gz VPKMXYBNLAMMQN-UHFFFAOYSA-N 1 2 412.498 0.652 20 0 HCADLO CC(C)[NH+](CC(=O)NC(=O)NCc1ccco1)CC(=O)NC(=O)NCc1ccco1 ZINC000047549120 1079845911 /nfs/dbraw/zinc/84/59/11/1079845911.db2.gz IFBYVVYNHAGZPK-UHFFFAOYSA-N 1 2 419.438 0.935 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1ccccn1 ZINC000047596312 1079847017 /nfs/dbraw/zinc/84/70/17/1079847017.db2.gz OIEZITNLHLSOAR-UHFFFAOYSA-N 1 2 404.496 0.428 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1ccncc1 ZINC000047596744 1079847051 /nfs/dbraw/zinc/84/70/51/1079847051.db2.gz BDFCBQKYEFNOTH-UHFFFAOYSA-N 1 2 404.496 0.428 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1cccnc1 ZINC000047597520 1079847081 /nfs/dbraw/zinc/84/70/81/1079847081.db2.gz NHDVBVCCACBMFM-UHFFFAOYSA-N 1 2 404.496 0.428 20 0 HCADLO CC(C)(C[NH+](CC(=O)N1CCNC1=O)CC(=O)N1CCNC1=O)c1ccccc1 ZINC000047614406 1079847580 /nfs/dbraw/zinc/84/75/80/1079847580.db2.gz YBTJLKKCHSEADA-UHFFFAOYSA-N 1 2 401.467 0.370 20 0 HCADLO C[C@H](C(=O)NCC1CCCCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768434 1080041936 /nfs/dbraw/zinc/04/19/36/1080041936.db2.gz VOUCWUFOOSTUGH-QGZVFWFLSA-N 1 2 415.604 0.181 20 0 HCADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000052643162 1080053877 /nfs/dbraw/zinc/05/38/77/1080053877.db2.gz HSUJMPDWVWLSAS-UHFFFAOYSA-N 1 2 403.545 0.582 20 0 HCADLO CCCNC(=O)C[N@@H+](CCC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000053366919 1077593307 /nfs/dbraw/zinc/59/33/07/1077593307.db2.gz SGCOZPPESSLGJY-UHFFFAOYSA-N 1 2 416.530 0.250 20 0 HCADLO CCCNC(=O)C[N@H+](CCC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000053366919 1077593292 /nfs/dbraw/zinc/59/32/92/1077593292.db2.gz SGCOZPPESSLGJY-UHFFFAOYSA-N 1 2 416.530 0.250 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000053394626 1077652334 /nfs/dbraw/zinc/65/23/34/1077652334.db2.gz MYJXRDUDBZAUSN-UHFFFAOYSA-N 1 2 412.465 0.928 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000053509949 1077631577 /nfs/dbraw/zinc/63/15/77/1077631577.db2.gz NBNQNZGUYKIKCQ-UHFFFAOYSA-N 1 2 407.496 0.998 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000053510222 1077634936 /nfs/dbraw/zinc/63/49/36/1077634936.db2.gz KTVOJNCPQGIFSE-UHFFFAOYSA-N 1 2 401.496 0.870 20 0 HCADLO COc1ccc(OC)c(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)CC2)c1 ZINC000053549783 1077822505 /nfs/dbraw/zinc/82/25/05/1077822505.db2.gz FGVNHYJTEJUZBZ-UHFFFAOYSA-N 1 2 414.466 0.300 20 0 HCADLO Cn1c(N2CC[NH+](CCOc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000053555156 1077825763 /nfs/dbraw/zinc/82/57/63/1077825763.db2.gz DWMPTNROEFOVGI-UHFFFAOYSA-N 1 2 418.885 0.815 20 0 HCADLO Cn1c(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000053555686 1077827443 /nfs/dbraw/zinc/82/74/43/1077827443.db2.gz CNIAONZZFCYYGT-UHFFFAOYSA-N 1 2 411.466 0.475 20 0 HCADLO Cn1cc(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1C(N)=O ZINC000053605386 1077854141 /nfs/dbraw/zinc/85/41/41/1077854141.db2.gz INJXPJVMISZZQL-UHFFFAOYSA-N 1 2 412.434 0.399 20 0 HCADLO Cc1noc(C2CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC2)n1 ZINC000053619512 1077857928 /nfs/dbraw/zinc/85/79/28/1077857928.db2.gz ZCRDRJHHWDVEDO-UHFFFAOYSA-N 1 2 401.533 0.734 20 0 HCADLO COc1ccc(OCC[N@@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000053836342 1078008869 /nfs/dbraw/zinc/00/88/69/1078008869.db2.gz SZXRRBZXZZCWNJ-UHFFFAOYSA-N 1 2 404.467 0.977 20 0 HCADLO COc1ccc(OCC[N@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000053836342 1078008865 /nfs/dbraw/zinc/00/88/65/1078008865.db2.gz SZXRRBZXZZCWNJ-UHFFFAOYSA-N 1 2 404.467 0.977 20 0 HCADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000053844716 1078009003 /nfs/dbraw/zinc/00/90/03/1078009003.db2.gz IIEWMWAXNDXJTA-UHFFFAOYSA-N 1 2 416.478 0.629 20 0 HCADLO CCn1c(=O)c(C(=O)C[NH+]2CCC(OC)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000053897358 1078008539 /nfs/dbraw/zinc/00/85/39/1078008539.db2.gz FZYKWCCNMMEVIH-UHFFFAOYSA-N 1 2 400.479 0.954 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000053959939 1078008852 /nfs/dbraw/zinc/00/88/52/1078008852.db2.gz LKVJRYLAOINACE-UXHICEINSA-N 1 2 416.522 0.920 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000053959939 1078008847 /nfs/dbraw/zinc/00/88/47/1078008847.db2.gz LKVJRYLAOINACE-UXHICEINSA-N 1 2 416.522 0.920 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000053959942 1078008739 /nfs/dbraw/zinc/00/87/39/1078008739.db2.gz LKVJRYLAOINACE-PMACEKPBSA-N 1 2 416.522 0.920 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000053959942 1078008732 /nfs/dbraw/zinc/00/87/32/1078008732.db2.gz LKVJRYLAOINACE-PMACEKPBSA-N 1 2 416.522 0.920 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000054085899 1078011356 /nfs/dbraw/zinc/01/13/56/1078011356.db2.gz ZECOJFOTMPGKQW-SFHVURJKSA-N 1 2 412.469 0.907 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000054085900 1078011395 /nfs/dbraw/zinc/01/13/95/1078011395.db2.gz ZECOJFOTMPGKQW-GOSISDBHSA-N 1 2 412.469 0.907 20 0 HCADLO CC(C)NC(=O)CN1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000054100999 1080098050 /nfs/dbraw/zinc/09/80/50/1080098050.db2.gz LPMYOOYJSDEADH-UHFFFAOYSA-N 1 2 417.554 0.871 20 0 HCADLO CC(C)NC(=O)C(=O)N1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000054118232 1078012005 /nfs/dbraw/zinc/01/20/05/1078012005.db2.gz VWVPCAIHZHVPPO-UHFFFAOYSA-N 1 2 403.483 0.071 20 0 HCADLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054147045 1078012581 /nfs/dbraw/zinc/01/25/81/1078012581.db2.gz ZWZPEESMZACSDT-NSHDSACASA-N 1 2 400.526 0.868 20 0 HCADLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054147048 1078012554 /nfs/dbraw/zinc/01/25/54/1078012554.db2.gz ZWZPEESMZACSDT-LLVKDONJSA-N 1 2 400.526 0.868 20 0 HCADLO CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000054151855 1080098613 /nfs/dbraw/zinc/09/86/13/1080098613.db2.gz MCEBUXOXVDFIJU-AWEZNQCLSA-N 1 2 405.528 0.660 20 0 HCADLO CCC(=O)N[C@H](CCSC)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000054151856 1080098689 /nfs/dbraw/zinc/09/86/89/1080098689.db2.gz MCEBUXOXVDFIJU-CQSZACIVSA-N 1 2 405.528 0.660 20 0 HCADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c(=O)[nH]c1=O ZINC000054204211 1078013780 /nfs/dbraw/zinc/01/37/80/1078013780.db2.gz CJRPHXHTFZVVHB-ZDUSSCGKSA-N 1 2 414.466 0.376 20 0 HCADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c(=O)[nH]c1=O ZINC000054204211 1078013774 /nfs/dbraw/zinc/01/37/74/1078013774.db2.gz CJRPHXHTFZVVHB-ZDUSSCGKSA-N 1 2 414.466 0.376 20 0 HCADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(=O)[nH]c1=O ZINC000054204213 1078013906 /nfs/dbraw/zinc/01/39/06/1078013906.db2.gz CJRPHXHTFZVVHB-CYBMUJFWSA-N 1 2 414.466 0.376 20 0 HCADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(=O)[nH]c1=O ZINC000054204213 1078013899 /nfs/dbraw/zinc/01/38/99/1078013899.db2.gz CJRPHXHTFZVVHB-CYBMUJFWSA-N 1 2 414.466 0.376 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCNC(=O)CC2)CC1 ZINC000054258623 1078013297 /nfs/dbraw/zinc/01/32/97/1078013297.db2.gz FLDITQQHLTZBSA-UHFFFAOYSA-N 1 2 401.511 0.154 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCNC(=O)CC2)CC1 ZINC000054258623 1078013290 /nfs/dbraw/zinc/01/32/90/1078013290.db2.gz FLDITQQHLTZBSA-UHFFFAOYSA-N 1 2 401.511 0.154 20 0 HCADLO Cc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000054316851 1078014185 /nfs/dbraw/zinc/01/41/85/1078014185.db2.gz JERDGYJYALACNX-QGZVFWFLSA-N 1 2 409.556 0.432 20 0 HCADLO Cc1cccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000054316852 1078014253 /nfs/dbraw/zinc/01/42/53/1078014253.db2.gz JERDGYJYALACNX-KRWDZBQOSA-N 1 2 409.556 0.432 20 0 HCADLO COCC[N@@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000054354295 1078014482 /nfs/dbraw/zinc/01/44/82/1078014482.db2.gz IBNBOYSUBKULAG-UHFFFAOYSA-N 1 2 405.904 0.878 20 0 HCADLO COCC[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000054354295 1078014477 /nfs/dbraw/zinc/01/44/77/1078014477.db2.gz IBNBOYSUBKULAG-UHFFFAOYSA-N 1 2 405.904 0.878 20 0 HCADLO CC[C@@H](c1nnc(SCCC(=O)NC(N)=O)n1CCN1CCOCC1)[NH+](C)C ZINC000054357581 1078014680 /nfs/dbraw/zinc/01/46/80/1078014680.db2.gz UXQMMNNKDPBEAW-ZDUSSCGKSA-N 1 2 413.548 0.300 20 0 HCADLO CC[C@H](c1nnc(SCCC(=O)NC(N)=O)n1CCN1CCOCC1)[NH+](C)C ZINC000054357582 1078014632 /nfs/dbraw/zinc/01/46/32/1078014632.db2.gz UXQMMNNKDPBEAW-CYBMUJFWSA-N 1 2 413.548 0.300 20 0 HCADLO O=C(C[N@H+]1CCCN(C(=O)c2ccsc2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000054364367 1078014881 /nfs/dbraw/zinc/01/48/81/1078014881.db2.gz DMLLCTQLUGGSJB-UHFFFAOYSA-N 1 2 404.536 0.977 20 0 HCADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000054364367 1078014875 /nfs/dbraw/zinc/01/48/75/1078014875.db2.gz DMLLCTQLUGGSJB-UHFFFAOYSA-N 1 2 404.536 0.977 20 0 HCADLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C2 ZINC000054391232 1080103234 /nfs/dbraw/zinc/10/32/34/1080103234.db2.gz SLPRXAFFGGNWHO-UHFFFAOYSA-N 1 2 401.511 0.236 20 0 HCADLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C2 ZINC000054391232 1080103222 /nfs/dbraw/zinc/10/32/22/1080103222.db2.gz SLPRXAFFGGNWHO-UHFFFAOYSA-N 1 2 401.511 0.236 20 0 HCADLO COc1ccc(CN2C(=O)C(=O)N(C[NH+]3CCC(NC(=O)C4CC4)CC3)C2=O)cc1 ZINC000054470643 1080069514 /nfs/dbraw/zinc/06/95/14/1080069514.db2.gz CVIZRLSHVIYNRT-UHFFFAOYSA-N 1 2 414.462 0.934 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1cccnc1N1CCOCC1 ZINC000054482565 1078015764 /nfs/dbraw/zinc/01/57/64/1078015764.db2.gz XZDNBAGQVMUAQC-UHFFFAOYSA-N 1 2 412.498 0.652 20 0 HCADLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)n1 ZINC000054676465 1078017214 /nfs/dbraw/zinc/01/72/14/1078017214.db2.gz WTADASONCVLBLS-CQSZACIVSA-N 1 2 405.480 0.794 20 0 HCADLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)n1 ZINC000054676465 1078017207 /nfs/dbraw/zinc/01/72/07/1078017207.db2.gz WTADASONCVLBLS-CQSZACIVSA-N 1 2 405.480 0.794 20 0 HCADLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)n1 ZINC000054676467 1078017185 /nfs/dbraw/zinc/01/71/85/1078017185.db2.gz WTADASONCVLBLS-AWEZNQCLSA-N 1 2 405.480 0.794 20 0 HCADLO Cc1noc([C@H]2CCC[N@H+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)n1 ZINC000054676467 1078017179 /nfs/dbraw/zinc/01/71/79/1078017179.db2.gz WTADASONCVLBLS-AWEZNQCLSA-N 1 2 405.480 0.794 20 0 HCADLO Cc1noc(C2CC[NH+](CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)n1 ZINC000054678172 1078017197 /nfs/dbraw/zinc/01/71/97/1078017197.db2.gz DPLGORYOIOXHLV-UHFFFAOYSA-N 1 2 405.480 0.794 20 0 HCADLO Cc1noc(C2CC[NH+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000054679037 1078017250 /nfs/dbraw/zinc/01/72/50/1078017250.db2.gz LUBHDKDUWBLXSZ-UHFFFAOYSA-N 1 2 407.496 0.564 20 0 HCADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000054710010 1078017586 /nfs/dbraw/zinc/01/75/86/1078017586.db2.gz WEXSJLOIMKFEMM-QGZVFWFLSA-N 1 2 404.559 0.691 20 0 HCADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000054710012 1078017472 /nfs/dbraw/zinc/01/74/72/1078017472.db2.gz WEXSJLOIMKFEMM-KRWDZBQOSA-N 1 2 404.559 0.691 20 0 HCADLO O=C(NCCN1C(=O)c2ccccc2C1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000054724147 1078017820 /nfs/dbraw/zinc/01/78/20/1078017820.db2.gz SHTCYDSNCQFZBF-HXUWFJFHSA-N 1 2 418.519 0.790 20 0 HCADLO O=C(NCCN1C(=O)c2ccccc2C1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000054724152 1078017687 /nfs/dbraw/zinc/01/76/87/1078017687.db2.gz SHTCYDSNCQFZBF-FQEVSTJZSA-N 1 2 418.519 0.790 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccnc1N1CCOCC1)[NH+]1CCOCC1 ZINC000054848687 1079563006 /nfs/dbraw/zinc/56/30/06/1079563006.db2.gz DUYSUPHNGXYCCT-QGZVFWFLSA-N 1 2 405.499 0.330 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccnc1N1CCOCC1)[NH+]1CCOCC1 ZINC000054848689 1079563688 /nfs/dbraw/zinc/56/36/88/1079563688.db2.gz DUYSUPHNGXYCCT-KRWDZBQOSA-N 1 2 405.499 0.330 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccnc1N1CCOCC1)[NH+]1CCOCC1 ZINC000054848765 1078019165 /nfs/dbraw/zinc/01/91/65/1078019165.db2.gz QUCGJHSRKGSSSM-KRWDZBQOSA-N 1 2 419.526 0.720 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccnc1N1CCOCC1)[NH+]1CCOCC1 ZINC000054848767 1078019222 /nfs/dbraw/zinc/01/92/22/1078019222.db2.gz QUCGJHSRKGSSSM-QGZVFWFLSA-N 1 2 419.526 0.720 20 0 HCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCNC(=O)CC3)CC2)cc1OC ZINC000054867855 1078019639 /nfs/dbraw/zinc/01/96/39/1078019639.db2.gz SXBDRNKKNLMLMC-UHFFFAOYSA-N 1 2 404.511 0.478 20 0 HCADLO Cn1c2nnc(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)n2c2ccccc2c1=O ZINC000054887225 1078020520 /nfs/dbraw/zinc/02/05/20/1078020520.db2.gz SYVXQUJTWFFJQP-HNNXBMFYSA-N 1 2 410.478 0.652 20 0 HCADLO Cn1c2nnc(C[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)n2c2ccccc2c1=O ZINC000054887225 1078020514 /nfs/dbraw/zinc/02/05/14/1078020514.db2.gz SYVXQUJTWFFJQP-HNNXBMFYSA-N 1 2 410.478 0.652 20 0 HCADLO Cn1c2nnc(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)n2c2ccccc2c1=O ZINC000054887226 1078020424 /nfs/dbraw/zinc/02/04/24/1078020424.db2.gz SYVXQUJTWFFJQP-OAHLLOKOSA-N 1 2 410.478 0.652 20 0 HCADLO Cn1c2nnc(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)n2c2ccccc2c1=O ZINC000054887226 1078020416 /nfs/dbraw/zinc/02/04/16/1078020416.db2.gz SYVXQUJTWFFJQP-OAHLLOKOSA-N 1 2 410.478 0.652 20 0 HCADLO NC(=O)COc1ccc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000054933837 1078022074 /nfs/dbraw/zinc/02/20/74/1078022074.db2.gz OEPDINLTBJPRND-UHFFFAOYSA-N 1 2 402.476 0.725 20 0 HCADLO NC(=O)COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000054933837 1078022069 /nfs/dbraw/zinc/02/20/69/1078022069.db2.gz OEPDINLTBJPRND-UHFFFAOYSA-N 1 2 402.476 0.725 20 0 HCADLO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000054934277 1078021962 /nfs/dbraw/zinc/02/19/62/1078021962.db2.gz KLECTZCYNJNLBA-UHFFFAOYSA-N 1 2 408.505 0.660 20 0 HCADLO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000054934277 1078021956 /nfs/dbraw/zinc/02/19/56/1078021956.db2.gz KLECTZCYNJNLBA-UHFFFAOYSA-N 1 2 408.505 0.660 20 0 HCADLO Cn1c2nnc(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)n2c2ccsc2c1=O ZINC000054984229 1078020935 /nfs/dbraw/zinc/02/09/35/1078020935.db2.gz JOCHIWYMOWXNQF-ZDUSSCGKSA-N 1 2 416.507 0.714 20 0 HCADLO Cn1c2nnc(C[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)n2c2ccsc2c1=O ZINC000054984229 1078020929 /nfs/dbraw/zinc/02/09/29/1078020929.db2.gz JOCHIWYMOWXNQF-ZDUSSCGKSA-N 1 2 416.507 0.714 20 0 HCADLO Cn1c2nnc(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)n2c2ccsc2c1=O ZINC000054984232 1078021485 /nfs/dbraw/zinc/02/14/85/1078021485.db2.gz JOCHIWYMOWXNQF-CYBMUJFWSA-N 1 2 416.507 0.714 20 0 HCADLO Cn1c2nnc(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)n2c2ccsc2c1=O ZINC000054984232 1078021474 /nfs/dbraw/zinc/02/14/74/1078021474.db2.gz JOCHIWYMOWXNQF-CYBMUJFWSA-N 1 2 416.507 0.714 20 0 HCADLO O=C(C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000054986778 1078021405 /nfs/dbraw/zinc/02/14/05/1078021405.db2.gz ZBDLCLIJGWVPBT-LJQANCHMSA-N 1 2 414.506 0.518 20 0 HCADLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000054986778 1078021399 /nfs/dbraw/zinc/02/13/99/1078021399.db2.gz ZBDLCLIJGWVPBT-LJQANCHMSA-N 1 2 414.506 0.518 20 0 HCADLO O=C(C[N@H+]1CCC[C@H]1C(=O)NC1CC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000054986780 1078021350 /nfs/dbraw/zinc/02/13/50/1078021350.db2.gz ZBDLCLIJGWVPBT-IBGZPJMESA-N 1 2 414.506 0.518 20 0 HCADLO O=C(C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000054986780 1078021342 /nfs/dbraw/zinc/02/13/42/1078021342.db2.gz ZBDLCLIJGWVPBT-IBGZPJMESA-N 1 2 414.506 0.518 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC)CC1 ZINC000055015580 1080186209 /nfs/dbraw/zinc/18/62/09/1080186209.db2.gz WXLBGSHUTVLWQG-LJQANCHMSA-N 1 2 415.538 0.542 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC)CC1 ZINC000055015580 1080186174 /nfs/dbraw/zinc/18/61/74/1080186174.db2.gz WXLBGSHUTVLWQG-LJQANCHMSA-N 1 2 415.538 0.542 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)NC)CC1 ZINC000055015585 1080186581 /nfs/dbraw/zinc/18/65/81/1080186581.db2.gz WXLBGSHUTVLWQG-IBGZPJMESA-N 1 2 415.538 0.542 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC)CC1 ZINC000055015585 1080186565 /nfs/dbraw/zinc/18/65/65/1080186565.db2.gz WXLBGSHUTVLWQG-IBGZPJMESA-N 1 2 415.538 0.542 20 0 HCADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000055019156 1078021723 /nfs/dbraw/zinc/02/17/23/1078021723.db2.gz ZHWORIOVEVRRSB-IBGZPJMESA-N 1 2 400.523 0.937 20 0 HCADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000055019156 1078021716 /nfs/dbraw/zinc/02/17/16/1078021716.db2.gz ZHWORIOVEVRRSB-IBGZPJMESA-N 1 2 400.523 0.937 20 0 HCADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000055019158 1078021643 /nfs/dbraw/zinc/02/16/43/1078021643.db2.gz ZHWORIOVEVRRSB-LJQANCHMSA-N 1 2 400.523 0.937 20 0 HCADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000055019158 1078021637 /nfs/dbraw/zinc/02/16/37/1078021637.db2.gz ZHWORIOVEVRRSB-LJQANCHMSA-N 1 2 400.523 0.937 20 0 HCADLO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](CNS(C)(=O)=O)C3)C2=O)cc1 ZINC000055120850 1078022901 /nfs/dbraw/zinc/02/29/01/1078022901.db2.gz XFKWOQWAZMYXSK-PBHICJAKSA-N 1 2 409.508 0.978 20 0 HCADLO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](CNS(C)(=O)=O)C3)C2=O)cc1 ZINC000055120850 1078022895 /nfs/dbraw/zinc/02/28/95/1078022895.db2.gz XFKWOQWAZMYXSK-PBHICJAKSA-N 1 2 409.508 0.978 20 0 HCADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000055235529 1078024498 /nfs/dbraw/zinc/02/44/98/1078024498.db2.gz FSSKPUTUMIVYET-QGZVFWFLSA-N 1 2 413.540 0.966 20 0 HCADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000055235529 1078024493 /nfs/dbraw/zinc/02/44/93/1078024493.db2.gz FSSKPUTUMIVYET-QGZVFWFLSA-N 1 2 413.540 0.966 20 0 HCADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000055235531 1078024778 /nfs/dbraw/zinc/02/47/78/1078024778.db2.gz FSSKPUTUMIVYET-KRWDZBQOSA-N 1 2 413.540 0.966 20 0 HCADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000055235531 1078024773 /nfs/dbraw/zinc/02/47/73/1078024773.db2.gz FSSKPUTUMIVYET-KRWDZBQOSA-N 1 2 413.540 0.966 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000055248927 1078024636 /nfs/dbraw/zinc/02/46/36/1078024636.db2.gz VBSPDURKJVUFIK-SJLPKXTDSA-N 1 2 419.613 0.905 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000055248928 1078024754 /nfs/dbraw/zinc/02/47/54/1078024754.db2.gz VBSPDURKJVUFIK-FUHWJXTLSA-N 1 2 419.613 0.905 20 0 HCADLO O=C(CCc1nccs1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000055250908 1078024960 /nfs/dbraw/zinc/02/49/60/1078024960.db2.gz CDLSUWPSBBUASE-UHFFFAOYSA-N 1 2 409.537 0.739 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 ZINC000055314480 1078025624 /nfs/dbraw/zinc/02/56/24/1078025624.db2.gz XUWVGIBXULFQSV-INIZCTEOSA-N 1 2 408.466 0.812 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 ZINC000055314482 1078025485 /nfs/dbraw/zinc/02/54/85/1078025485.db2.gz XUWVGIBXULFQSV-MRXNPFEDSA-N 1 2 408.466 0.812 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 ZINC000055314544 1078025519 /nfs/dbraw/zinc/02/55/19/1078025519.db2.gz FXYBOUJPAVDZLZ-ZDUSSCGKSA-N 1 2 414.495 0.873 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 ZINC000055314546 1078025545 /nfs/dbraw/zinc/02/55/45/1078025545.db2.gz FXYBOUJPAVDZLZ-CYBMUJFWSA-N 1 2 414.495 0.873 20 0 HCADLO COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000055583976 1080210376 /nfs/dbraw/zinc/21/03/76/1080210376.db2.gz INUYUHJPMHERIR-GOSISDBHSA-N 1 2 410.496 0.465 20 0 HCADLO COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000055583977 1080210558 /nfs/dbraw/zinc/21/05/58/1080210558.db2.gz INUYUHJPMHERIR-SFHVURJKSA-N 1 2 410.496 0.465 20 0 HCADLO Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)cc1C(N)=O ZINC000055688451 1080214564 /nfs/dbraw/zinc/21/45/64/1080214564.db2.gz FWWQXCXESILLFY-UHFFFAOYSA-N 1 2 419.507 0.241 20 0 HCADLO C[NH+]1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(C(N)=O)cc3)cc2)CC1 ZINC000055688461 1080214246 /nfs/dbraw/zinc/21/42/46/1080214246.db2.gz FLYIKOMBYSEESN-UHFFFAOYSA-N 1 2 416.503 0.903 20 0 HCADLO Cn1c2ncn(CCC(=O)NCc3ccccc3-n3cc[nH+]c3)c2c(=O)n(C)c1=O ZINC000055696275 1078031423 /nfs/dbraw/zinc/03/14/23/1078031423.db2.gz ZPQGRQZXXQKTMK-UHFFFAOYSA-N 1 2 407.434 0.326 20 0 HCADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696590 1078031441 /nfs/dbraw/zinc/03/14/41/1078031441.db2.gz VWYJXXIXFTUQPK-UHFFFAOYSA-N 1 2 404.224 0.801 20 0 HCADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000055696817 1080214582 /nfs/dbraw/zinc/21/45/82/1080214582.db2.gz IRFHLYVTCKVIDK-HZPDHXFCSA-N 1 2 402.476 0.524 20 0 HCADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000055696818 1080214278 /nfs/dbraw/zinc/21/42/78/1080214278.db2.gz IRFHLYVTCKVIDK-JKSUJKDBSA-N 1 2 402.476 0.524 20 0 HCADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000055696819 1080214442 /nfs/dbraw/zinc/21/44/42/1080214442.db2.gz IRFHLYVTCKVIDK-CVEARBPZSA-N 1 2 402.476 0.524 20 0 HCADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000055696820 1080214336 /nfs/dbraw/zinc/21/43/36/1080214336.db2.gz IRFHLYVTCKVIDK-HOTGVXAUSA-N 1 2 402.476 0.524 20 0 HCADLO COC(=O)COc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000055751581 1080215479 /nfs/dbraw/zinc/21/54/79/1080215479.db2.gz DCDBESRIVVBNBT-UHFFFAOYSA-N 1 2 410.434 0.878 20 0 HCADLO COc1ccc(NC(=O)CC[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000055900230 1078033450 /nfs/dbraw/zinc/03/34/50/1078033450.db2.gz SAQAWHDGWUTVIY-UHFFFAOYSA-N 1 2 404.467 0.027 20 0 HCADLO COc1ccc(NC(=O)CC[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000055901353 1078033427 /nfs/dbraw/zinc/03/34/27/1078033427.db2.gz FPWGFLMWGWXGFX-UHFFFAOYSA-N 1 2 412.512 0.218 20 0 HCADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1)N1CCc2sccc2C1 ZINC000055903953 1080224796 /nfs/dbraw/zinc/22/47/96/1080224796.db2.gz DSHAVBYNQDAKDQ-UHFFFAOYSA-N 1 2 404.536 0.790 20 0 HCADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000055996565 1078035715 /nfs/dbraw/zinc/03/57/15/1078035715.db2.gz TXAYAGDXUDZXJR-KRWDZBQOSA-N 1 2 405.524 0.848 20 0 HCADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000055996566 1078035641 /nfs/dbraw/zinc/03/56/41/1078035641.db2.gz TXAYAGDXUDZXJR-QGZVFWFLSA-N 1 2 405.524 0.848 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)CC1 ZINC000056054322 1080234555 /nfs/dbraw/zinc/23/45/55/1080234555.db2.gz ICFZNAVUUIPKDA-UHFFFAOYSA-N 1 2 410.540 0.657 20 0 HCADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000056060153 1080235650 /nfs/dbraw/zinc/23/56/50/1080235650.db2.gz PPYHMIGFZFFENH-UHFFFAOYSA-N 1 2 410.521 0.937 20 0 HCADLO O=c1[nH]c2ccc(S(=O)(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2[nH]c1=O ZINC000056060185 1078036567 /nfs/dbraw/zinc/03/65/67/1078036567.db2.gz KUVQZYLUKJXTRW-UHFFFAOYSA-N 1 2 401.448 0.559 20 0 HCADLO CN(CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)c1ncnc2[nH]cnc21 ZINC000056203750 1079849379 /nfs/dbraw/zinc/84/93/79/1079849379.db2.gz AJBNFXZFGCJJGI-UHFFFAOYSA-N 1 2 408.510 0.723 20 0 HCADLO C[C@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000056215976 1080243679 /nfs/dbraw/zinc/24/36/79/1080243679.db2.gz PMMCQUUTHPOJJH-AWEZNQCLSA-N 1 2 415.494 0.224 20 0 HCADLO C[C@@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000056215977 1080243884 /nfs/dbraw/zinc/24/38/84/1080243884.db2.gz PMMCQUUTHPOJJH-CQSZACIVSA-N 1 2 415.494 0.224 20 0 HCADLO Cc1cc(N2CCN(C(=O)CSCc3nc(N)nc(N)n3)CC2)nc(C(C)C)[nH+]1 ZINC000056229130 1080244332 /nfs/dbraw/zinc/24/43/32/1080244332.db2.gz PNZHXMTXMCVDKF-UHFFFAOYSA-N 1 2 417.543 0.840 20 0 HCADLO CCN1CCN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C(=O)C1=O ZINC000056271796 1080245690 /nfs/dbraw/zinc/24/56/90/1080245690.db2.gz HJYWECIVRUKVRR-UHFFFAOYSA-N 1 2 402.499 0.248 20 0 HCADLO CCOc1ccc(C[NH+]2CCN(C(=O)CN3CCN(CC)C(=O)C3=O)CC2)cc1 ZINC000056291243 1080246261 /nfs/dbraw/zinc/24/62/61/1080246261.db2.gz KLGRAVQIWUQMPR-UHFFFAOYSA-N 1 2 402.495 0.420 20 0 HCADLO CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)o1 ZINC000056299474 1079850380 /nfs/dbraw/zinc/85/03/80/1079850380.db2.gz NJSBYCGYCAOAGL-UHFFFAOYSA-N 1 2 406.464 0.828 20 0 HCADLO Cn1nnnc1SCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000056328079 1080248532 /nfs/dbraw/zinc/24/85/32/1080248532.db2.gz IBENISGSJOVMEW-UHFFFAOYSA-N 1 2 403.512 0.912 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)o1 ZINC000056328277 1080248581 /nfs/dbraw/zinc/24/85/81/1080248581.db2.gz OZJKNQIPHNUHBB-UHFFFAOYSA-N 1 2 406.464 0.760 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000056329696 1079851444 /nfs/dbraw/zinc/85/14/44/1079851444.db2.gz RBEXOIRQLSBDAF-UHFFFAOYSA-N 1 2 405.484 0.068 20 0 HCADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000056368488 1080250769 /nfs/dbraw/zinc/25/07/69/1080250769.db2.gz WUTLQAAQDNFLAL-UHFFFAOYSA-N 1 2 419.467 0.183 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNC(=O)NC2CCCCC2)CC1 ZINC000056368521 1080250881 /nfs/dbraw/zinc/25/08/81/1080250881.db2.gz UDXRRBWIIZFDAL-UHFFFAOYSA-N 1 2 400.487 0.644 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000056626076 1079855290 /nfs/dbraw/zinc/85/52/90/1079855290.db2.gz BUKVDWQEZJNXEA-KRWDZBQOSA-N 1 2 410.540 0.813 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000056626077 1079855349 /nfs/dbraw/zinc/85/53/49/1079855349.db2.gz BUKVDWQEZJNXEA-QGZVFWFLSA-N 1 2 410.540 0.813 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(Cc2cscn2)CC1 ZINC000056729828 1080271865 /nfs/dbraw/zinc/27/18/65/1080271865.db2.gz WPVGOYKRLLGFNA-UHFFFAOYSA-N 1 2 416.555 0.583 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H](O)COc1ccc(F)cc1 ZINC000056729858 1079856529 /nfs/dbraw/zinc/85/65/29/1079856529.db2.gz QMZIYNURQSIHHU-KRWDZBQOSA-N 1 2 418.473 0.477 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H](O)COc1ccc(F)cc1 ZINC000056729859 1079856449 /nfs/dbraw/zinc/85/64/49/1079856449.db2.gz QMZIYNURQSIHHU-QGZVFWFLSA-N 1 2 418.473 0.477 20 0 HCADLO C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCc1ccccc1 ZINC000056760138 1079856557 /nfs/dbraw/zinc/85/65/57/1079856557.db2.gz RLODLXZMPDXCSN-KRWDZBQOSA-N 1 2 411.510 0.603 20 0 HCADLO C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCc1ccccc1 ZINC000056760139 1079856434 /nfs/dbraw/zinc/85/64/34/1079856434.db2.gz RLODLXZMPDXCSN-QGZVFWFLSA-N 1 2 411.510 0.603 20 0 HCADLO CC1CCC(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000056819063 1079857757 /nfs/dbraw/zinc/85/77/57/1079857757.db2.gz OMQXXTVCIFKFCG-UHFFFAOYSA-N 1 2 401.577 0.632 20 0 HCADLO O=C(NCCNC(=O)c1ccc(F)cc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000056835405 1079858028 /nfs/dbraw/zinc/85/80/28/1079858028.db2.gz IAYKWJWIBHKGRG-UHFFFAOYSA-N 1 2 415.473 0.467 20 0 HCADLO O=C(CN1CCOCC1)N1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000056895020 1079859115 /nfs/dbraw/zinc/85/91/15/1079859115.db2.gz DXOLWUAQNLBLNN-UHFFFAOYSA-N 1 2 412.494 0.558 20 0 HCADLO O=C(CCNC(=O)NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000056895694 1079859125 /nfs/dbraw/zinc/85/91/25/1079859125.db2.gz VMAQENQKXLZGTE-OAHLLOKOSA-N 1 2 405.480 0.365 20 0 HCADLO O=C(CCNC(=O)NCc1ccccc1-n1cc[nH+]c1)N[C@H]1CCS(=O)(=O)C1 ZINC000056895695 1079859033 /nfs/dbraw/zinc/85/90/33/1079859033.db2.gz VMAQENQKXLZGTE-HNNXBMFYSA-N 1 2 405.480 0.365 20 0 HCADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000056895752 1079859094 /nfs/dbraw/zinc/85/90/94/1079859094.db2.gz MOROXHXIYQYMOY-UHFFFAOYSA-N 1 2 410.478 0.849 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000056925491 1079859755 /nfs/dbraw/zinc/85/97/55/1079859755.db2.gz BUOWMELWWWGHIL-MRXNPFEDSA-N 1 2 402.495 0.719 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000056925491 1079859750 /nfs/dbraw/zinc/85/97/50/1079859750.db2.gz BUOWMELWWWGHIL-MRXNPFEDSA-N 1 2 402.495 0.719 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000056925492 1079859667 /nfs/dbraw/zinc/85/96/67/1079859667.db2.gz BUOWMELWWWGHIL-INIZCTEOSA-N 1 2 402.495 0.719 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000056925492 1079859661 /nfs/dbraw/zinc/85/96/61/1079859661.db2.gz BUOWMELWWWGHIL-INIZCTEOSA-N 1 2 402.495 0.719 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(-c3ccc(OCC)nn3)c2C)CC1 ZINC000056925678 1079859700 /nfs/dbraw/zinc/85/97/00/1079859700.db2.gz WDMRLUAOHICZHZ-UHFFFAOYSA-N 1 2 415.498 0.653 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc(OCC)nn3)c2C)CC1 ZINC000056925678 1079859697 /nfs/dbraw/zinc/85/96/97/1079859697.db2.gz WDMRLUAOHICZHZ-UHFFFAOYSA-N 1 2 415.498 0.653 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1 ZINC000056925776 1080285672 /nfs/dbraw/zinc/28/56/72/1080285672.db2.gz IZTVFIVMLQTYAA-UHFFFAOYSA-N 1 2 411.462 0.813 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1 ZINC000056925776 1080285665 /nfs/dbraw/zinc/28/56/65/1080285665.db2.gz IZTVFIVMLQTYAA-UHFFFAOYSA-N 1 2 411.462 0.813 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000056925821 1080285541 /nfs/dbraw/zinc/28/55/41/1080285541.db2.gz XMJYFNSUOKRYDJ-UHFFFAOYSA-N 1 2 407.515 0.158 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000056925821 1080285533 /nfs/dbraw/zinc/28/55/33/1080285533.db2.gz XMJYFNSUOKRYDJ-UHFFFAOYSA-N 1 2 407.515 0.158 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000056925910 1080285618 /nfs/dbraw/zinc/28/56/18/1080285618.db2.gz XEBBLTPUKJYHNZ-UHFFFAOYSA-N 1 2 408.524 0.293 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000056925910 1080285610 /nfs/dbraw/zinc/28/56/10/1080285610.db2.gz XEBBLTPUKJYHNZ-UHFFFAOYSA-N 1 2 408.524 0.293 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000056925955 1080285640 /nfs/dbraw/zinc/28/56/40/1080285640.db2.gz ZQPAWQCFPZDMGW-UHFFFAOYSA-N 1 2 410.540 0.198 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000056925955 1080285633 /nfs/dbraw/zinc/28/56/33/1080285633.db2.gz ZQPAWQCFPZDMGW-UHFFFAOYSA-N 1 2 410.540 0.198 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)CC1 ZINC000056926001 1079859537 /nfs/dbraw/zinc/85/95/37/1079859537.db2.gz OKXUOWFDKHPOBG-UHFFFAOYSA-N 1 2 410.540 0.657 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)CC1 ZINC000056926001 1079859531 /nfs/dbraw/zinc/85/95/31/1079859531.db2.gz OKXUOWFDKHPOBG-UHFFFAOYSA-N 1 2 410.540 0.657 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000056926098 1079859552 /nfs/dbraw/zinc/85/95/52/1079859552.db2.gz XCFQZCNROORQLS-UHFFFAOYSA-N 1 2 410.540 0.334 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000056926098 1079859548 /nfs/dbraw/zinc/85/95/48/1079859548.db2.gz XCFQZCNROORQLS-UHFFFAOYSA-N 1 2 410.540 0.334 20 0 HCADLO CN(Cc1ccccc1)C(=O)CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000056926731 1080285429 /nfs/dbraw/zinc/28/54/29/1080285429.db2.gz UDTCSKNCSJQAOH-UHFFFAOYSA-N 1 2 411.510 0.556 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000056951144 1080287156 /nfs/dbraw/zinc/28/71/56/1080287156.db2.gz OLFKQTUAOSTFFE-UHFFFAOYSA-N 1 2 406.508 0.865 20 0 HCADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000056967158 1079860704 /nfs/dbraw/zinc/86/07/04/1079860704.db2.gz KSDVSBATQQXJJA-UHFFFAOYSA-N 1 2 405.524 0.850 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)nn1 ZINC000056971836 1079861224 /nfs/dbraw/zinc/86/12/24/1079861224.db2.gz MKRSBDHHHNYYFG-UHFFFAOYSA-N 1 2 403.462 0.057 20 0 HCADLO Cc1cc(N2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)CC2)nc(C(C)C)[nH+]1 ZINC000056973270 1079861214 /nfs/dbraw/zinc/86/12/14/1079861214.db2.gz IJLHOTUBAQNMNK-UHFFFAOYSA-N 1 2 400.487 0.551 20 0 HCADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000057018906 1079864495 /nfs/dbraw/zinc/86/44/95/1079864495.db2.gz VNPHPAOQEOFCRW-UHFFFAOYSA-N 1 2 415.562 0.945 20 0 HCADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000057018920 1079864453 /nfs/dbraw/zinc/86/44/53/1079864453.db2.gz SUBXGYIRUBOPBS-UHFFFAOYSA-N 1 2 415.562 0.945 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)CSCC(=O)N3CCOCC3)c2)CC1 ZINC000057054268 1079865241 /nfs/dbraw/zinc/86/52/41/1079865241.db2.gz PPCQULLSMGNKHV-UHFFFAOYSA-N 1 2 406.552 0.965 20 0 HCADLO COC(=O)c1cc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)oc1C ZINC000057054914 1079865101 /nfs/dbraw/zinc/86/51/01/1079865101.db2.gz TYTKKTRVBFNCLK-UHFFFAOYSA-N 1 2 402.455 0.786 20 0 HCADLO O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061518 1080293157 /nfs/dbraw/zinc/29/31/57/1080293157.db2.gz FFRLIBPAANNHSG-UHFFFAOYSA-N 1 2 419.489 0.639 20 0 HCADLO O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061664 1080292845 /nfs/dbraw/zinc/29/28/45/1080292845.db2.gz FFMIFJFIGOSSRC-CALCHBBNSA-N 1 2 414.510 0.280 20 0 HCADLO O=C(Cc1csc(N2CCCC2=O)n1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061753 1079865618 /nfs/dbraw/zinc/86/56/18/1079865618.db2.gz FCGGDWWXZZKLGO-UHFFFAOYSA-N 1 2 415.523 0.541 20 0 HCADLO CS(=O)(=O)Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000057061840 1080292903 /nfs/dbraw/zinc/29/29/03/1080292903.db2.gz FHLOCSLEVCCTSF-UHFFFAOYSA-N 1 2 403.508 0.573 20 0 HCADLO O=C(CCN1C(=O)c2ccccc2C1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061872 1080292883 /nfs/dbraw/zinc/29/28/83/1080292883.db2.gz ZCVYBOHOIJJDAF-UHFFFAOYSA-N 1 2 408.462 0.401 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000057061887 1080293093 /nfs/dbraw/zinc/29/30/93/1080293093.db2.gz XUYALGIEIKOPMP-UHFFFAOYSA-N 1 2 418.523 0.279 20 0 HCADLO O=C(CCc1nc2ccccc2c(=O)[nH]1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061895 1080292958 /nfs/dbraw/zinc/29/29/58/1080292958.db2.gz OOIADPDKNIDEBF-UHFFFAOYSA-N 1 2 407.478 0.584 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000057061901 1079865741 /nfs/dbraw/zinc/86/57/41/1079865741.db2.gz KVNGVVGRWRMZJJ-UHFFFAOYSA-N 1 2 408.462 0.682 20 0 HCADLO O=C(CCN1C(=O)COc2ccccc21)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061917 1080293053 /nfs/dbraw/zinc/29/30/53/1080293053.db2.gz DYYUJELAABAEFU-UHFFFAOYSA-N 1 2 410.478 0.531 20 0 HCADLO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061958 1080293030 /nfs/dbraw/zinc/29/30/30/1080293030.db2.gz LWQIHQKMVOIMMR-KRWDZBQOSA-N 1 2 400.483 0.762 20 0 HCADLO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061959 1080292865 /nfs/dbraw/zinc/29/28/65/1080292865.db2.gz LWQIHQKMVOIMMR-QGZVFWFLSA-N 1 2 400.483 0.762 20 0 HCADLO O=C(CCNS(=O)(=O)c1ccccc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061983 1080292999 /nfs/dbraw/zinc/29/29/99/1080292999.db2.gz HLOKJHMICBPMBF-UHFFFAOYSA-N 1 2 418.523 0.083 20 0 HCADLO Cc1nc2ncnn2c(C)c1CCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061996 1079865649 /nfs/dbraw/zinc/86/56/49/1079865649.db2.gz KROCLDGLAKSXLX-UHFFFAOYSA-N 1 2 409.498 0.402 20 0 HCADLO COc1cc(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc(OC)c1OC ZINC000057062028 1080293128 /nfs/dbraw/zinc/29/31/28/1080293128.db2.gz GBHLPWCUZDSIDJ-UHFFFAOYSA-N 1 2 415.494 0.983 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000057062040 1080292982 /nfs/dbraw/zinc/29/29/82/1080292982.db2.gz HNNAWHXSENQZCI-LJQANCHMSA-N 1 2 408.506 0.764 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000057062041 1080293071 /nfs/dbraw/zinc/29/30/71/1080293071.db2.gz HNNAWHXSENQZCI-IBGZPJMESA-N 1 2 408.506 0.764 20 0 HCADLO Cn1nc(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2c1=O ZINC000057062269 1079865578 /nfs/dbraw/zinc/86/55/78/1079865578.db2.gz OFGWTZKBPPTFID-UHFFFAOYSA-N 1 2 407.478 0.204 20 0 HCADLO O=C(Cn1nc(-c2ccccc2)oc1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062287 1080293107 /nfs/dbraw/zinc/29/31/07/1080293107.db2.gz XTJZJQXNGRNIOS-UHFFFAOYSA-N 1 2 409.450 0.232 20 0 HCADLO O=C(CN1C(=O)CSc2ccccc21)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062333 1080293950 /nfs/dbraw/zinc/29/39/50/1080293950.db2.gz ZEDLPDYBWCSWKF-UHFFFAOYSA-N 1 2 412.519 0.854 20 0 HCADLO Cc1cccc2c(=O)n(CC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)cnc12 ZINC000057062347 1079865664 /nfs/dbraw/zinc/86/56/64/1079865664.db2.gz SPWGTQDHRTYSJZ-UHFFFAOYSA-N 1 2 407.478 0.433 20 0 HCADLO O=C(CNC(=O)c1cccc(Cl)c1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062377 1080293583 /nfs/dbraw/zinc/29/35/83/1080293583.db2.gz LPPYQEJTMHYNHU-UHFFFAOYSA-N 1 2 402.886 0.798 20 0 HCADLO CCOc1ccccc1C(=O)NCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062379 1079865515 /nfs/dbraw/zinc/86/55/15/1079865515.db2.gz LGPZTIXIBQTOLE-UHFFFAOYSA-N 1 2 412.494 0.544 20 0 HCADLO CS(=O)(=O)Nc1cccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000057062394 1080080958 /nfs/dbraw/zinc/08/09/58/1080080958.db2.gz AUOQKFPPWBZMEC-UHFFFAOYSA-N 1 2 404.496 0.400 20 0 HCADLO CCOc1ccc(C(=O)NCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000057062426 1080293916 /nfs/dbraw/zinc/29/39/16/1080293916.db2.gz ISZSLLVQKUBKIH-UHFFFAOYSA-N 1 2 412.494 0.544 20 0 HCADLO O=C(CCCNC(=O)c1ccsc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062437 1080293465 /nfs/dbraw/zinc/29/34/65/1080293465.db2.gz IDHSOYXSXTWUMF-UHFFFAOYSA-N 1 2 402.524 0.987 20 0 HCADLO O=C(CCn1cnc2ccccc2c1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062526 1079865709 /nfs/dbraw/zinc/86/57/09/1079865709.db2.gz UBKFTRJJPYUSFF-UHFFFAOYSA-N 1 2 407.478 0.515 20 0 HCADLO CCn1c2ccccc2n(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1=O ZINC000057062527 1080293649 /nfs/dbraw/zinc/29/36/49/1080293649.db2.gz IBACMRIUCKYUJL-UHFFFAOYSA-N 1 2 409.494 0.551 20 0 HCADLO O=C(CCc1nc(-c2ccccn2)no1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062552 1079865678 /nfs/dbraw/zinc/86/56/78/1079865678.db2.gz AHMZDPFLHJGDSE-UHFFFAOYSA-N 1 2 408.466 0.793 20 0 HCADLO NC(=O)N[C@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1cccs1 ZINC000057062585 1079865526 /nfs/dbraw/zinc/86/55/26/1079865526.db2.gz MAITVEBOQZOPOA-CQSZACIVSA-N 1 2 403.512 0.576 20 0 HCADLO NC(=O)N[C@@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1cccs1 ZINC000057062586 1079865599 /nfs/dbraw/zinc/86/55/99/1079865599.db2.gz MAITVEBOQZOPOA-AWEZNQCLSA-N 1 2 403.512 0.576 20 0 HCADLO O=C(CCc1nc(-c2ccncc2)no1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062616 1079865587 /nfs/dbraw/zinc/86/55/87/1079865587.db2.gz PGJVVYSFEVHCCB-UHFFFAOYSA-N 1 2 408.466 0.793 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000057062634 1079865537 /nfs/dbraw/zinc/86/55/37/1079865537.db2.gz ZERVKHFCSSNDIW-UHFFFAOYSA-N 1 2 419.489 0.634 20 0 HCADLO CSc1nc(C)c(CCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c(=O)[nH]1 ZINC000057062636 1079865696 /nfs/dbraw/zinc/86/56/96/1079865696.db2.gz NSESJOLLSQTQJC-UHFFFAOYSA-N 1 2 417.539 0.461 20 0 HCADLO O=C(COc1ccc2c(c1)CCC(=O)N2)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062655 1079865726 /nfs/dbraw/zinc/86/57/26/1079865726.db2.gz ARVDNMXJYOLHBX-UHFFFAOYSA-N 1 2 410.478 0.679 20 0 HCADLO O=C(CCn1cnc2sccc2c1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062659 1080293614 /nfs/dbraw/zinc/29/36/14/1080293614.db2.gz XWZKMBHEQDFRTR-UHFFFAOYSA-N 1 2 413.507 0.577 20 0 HCADLO Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1NS(C)(=O)=O ZINC000057062710 1079866371 /nfs/dbraw/zinc/86/63/71/1079866371.db2.gz PDZNNLDEUOOGRA-UHFFFAOYSA-N 1 2 418.523 0.709 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000057062738 1080293889 /nfs/dbraw/zinc/29/38/89/1080293889.db2.gz FUBZBZGVBGOJBA-UHFFFAOYSA-N 1 2 412.494 0.860 20 0 HCADLO CS(=O)(=O)Nc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000057062761 1080293693 /nfs/dbraw/zinc/29/36/93/1080293693.db2.gz SPYHFQNGWUUJPB-UHFFFAOYSA-N 1 2 404.496 0.400 20 0 HCADLO C[C@H]1Oc2ccccc2N(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000057062763 1080293750 /nfs/dbraw/zinc/29/37/50/1080293750.db2.gz NEYUDARPMWTYQG-MRXNPFEDSA-N 1 2 410.478 0.529 20 0 HCADLO C[C@@H]1Oc2ccccc2N(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000057062764 1080293817 /nfs/dbraw/zinc/29/38/17/1080293817.db2.gz NEYUDARPMWTYQG-INIZCTEOSA-N 1 2 410.478 0.529 20 0 HCADLO CN(C)C(=O)COc1ccccc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062779 1079866353 /nfs/dbraw/zinc/86/63/53/1079866353.db2.gz ZNMMPXNTHLMVHP-UHFFFAOYSA-N 1 2 412.494 0.496 20 0 HCADLO NC(=O)CSc1ccccc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062783 1079866381 /nfs/dbraw/zinc/86/63/81/1079866381.db2.gz DHORIJJCQVLWQK-UHFFFAOYSA-N 1 2 400.508 0.606 20 0 HCADLO Cc1nc2ccccc2c(=O)n1CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062815 1079866403 /nfs/dbraw/zinc/86/64/03/1079866403.db2.gz MQZIPRXVEOVLDK-UHFFFAOYSA-N 1 2 407.478 0.433 20 0 HCADLO CN(CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccccc1 ZINC000057062855 1080293538 /nfs/dbraw/zinc/29/35/38/1080293538.db2.gz ARSHKWXCIRCHOQ-UHFFFAOYSA-N 1 2 418.523 0.036 20 0 HCADLO CCN(CC)C(=O)N1CCC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000057062905 1080293723 /nfs/dbraw/zinc/29/37/23/1080293723.db2.gz YRRPQPSBDYFRSB-UHFFFAOYSA-N 1 2 417.558 0.889 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000057062921 1080293567 /nfs/dbraw/zinc/29/35/67/1080293567.db2.gz ATYNHTDITUROIG-GOSISDBHSA-N 1 2 415.542 0.643 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000057062922 1080293427 /nfs/dbraw/zinc/29/34/27/1080293427.db2.gz ATYNHTDITUROIG-SFHVURJKSA-N 1 2 415.542 0.643 20 0 HCADLO Cc1cccc([C@@H](CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)NC(N)=O)c1 ZINC000057062930 1080293784 /nfs/dbraw/zinc/29/37/84/1080293784.db2.gz MYUJNEUDYIHIDA-GOSISDBHSA-N 1 2 411.510 0.823 20 0 HCADLO Cc1cccc([C@H](CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)NC(N)=O)c1 ZINC000057062931 1080293452 /nfs/dbraw/zinc/29/34/52/1080293452.db2.gz MYUJNEUDYIHIDA-SFHVURJKSA-N 1 2 411.510 0.823 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)C1CCN(CC(F)(F)F)CC1 ZINC000057062996 1079866408 /nfs/dbraw/zinc/86/64/08/1079866408.db2.gz ZYTZOBJNXWBVJO-UHFFFAOYSA-N 1 2 400.449 0.989 20 0 HCADLO O=C(CNC(=O)Cc1cccc(F)c1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057063098 1080293858 /nfs/dbraw/zinc/29/38/58/1080293858.db2.gz GOCRDYNUWPPWBH-UHFFFAOYSA-N 1 2 400.458 0.213 20 0 HCADLO Cc1nccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000057075732 1080295024 /nfs/dbraw/zinc/29/50/24/1080295024.db2.gz NTDHWAIBUYEJFL-UHFFFAOYSA-N 1 2 419.511 0.131 20 0 HCADLO CCN(CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)S(C)(=O)=O ZINC000057147279 1079868636 /nfs/dbraw/zinc/86/86/36/1079868636.db2.gz RJICYEWBBFMOER-MRXNPFEDSA-N 1 2 408.590 0.165 20 0 HCADLO CCN(CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)S(C)(=O)=O ZINC000057147281 1079868804 /nfs/dbraw/zinc/86/88/04/1079868804.db2.gz RJICYEWBBFMOER-INIZCTEOSA-N 1 2 408.590 0.165 20 0 HCADLO CCN(CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000057150415 1079868671 /nfs/dbraw/zinc/86/86/71/1079868671.db2.gz BDVCIHZJHBHOJR-GOSISDBHSA-N 1 2 412.556 0.858 20 0 HCADLO CCN(CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000057150415 1079868668 /nfs/dbraw/zinc/86/86/68/1079868668.db2.gz BDVCIHZJHBHOJR-GOSISDBHSA-N 1 2 412.556 0.858 20 0 HCADLO CCN(CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000057150416 1079868615 /nfs/dbraw/zinc/86/86/15/1079868615.db2.gz BDVCIHZJHBHOJR-SFHVURJKSA-N 1 2 412.556 0.858 20 0 HCADLO CCN(CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000057150416 1079868612 /nfs/dbraw/zinc/86/86/12/1079868612.db2.gz BDVCIHZJHBHOJR-SFHVURJKSA-N 1 2 412.556 0.858 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC000057153170 1079869396 /nfs/dbraw/zinc/86/93/96/1079869396.db2.gz VRNKBCYTGQKAMH-UHFFFAOYSA-N 1 2 415.404 0.720 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCOC1 ZINC000057161311 1079869348 /nfs/dbraw/zinc/86/93/48/1079869348.db2.gz YXOHFVOSRKMOJR-INIZCTEOSA-N 1 2 411.528 0.259 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCOC1 ZINC000057161312 1079869399 /nfs/dbraw/zinc/86/93/99/1079869399.db2.gz YXOHFVOSRKMOJR-MRXNPFEDSA-N 1 2 411.528 0.259 20 0 HCADLO O=C(CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)NC1CCCCC1 ZINC000057168397 1079869391 /nfs/dbraw/zinc/86/93/91/1079869391.db2.gz ZTKCYMTWURXKCD-UHFFFAOYSA-N 1 2 403.531 0.737 20 0 HCADLO O=C(CNC(=O)c1cc(F)cc(F)c1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057175234 1079869862 /nfs/dbraw/zinc/86/98/62/1079869862.db2.gz BZEDHJCYHLFOCO-UHFFFAOYSA-N 1 2 404.421 0.423 20 0 HCADLO Cc1c(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)nnn1-c1ccccc1 ZINC000057175430 1079870562 /nfs/dbraw/zinc/87/05/62/1079870562.db2.gz FPDNXSDQINZTDN-UHFFFAOYSA-N 1 2 406.494 0.847 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1cccc(O)c1 ZINC000057182530 1079870615 /nfs/dbraw/zinc/87/06/15/1079870615.db2.gz LWKDLBGQXHQQSF-UHFFFAOYSA-N 1 2 419.507 0.738 20 0 HCADLO CCNC(=O)NC1(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCC1 ZINC000057196229 1079870493 /nfs/dbraw/zinc/87/04/93/1079870493.db2.gz ZEQOYIAXZCAXRD-UHFFFAOYSA-N 1 2 400.487 0.644 20 0 HCADLO C[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057209769 1079871272 /nfs/dbraw/zinc/87/12/72/1079871272.db2.gz VOOUCOGNWOTQSM-OXJNMPFZSA-N 1 2 407.536 0.894 20 0 HCADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057209771 1079871184 /nfs/dbraw/zinc/87/11/84/1079871184.db2.gz VOOUCOGNWOTQSM-OXQOHEQNSA-N 1 2 407.536 0.894 20 0 HCADLO C[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057209772 1079871264 /nfs/dbraw/zinc/87/12/64/1079871264.db2.gz VOOUCOGNWOTQSM-JXFKEZNVSA-N 1 2 407.536 0.894 20 0 HCADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057209774 1079871325 /nfs/dbraw/zinc/87/13/25/1079871325.db2.gz VOOUCOGNWOTQSM-UZLBHIALSA-N 1 2 407.536 0.894 20 0 HCADLO CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000057209947 1079871285 /nfs/dbraw/zinc/87/12/85/1079871285.db2.gz GCIXTVKKADOHLW-GOSISDBHSA-N 1 2 413.565 0.923 20 0 HCADLO CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000057209949 1079871312 /nfs/dbraw/zinc/87/13/12/1079871312.db2.gz GCIXTVKKADOHLW-SFHVURJKSA-N 1 2 413.565 0.923 20 0 HCADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000057210086 1079871196 /nfs/dbraw/zinc/87/11/96/1079871196.db2.gz AACWTWONCXTTGK-HXUWFJFHSA-N 1 2 418.519 0.676 20 0 HCADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000057210088 1079871221 /nfs/dbraw/zinc/87/12/21/1079871221.db2.gz AACWTWONCXTTGK-FQEVSTJZSA-N 1 2 418.519 0.676 20 0 HCADLO Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2=O ZINC000057210127 1079871153 /nfs/dbraw/zinc/87/11/53/1079871153.db2.gz GOLUHSZELRVNDG-HXUWFJFHSA-N 1 2 403.504 0.915 20 0 HCADLO Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2=O ZINC000057210129 1079871255 /nfs/dbraw/zinc/87/12/55/1079871255.db2.gz GOLUHSZELRVNDG-FQEVSTJZSA-N 1 2 403.504 0.915 20 0 HCADLO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057210151 1079871300 /nfs/dbraw/zinc/87/13/00/1079871300.db2.gz IFDYAIGKMACGQW-HXUWFJFHSA-N 1 2 418.519 0.816 20 0 HCADLO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057210153 1079871231 /nfs/dbraw/zinc/87/12/31/1079871231.db2.gz IFDYAIGKMACGQW-FQEVSTJZSA-N 1 2 418.519 0.816 20 0 HCADLO CCS(=O)(=O)N1CCC(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000057210160 1079871336 /nfs/dbraw/zinc/87/13/36/1079871336.db2.gz NGAXKUCJNYFPGL-QGZVFWFLSA-N 1 2 405.586 0.372 20 0 HCADLO CCS(=O)(=O)N1CCC(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000057210161 1079871208 /nfs/dbraw/zinc/87/12/08/1079871208.db2.gz NGAXKUCJNYFPGL-KRWDZBQOSA-N 1 2 405.586 0.372 20 0 HCADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057210460 1079871752 /nfs/dbraw/zinc/87/17/52/1079871752.db2.gz AUUDTGGSFLHQSI-XJKSGUPXSA-N 1 2 419.594 0.739 20 0 HCADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057210462 1079871920 /nfs/dbraw/zinc/87/19/20/1079871920.db2.gz AUUDTGGSFLHQSI-CZUORRHYSA-N 1 2 419.594 0.739 20 0 HCADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057210464 1079871819 /nfs/dbraw/zinc/87/18/19/1079871819.db2.gz AUUDTGGSFLHQSI-BBRMVZONSA-N 1 2 419.594 0.739 20 0 HCADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057210466 1079871830 /nfs/dbraw/zinc/87/18/30/1079871830.db2.gz AUUDTGGSFLHQSI-CJNGLKHVSA-N 1 2 419.594 0.739 20 0 HCADLO NS(=O)(=O)c1ccc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000057210573 1079871782 /nfs/dbraw/zinc/87/17/82/1079871782.db2.gz FZDOZYZWJRDJLG-OAHLLOKOSA-N 1 2 405.567 0.262 20 0 HCADLO NS(=O)(=O)c1ccc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000057210575 1079871858 /nfs/dbraw/zinc/87/18/58/1079871858.db2.gz FZDOZYZWJRDJLG-HNNXBMFYSA-N 1 2 405.567 0.262 20 0 HCADLO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000057250158 1080302076 /nfs/dbraw/zinc/30/20/76/1080302076.db2.gz FIDXORHOVUZMMP-UHFFFAOYSA-N 1 2 406.508 0.995 20 0 HCADLO CN(CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ncnc2[nH]cnc21 ZINC000057261716 1079873065 /nfs/dbraw/zinc/87/30/65/1079873065.db2.gz WSWBPWTYSCGRKT-OAHLLOKOSA-N 1 2 408.466 0.878 20 0 HCADLO CN(CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ncnc2[nH]cnc21 ZINC000057261716 1079873059 /nfs/dbraw/zinc/87/30/59/1079873059.db2.gz WSWBPWTYSCGRKT-OAHLLOKOSA-N 1 2 408.466 0.878 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cn1 ZINC000057274092 1079874198 /nfs/dbraw/zinc/87/41/98/1079874198.db2.gz OWNXTNIDGZWTLT-UHFFFAOYSA-N 1 2 406.512 0.085 20 0 HCADLO CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000057278142 1079874704 /nfs/dbraw/zinc/87/47/04/1079874704.db2.gz WSDYLBPGWOQLAO-UHFFFAOYSA-N 1 2 412.494 0.806 20 0 HCADLO Cc1cccc(C(=O)NCCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000057322726 1079877468 /nfs/dbraw/zinc/87/74/68/1079877468.db2.gz DUZSHRKCPWTZJV-UHFFFAOYSA-N 1 2 411.510 0.636 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000057338838 1080083220 /nfs/dbraw/zinc/08/32/20/1080083220.db2.gz CVQRNKKESPISKJ-HNNXBMFYSA-N 1 2 413.519 0.086 20 0 HCADLO CCOCCO[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000057474647 1080320985 /nfs/dbraw/zinc/32/09/85/1080320985.db2.gz OKNMKYCKSIZZAM-INIZCTEOSA-N 1 2 414.528 0.091 20 0 HCADLO CCOCCO[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000057474648 1080321050 /nfs/dbraw/zinc/32/10/50/1080321050.db2.gz OKNMKYCKSIZZAM-MRXNPFEDSA-N 1 2 414.528 0.091 20 0 HCADLO CN(Cc1ccccn1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000057484283 1079879748 /nfs/dbraw/zinc/87/97/48/1079879748.db2.gz JFCSODFOBAFBLM-UHFFFAOYSA-N 1 2 418.523 0.770 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000057564827 1079880241 /nfs/dbraw/zinc/88/02/41/1079880241.db2.gz YTCVPYGXTFJOMX-INIZCTEOSA-N 1 2 421.523 0.933 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000057564831 1079880157 /nfs/dbraw/zinc/88/01/57/1079880157.db2.gz YTCVPYGXTFJOMX-MRXNPFEDSA-N 1 2 421.523 0.933 20 0 HCADLO Cc1csc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000057618442 1079880704 /nfs/dbraw/zinc/88/07/04/1079880704.db2.gz FPQIQUSYEGHABA-UHFFFAOYSA-N 1 2 424.552 0.798 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000057699006 1079881208 /nfs/dbraw/zinc/88/12/08/1079881208.db2.gz INPREBSVWVXDAH-UHFFFAOYSA-N 1 2 411.528 0.328 20 0 HCADLO COc1ncccc1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000057726728 1079881224 /nfs/dbraw/zinc/88/12/24/1079881224.db2.gz GIFFBPXUVDWZFS-UHFFFAOYSA-N 1 2 420.495 0.759 20 0 HCADLO O=C(NCCc1cccnc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000057856391 1079882180 /nfs/dbraw/zinc/88/21/80/1079882180.db2.gz OXFZYGLPUDYNSC-UHFFFAOYSA-N 1 2 418.523 0.470 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000057884762 1079882262 /nfs/dbraw/zinc/88/22/62/1079882262.db2.gz PFQCXXLCHSGJSN-ZDUSSCGKSA-N 1 2 404.920 0.638 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000057884767 1079882334 /nfs/dbraw/zinc/88/23/34/1079882334.db2.gz PFQCXXLCHSGJSN-CYBMUJFWSA-N 1 2 404.920 0.638 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000057921209 1079882778 /nfs/dbraw/zinc/88/27/78/1079882778.db2.gz CXFQWWHGIOGYAS-UHFFFAOYSA-N 1 2 419.445 0.886 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1Cc2ccccc2O1 ZINC000058229950 1079884307 /nfs/dbraw/zinc/88/43/07/1079884307.db2.gz HRDBPYVKAKJMCP-GOSISDBHSA-N 1 2 416.503 0.653 20 0 HCADLO NC(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000058230075 1079884239 /nfs/dbraw/zinc/88/42/39/1079884239.db2.gz CUCYZNYMAJCOQR-UHFFFAOYSA-N 1 2 417.491 0.062 20 0 HCADLO CC(=O)c1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n(C)c1 ZINC000058230116 1079884229 /nfs/dbraw/zinc/88/42/29/1079884229.db2.gz TWXKAJFFMVYEEE-UHFFFAOYSA-N 1 2 419.507 0.505 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc2n[nH]cc21 ZINC000058230130 1079884246 /nfs/dbraw/zinc/88/42/46/1079884246.db2.gz WQOVZRWHZFODGJ-UHFFFAOYSA-N 1 2 414.491 0.840 20 0 HCADLO CN(C)c1ncccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000058230164 1079884326 /nfs/dbraw/zinc/88/43/26/1079884326.db2.gz FSWFDHIMOOISLT-UHFFFAOYSA-N 1 2 418.523 0.424 20 0 HCADLO Cc1noc([C@H]2CCCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)n1 ZINC000058235352 1079884320 /nfs/dbraw/zinc/88/43/20/1079884320.db2.gz XZEIYRKOHYUFNA-INIZCTEOSA-N 1 2 400.487 0.879 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000058296565 1079885305 /nfs/dbraw/zinc/88/53/05/1079885305.db2.gz ZRFMKVCZJBZHFQ-CQSZACIVSA-N 1 2 408.480 0.918 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000058297187 1079885221 /nfs/dbraw/zinc/88/52/21/1079885221.db2.gz UUXRNBKZOOTLKP-KGLIPLIRSA-N 1 2 408.480 0.916 20 0 HCADLO CS(=O)(=O)Cc1ccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000058459978 1079886789 /nfs/dbraw/zinc/88/67/89/1079886789.db2.gz MBUIJZSRPSAFOW-UHFFFAOYSA-N 1 2 418.523 0.965 20 0 HCADLO Cc1noc(CN2CCN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CC2)n1 ZINC000058469547 1079887222 /nfs/dbraw/zinc/88/72/22/1079887222.db2.gz XWJVTYHBJGMIOF-UHFFFAOYSA-N 1 2 414.510 0.967 20 0 HCADLO Cc1ccc2c(c1)C(=O)N(CC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)C2=O ZINC000058479496 1079887559 /nfs/dbraw/zinc/88/75/59/1079887559.db2.gz QVDWVROMNOCFFB-UHFFFAOYSA-N 1 2 408.462 0.319 20 0 HCADLO Cc1ccc(CNC(=O)NCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000058479605 1079887497 /nfs/dbraw/zinc/88/74/97/1079887497.db2.gz ACGNOQYADMWXNE-UHFFFAOYSA-N 1 2 411.510 0.523 20 0 HCADLO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCC[NH+]1CCN(c3ncccn3)CC1)C2=O ZINC000058479632 1079887661 /nfs/dbraw/zinc/88/76/61/1079887661.db2.gz BZDKPDYGGSBJHU-MRXNPFEDSA-N 1 2 422.489 0.708 20 0 HCADLO CCN(CC)C(=O)C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000058570493 1079889047 /nfs/dbraw/zinc/88/90/47/1079889047.db2.gz NBGBIQWKGHDWHS-UHFFFAOYSA-N 1 2 417.558 0.889 20 0 HCADLO O=C(CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)NCCc1ccccc1 ZINC000058570585 1079889031 /nfs/dbraw/zinc/88/90/31/1079889031.db2.gz XOBTZZSAEMWSNC-UHFFFAOYSA-N 1 2 411.510 0.257 20 0 HCADLO O=C(CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)NCCc1ccccc1 ZINC000058572404 1079889096 /nfs/dbraw/zinc/88/90/96/1079889096.db2.gz BGQBTDICIWXYNJ-FQEVSTJZSA-N 1 2 406.552 0.852 20 0 HCADLO COCCCCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000058578856 1079889117 /nfs/dbraw/zinc/88/91/17/1079889117.db2.gz STPZDYRESIHEER-UHFFFAOYSA-N 1 2 413.544 0.649 20 0 HCADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000058579665 1079889059 /nfs/dbraw/zinc/88/90/59/1079889059.db2.gz GVAMBLXVEHHTGN-UHFFFAOYSA-N 1 2 421.586 0.333 20 0 HCADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000058579665 1079889057 /nfs/dbraw/zinc/88/90/57/1079889057.db2.gz GVAMBLXVEHHTGN-UHFFFAOYSA-N 1 2 421.586 0.333 20 0 HCADLO CS(=O)(=O)Cc1cccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000058650432 1079889654 /nfs/dbraw/zinc/88/96/54/1079889654.db2.gz AYSSJQFCGWWSIJ-UHFFFAOYSA-N 1 2 418.523 0.965 20 0 HCADLO CN(C1CC[NH+](CC(=O)N2CCN(Cc3cccs3)CC2)CC1)S(C)(=O)=O ZINC000058923113 1079892919 /nfs/dbraw/zinc/89/29/19/1079892919.db2.gz NHGDVTRHZRJBSZ-UHFFFAOYSA-N 1 2 414.597 0.748 20 0 HCADLO CN(C1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1)S(C)(=O)=O ZINC000058923357 1079893034 /nfs/dbraw/zinc/89/30/34/1079893034.db2.gz VGWCIJMYIDYZOU-UHFFFAOYSA-N 1 2 405.524 0.844 20 0 HCADLO CN(C1CC[NH+](CC(=O)NCc2ccccc2Cn2cccn2)CC1)S(C)(=O)=O ZINC000058923371 1079893008 /nfs/dbraw/zinc/89/30/08/1079893008.db2.gz ARTAZSFJRIVFFC-UHFFFAOYSA-N 1 2 419.551 0.903 20 0 HCADLO CN(C1CC[NH+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1)S(C)(=O)=O ZINC000058923374 1079892868 /nfs/dbraw/zinc/89/28/68/1079892868.db2.gz KTUGUZMYMLXKBT-UHFFFAOYSA-N 1 2 419.551 0.887 20 0 HCADLO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058923657 1079893320 /nfs/dbraw/zinc/89/33/20/1079893320.db2.gz RKATXXANUCHVOB-GOEBONIOSA-N 1 2 411.524 0.687 20 0 HCADLO CN(C1CC[NH+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1)S(C)(=O)=O ZINC000058925033 1079893297 /nfs/dbraw/zinc/89/32/97/1079893297.db2.gz YFJNLVJBSQQQEK-UHFFFAOYSA-N 1 2 414.597 0.748 20 0 HCADLO CN(C1CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1)S(C)(=O)=O ZINC000058925122 1079893335 /nfs/dbraw/zinc/89/33/35/1079893335.db2.gz OULFSGPOPVAFOW-UHFFFAOYSA-N 1 2 402.561 0.251 20 0 HCADLO CN(C1CC[NH+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1)S(C)(=O)=O ZINC000058925281 1079893269 /nfs/dbraw/zinc/89/32/69/1079893269.db2.gz SULZOFRBHZJWCM-QGZVFWFLSA-N 1 2 408.568 0.985 20 0 HCADLO COCCOc1cccc(CNC(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000058925417 1079893286 /nfs/dbraw/zinc/89/32/86/1079893286.db2.gz WDFUOULTCVYNTF-UHFFFAOYSA-N 1 2 413.540 0.684 20 0 HCADLO COCCOc1ccc(CNC(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000058925433 1079893302 /nfs/dbraw/zinc/89/33/02/1079893302.db2.gz QJPBYMLQWCAWAZ-UHFFFAOYSA-N 1 2 413.540 0.684 20 0 HCADLO CN(C1CC[NH+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1)S(C)(=O)=O ZINC000058925660 1079893275 /nfs/dbraw/zinc/89/32/75/1079893275.db2.gz GZMMAVHRMNLPOH-UHFFFAOYSA-N 1 2 413.496 0.266 20 0 HCADLO CN(C1CC[NH+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1)S(C)(=O)=O ZINC000058925735 1079893283 /nfs/dbraw/zinc/89/32/83/1079893283.db2.gz CSXVPZZJPRFGJF-UHFFFAOYSA-N 1 2 422.551 0.551 20 0 HCADLO CCN(CC)C(=O)C1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000058956377 1079893851 /nfs/dbraw/zinc/89/38/51/1079893851.db2.gz RFSKWUZTOVBMHA-UHFFFAOYSA-N 1 2 407.515 0.538 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C ZINC000058957472 1079893934 /nfs/dbraw/zinc/89/39/34/1079893934.db2.gz KNKGOQRFIKXKKV-UHFFFAOYSA-N 1 2 400.439 0.113 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000060318979 1079896824 /nfs/dbraw/zinc/89/68/24/1079896824.db2.gz DZHIZYVNFNYTCO-UHFFFAOYSA-N 1 2 424.457 0.857 20 0 HCADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1 ZINC000060357359 1079897963 /nfs/dbraw/zinc/89/79/63/1079897963.db2.gz PTJYVUAVMFMBMR-UHFFFAOYSA-N 1 2 403.888 0.615 20 0 HCADLO C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000060377360 1079898419 /nfs/dbraw/zinc/89/84/19/1079898419.db2.gz CXSYMZMOKLPJET-LLVKDONJSA-N 1 2 402.904 0.739 20 0 HCADLO C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000060377360 1079898415 /nfs/dbraw/zinc/89/84/15/1079898415.db2.gz CXSYMZMOKLPJET-LLVKDONJSA-N 1 2 402.904 0.739 20 0 HCADLO C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000060377361 1079898363 /nfs/dbraw/zinc/89/83/63/1079898363.db2.gz CXSYMZMOKLPJET-NSHDSACASA-N 1 2 402.904 0.739 20 0 HCADLO C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000060377361 1079898362 /nfs/dbraw/zinc/89/83/62/1079898362.db2.gz CXSYMZMOKLPJET-NSHDSACASA-N 1 2 402.904 0.739 20 0 HCADLO CCC[C@]1(C)NC(=O)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000060429620 1079898796 /nfs/dbraw/zinc/89/87/96/1079898796.db2.gz XSTCOXWGLYLBGV-IBGZPJMESA-N 1 2 414.470 0.123 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1C ZINC000060473155 1079899410 /nfs/dbraw/zinc/89/94/10/1079899410.db2.gz JTKZGLDNASULCI-QGZVFWFLSA-N 1 2 404.511 0.846 20 0 HCADLO CS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000060479941 1079899336 /nfs/dbraw/zinc/89/93/36/1079899336.db2.gz GLSOJUWOJRQMJW-INIZCTEOSA-N 1 2 409.508 0.350 20 0 HCADLO CC(=O)NCC(=O)NCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000060581063 1079900281 /nfs/dbraw/zinc/90/02/81/1079900281.db2.gz VAECSKZCVDSPOH-UHFFFAOYSA-N 1 2 401.492 0.892 20 0 HCADLO CC(=O)NCC(=O)NCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000060581063 1079900277 /nfs/dbraw/zinc/90/02/77/1079900277.db2.gz VAECSKZCVDSPOH-UHFFFAOYSA-N 1 2 401.492 0.892 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1)[NH+]1CCOCC1 ZINC000060606811 1079901108 /nfs/dbraw/zinc/90/11/08/1079901108.db2.gz PKZKXRHUONCWBH-KRWDZBQOSA-N 1 2 411.524 0.643 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O)[NH+]1CCOCC1 ZINC000060606821 1079901074 /nfs/dbraw/zinc/90/10/74/1079901074.db2.gz LYYYKQKNXHGPEX-KRWDZBQOSA-N 1 2 411.524 0.643 20 0 HCADLO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000060616412 1079900917 /nfs/dbraw/zinc/90/09/17/1079900917.db2.gz XTFAPUCXKUNBHE-UHFFFAOYSA-N 1 2 409.490 0.971 20 0 HCADLO CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000060620850 1079901624 /nfs/dbraw/zinc/90/16/24/1079901624.db2.gz GFDGQDFOLLPNKH-UHFFFAOYSA-N 1 2 402.476 0.914 20 0 HCADLO CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000060620855 1079901386 /nfs/dbraw/zinc/90/13/86/1079901386.db2.gz HHYSWAQLVWAMFL-UHFFFAOYSA-N 1 2 402.476 0.914 20 0 HCADLO CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000060620861 1079901481 /nfs/dbraw/zinc/90/14/81/1079901481.db2.gz OVNGFQYQRZLIBP-UHFFFAOYSA-N 1 2 402.476 0.914 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2C)CC1 ZINC000060631070 1079902084 /nfs/dbraw/zinc/90/20/84/1079902084.db2.gz NAXHFMTVDPJFFF-UHFFFAOYSA-N 1 2 417.510 0.435 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2C)CC1 ZINC000060631070 1079902082 /nfs/dbraw/zinc/90/20/82/1079902082.db2.gz NAXHFMTVDPJFFF-UHFFFAOYSA-N 1 2 417.510 0.435 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)NC3CCCCC3)c2)CC1 ZINC000060724454 1079904795 /nfs/dbraw/zinc/90/47/95/1079904795.db2.gz BAZAFVCAUURUGD-UHFFFAOYSA-N 1 2 415.538 0.938 20 0 HCADLO NC(=O)C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 ZINC000060755137 1080388788 /nfs/dbraw/zinc/38/87/88/1080388788.db2.gz AHMVIEWRMSOVIA-UHFFFAOYSA-N 1 2 424.523 0.376 20 0 HCADLO NC(=O)C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 ZINC000060755137 1080388780 /nfs/dbraw/zinc/38/87/80/1080388780.db2.gz AHMVIEWRMSOVIA-UHFFFAOYSA-N 1 2 424.523 0.376 20 0 HCADLO NC(=O)C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 ZINC000060755144 1077807569 /nfs/dbraw/zinc/80/75/69/1077807569.db2.gz JPCSPJJVLNUXRP-UHFFFAOYSA-N 1 2 424.523 0.376 20 0 HCADLO NC(=O)C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 ZINC000060755144 1077807567 /nfs/dbraw/zinc/80/75/67/1077807567.db2.gz JPCSPJJVLNUXRP-UHFFFAOYSA-N 1 2 424.523 0.376 20 0 HCADLO O=C(CCn1cc[nH+]c1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000060793176 1079905354 /nfs/dbraw/zinc/90/53/54/1079905354.db2.gz GQNUGHJCVBZSNE-UHFFFAOYSA-N 1 2 406.493 0.811 20 0 HCADLO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000060798580 1073423883 /nfs/dbraw/zinc/42/38/83/1073423883.db2.gz IMJBMYVAUPJTRY-HNNXBMFYSA-N 1 2 408.503 0.946 20 0 HCADLO COC(=O)c1cn(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)nn1 ZINC000060858048 1073444158 /nfs/dbraw/zinc/44/41/58/1073444158.db2.gz XOOUUVPPNVUWDP-CYBMUJFWSA-N 1 2 410.475 0.375 20 0 HCADLO COC(=O)c1cn(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)nn1 ZINC000060858048 1073444145 /nfs/dbraw/zinc/44/41/45/1073444145.db2.gz XOOUUVPPNVUWDP-CYBMUJFWSA-N 1 2 410.475 0.375 20 0 HCADLO COC(=O)c1ncn(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)n1 ZINC000060858052 1073444067 /nfs/dbraw/zinc/44/40/67/1073444067.db2.gz MLUIPYVARHOSRN-ZDUSSCGKSA-N 1 2 410.475 0.375 20 0 HCADLO COC(=O)c1ncn(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)n1 ZINC000060858052 1073444054 /nfs/dbraw/zinc/44/40/54/1073444054.db2.gz MLUIPYVARHOSRN-ZDUSSCGKSA-N 1 2 410.475 0.375 20 0 HCADLO O=S(=O)(c1ccc(OCC[NH+]2CCN(CC(F)F)CC2)cc1)N1CCOCC1 ZINC000060907027 1079907276 /nfs/dbraw/zinc/90/72/76/1079907276.db2.gz PILJCMRSLSUWFQ-UHFFFAOYSA-N 1 2 419.494 0.969 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000060982190 1073482118 /nfs/dbraw/zinc/48/21/18/1073482118.db2.gz PGSNPIVETHMGQY-UHFFFAOYSA-N 1 2 423.516 0.897 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000060990345 1079907893 /nfs/dbraw/zinc/90/78/93/1079907893.db2.gz XZQKGEAMMNTSRM-CQSZACIVSA-N 1 2 401.437 0.534 20 0 HCADLO CCn1c(N)c(C(=O)CN2CC[NH+](CCOc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000060994116 1079907735 /nfs/dbraw/zinc/90/77/35/1079907735.db2.gz LLKYOVVNZFHCKD-UHFFFAOYSA-N 1 2 401.467 0.018 20 0 HCADLO CC1(C)NC(=O)N(CCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000061024159 1073489999 /nfs/dbraw/zinc/48/99/99/1073489999.db2.gz ZIRNKLHWRYMJME-UHFFFAOYSA-N 1 2 422.507 0.656 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)NCCN2CCCS2(=O)=O)CC1)Nc1ccccc1 ZINC000061039578 1079908998 /nfs/dbraw/zinc/90/89/98/1079908998.db2.gz YGRSETQWDQBGNC-UHFFFAOYSA-N 1 2 423.539 0.424 20 0 HCADLO CN1N=C(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCC1=O ZINC000061060431 1073506262 /nfs/dbraw/zinc/50/62/62/1073506262.db2.gz HYTVIWSBKUXMOE-UHFFFAOYSA-N 1 2 414.462 0.417 20 0 HCADLO CCCC(=O)NCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000061194042 1073587681 /nfs/dbraw/zinc/58/76/81/1073587681.db2.gz TWZYLIBPEIHWHH-UHFFFAOYSA-N 1 2 403.479 0.725 20 0 HCADLO O=C(CNC(=O)C1CC1)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000061201321 1073589457 /nfs/dbraw/zinc/58/94/57/1073589457.db2.gz BGOHGAILVBKUON-UHFFFAOYSA-N 1 2 401.463 0.335 20 0 HCADLO CCOC(=O)NCCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000061202215 1073589639 /nfs/dbraw/zinc/58/96/39/1073589639.db2.gz UPGNDLXSTOYZPW-UHFFFAOYSA-N 1 2 419.478 0.945 20 0 HCADLO COc1ccc(COC[C@@H](O)C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1OC ZINC000061304953 1079911867 /nfs/dbraw/zinc/91/18/67/1079911867.db2.gz DIKAIUOXTFSHME-KRWDZBQOSA-N 1 2 421.494 0.004 20 0 HCADLO COc1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000061310409 1079911902 /nfs/dbraw/zinc/91/19/02/1079911902.db2.gz OPDMZCHRQGXQPE-UHFFFAOYSA-N 1 2 420.495 0.759 20 0 HCADLO CCCCn1c(N)c(N(CC)C(=O)CSc2nc(N)cc(C)[nH+]2)c(=O)[nH]c1=O ZINC000061355448 1079911634 /nfs/dbraw/zinc/91/16/34/1079911634.db2.gz HSEYKHNOULHLCK-UHFFFAOYSA-N 1 2 407.500 0.745 20 0 HCADLO Cn1c(=O)c2cc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)cnc2n(C)c1=O ZINC000061377555 1079911816 /nfs/dbraw/zinc/91/18/16/1079911816.db2.gz HUYLVAQADFQUSH-UHFFFAOYSA-N 1 2 409.450 0.818 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000061619267 1079915783 /nfs/dbraw/zinc/91/57/83/1079915783.db2.gz YNAXKTXBBHDERP-KRWDZBQOSA-N 1 2 414.553 0.924 20 0 HCADLO COc1ccc(CCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000061620771 1079915813 /nfs/dbraw/zinc/91/58/13/1079915813.db2.gz ZJYLCDZRUMQNRD-UHFFFAOYSA-N 1 2 424.567 0.654 20 0 HCADLO Cc1cc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)on1 ZINC000061864692 1079917215 /nfs/dbraw/zinc/91/72/15/1079917215.db2.gz NQVHSIWMXUSMOU-UHFFFAOYSA-N 1 2 408.484 0.329 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000061987129 1079919026 /nfs/dbraw/zinc/91/90/26/1079919026.db2.gz VOXHETYENUGODX-MRXNPFEDSA-N 1 2 421.527 0.118 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)[NH+]1CCOCC1 ZINC000062009856 1079918967 /nfs/dbraw/zinc/91/89/67/1079918967.db2.gz PBERGYGAVYVDNX-GOSISDBHSA-N 1 2 420.510 0.565 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000062196477 1079920853 /nfs/dbraw/zinc/92/08/53/1079920853.db2.gz CJIJWCLQHUUHGB-UHFFFAOYSA-N 1 2 420.477 0.539 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000062196491 1077326447 /nfs/dbraw/zinc/32/64/47/1077326447.db2.gz FXSJCJJKEQFPMR-UHFFFAOYSA-N 1 2 420.477 0.539 20 0 HCADLO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000062207548 1074006780 /nfs/dbraw/zinc/00/67/80/1074006780.db2.gz BPDMKYQKJRDOAA-UHFFFAOYSA-N 1 2 422.489 0.742 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCc2ccc(O)cc2)CC1 ZINC000062430413 1074081096 /nfs/dbraw/zinc/08/10/96/1074081096.db2.gz CWLGNJHYXVSVJJ-UHFFFAOYSA-N 1 2 424.461 0.894 20 0 HCADLO CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000062474564 1074145431 /nfs/dbraw/zinc/14/54/31/1074145431.db2.gz WNYFYSFGZATSRY-UHFFFAOYSA-N 1 2 413.563 0.949 20 0 HCADLO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000062631087 1079923585 /nfs/dbraw/zinc/92/35/85/1079923585.db2.gz HSNUPTVNLUHCSS-HZPDHXFCSA-N 1 2 403.527 0.792 20 0 HCADLO O=C(CCc1ccccn1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000062879790 1079924785 /nfs/dbraw/zinc/92/47/85/1079924785.db2.gz YTOSNQQFEAZDBA-UHFFFAOYSA-N 1 2 403.508 0.677 20 0 HCADLO CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000063294573 1079930957 /nfs/dbraw/zinc/93/09/57/1079930957.db2.gz VOTCMUOLLJGYNR-KRWDZBQOSA-N 1 2 402.543 1.000 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COc2cc3c(cc2C=O)OCO3)CC1 ZINC000063431345 1074363749 /nfs/dbraw/zinc/36/37/49/1074363749.db2.gz AVXGUPWMKZTFND-UHFFFAOYSA-N 1 2 424.417 0.632 20 0 HCADLO CNC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000063431971 1079934076 /nfs/dbraw/zinc/93/40/76/1079934076.db2.gz HNTNIIWUOQTNHW-UHFFFAOYSA-N 1 2 415.538 0.794 20 0 HCADLO CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000063467424 1074371501 /nfs/dbraw/zinc/37/15/01/1074371501.db2.gz KHFHPAUQTMBRCG-UHFFFAOYSA-N 1 2 411.524 0.659 20 0 HCADLO CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000063467424 1074371492 /nfs/dbraw/zinc/37/14/92/1074371492.db2.gz KHFHPAUQTMBRCG-UHFFFAOYSA-N 1 2 411.524 0.659 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000063467507 1074371844 /nfs/dbraw/zinc/37/18/44/1074371844.db2.gz LIVYQFSTYFDAGH-UHFFFAOYSA-N 1 2 423.518 0.039 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 ZINC000063467537 1074372010 /nfs/dbraw/zinc/37/20/10/1074372010.db2.gz VUCVGFXYVZBXCU-IBGZPJMESA-N 1 2 409.490 0.442 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 ZINC000063467537 1074372004 /nfs/dbraw/zinc/37/20/04/1074372004.db2.gz VUCVGFXYVZBXCU-IBGZPJMESA-N 1 2 409.490 0.442 20 0 HCADLO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC2)no1 ZINC000063483787 1079935879 /nfs/dbraw/zinc/93/58/79/1079935879.db2.gz BDDDKUPMRZVZBR-OAHLLOKOSA-N 1 2 418.450 0.708 20 0 HCADLO CCN(CC)C(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000063497432 1074377909 /nfs/dbraw/zinc/37/79/09/1074377909.db2.gz BQROQHMYRMMYJY-UHFFFAOYSA-N 1 2 422.530 0.742 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](CC(N)=O)C3CCCC3)C2=O)cc1 ZINC000063504393 1074378554 /nfs/dbraw/zinc/37/85/54/1074378554.db2.gz GTQUSAVNDWKLFT-FQEVSTJZSA-N 1 2 417.466 0.223 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](CC(N)=O)C3CCCC3)C2=O)cc1 ZINC000063504393 1074378544 /nfs/dbraw/zinc/37/85/44/1074378544.db2.gz GTQUSAVNDWKLFT-FQEVSTJZSA-N 1 2 417.466 0.223 20 0 HCADLO C/C(=C/C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000063538096 1074381389 /nfs/dbraw/zinc/38/13/89/1074381389.db2.gz UPVCPBPUDSMDAQ-NXVVXOECSA-N 1 2 410.515 0.865 20 0 HCADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC000063626802 1074398355 /nfs/dbraw/zinc/39/83/55/1074398355.db2.gz FMVKCMKYQXGNKT-GFCCVEGCSA-N 1 2 409.487 0.558 20 0 HCADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC000063626802 1074398344 /nfs/dbraw/zinc/39/83/44/1074398344.db2.gz FMVKCMKYQXGNKT-GFCCVEGCSA-N 1 2 409.487 0.558 20 0 HCADLO COc1ccc(S(=O)(=O)NCCC(=O)NCCNc2cccc[nH+]2)cc1OC ZINC000063706726 1079940459 /nfs/dbraw/zinc/94/04/59/1079940459.db2.gz ROAXAAKVBOANAI-UHFFFAOYSA-N 1 2 408.480 0.996 20 0 HCADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000063759164 1074440130 /nfs/dbraw/zinc/44/01/30/1074440130.db2.gz SJCZFMHQKKIBHE-JTQLQIEISA-N 1 2 417.329 0.649 20 0 HCADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000063759164 1074440120 /nfs/dbraw/zinc/44/01/20/1074440120.db2.gz SJCZFMHQKKIBHE-JTQLQIEISA-N 1 2 417.329 0.649 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000063759309 1074440232 /nfs/dbraw/zinc/44/02/32/1074440232.db2.gz XNADCZKNSRIGOM-GOSISDBHSA-N 1 2 416.522 0.714 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000063759309 1074440223 /nfs/dbraw/zinc/44/02/23/1074440223.db2.gz XNADCZKNSRIGOM-GOSISDBHSA-N 1 2 416.522 0.714 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 ZINC000063759424 1074440103 /nfs/dbraw/zinc/44/01/03/1074440103.db2.gz XSYZABYZRRHFBF-KRWDZBQOSA-N 1 2 404.486 0.626 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 ZINC000063759424 1074440095 /nfs/dbraw/zinc/44/00/95/1074440095.db2.gz XSYZABYZRRHFBF-KRWDZBQOSA-N 1 2 404.486 0.626 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000063759503 1074440504 /nfs/dbraw/zinc/44/05/04/1074440504.db2.gz SUFHTLGAMAZRII-INIZCTEOSA-N 1 2 408.524 0.107 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000063759503 1074440497 /nfs/dbraw/zinc/44/04/97/1074440497.db2.gz SUFHTLGAMAZRII-INIZCTEOSA-N 1 2 408.524 0.107 20 0 HCADLO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(OC)c1 ZINC000063759504 1074440409 /nfs/dbraw/zinc/44/04/09/1074440409.db2.gz JOEUUYUYCPDVOA-KRWDZBQOSA-N 1 2 418.494 0.328 20 0 HCADLO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCC[N@H+](CC(N)=O)CC2)c(OC)c1 ZINC000063759504 1074440404 /nfs/dbraw/zinc/44/04/04/1074440404.db2.gz JOEUUYUYCPDVOA-KRWDZBQOSA-N 1 2 418.494 0.328 20 0 HCADLO CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000063759509 1074440482 /nfs/dbraw/zinc/44/04/82/1074440482.db2.gz GURATEWQQZCDGY-IBGZPJMESA-N 1 2 413.522 0.871 20 0 HCADLO CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000063759509 1074440472 /nfs/dbraw/zinc/44/04/72/1074440472.db2.gz GURATEWQQZCDGY-IBGZPJMESA-N 1 2 413.522 0.871 20 0 HCADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000063759540 1074440190 /nfs/dbraw/zinc/44/01/90/1074440190.db2.gz KACCBXIZGQNLSM-INIZCTEOSA-N 1 2 422.913 0.973 20 0 HCADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000063759540 1074440184 /nfs/dbraw/zinc/44/01/84/1074440184.db2.gz KACCBXIZGQNLSM-INIZCTEOSA-N 1 2 422.913 0.973 20 0 HCADLO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000063759607 1074440449 /nfs/dbraw/zinc/44/04/49/1074440449.db2.gz RELXRYWUNXPPSI-OAQYLSRUSA-N 1 2 413.478 0.005 20 0 HCADLO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000063759607 1074440442 /nfs/dbraw/zinc/44/04/42/1074440442.db2.gz RELXRYWUNXPPSI-OAQYLSRUSA-N 1 2 413.478 0.005 20 0 HCADLO CC[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000063759671 1074440285 /nfs/dbraw/zinc/44/02/85/1074440285.db2.gz FOCKFXWMCJUCPA-HNNXBMFYSA-N 1 2 405.890 0.964 20 0 HCADLO CC[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000063759671 1074440282 /nfs/dbraw/zinc/44/02/82/1074440282.db2.gz FOCKFXWMCJUCPA-HNNXBMFYSA-N 1 2 405.890 0.964 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000063759689 1074440661 /nfs/dbraw/zinc/44/06/61/1074440661.db2.gz DGJUVNVOLUFZPH-JXAWBTAJSA-N 1 2 421.461 0.951 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000063759689 1074440642 /nfs/dbraw/zinc/44/06/42/1074440642.db2.gz DGJUVNVOLUFZPH-JXAWBTAJSA-N 1 2 421.461 0.951 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000063759798 1074440267 /nfs/dbraw/zinc/44/02/67/1074440267.db2.gz IBDMWUNHAKCRGY-UHFFFAOYSA-N 1 2 402.904 0.028 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000063759798 1074440259 /nfs/dbraw/zinc/44/02/59/1074440259.db2.gz IBDMWUNHAKCRGY-UHFFFAOYSA-N 1 2 402.904 0.028 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000063759851 1074440378 /nfs/dbraw/zinc/44/03/78/1074440378.db2.gz TXQOLANHIJNVAL-UHFFFAOYSA-N 1 2 424.567 0.669 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000063759851 1074440371 /nfs/dbraw/zinc/44/03/71/1074440371.db2.gz TXQOLANHIJNVAL-UHFFFAOYSA-N 1 2 424.567 0.669 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000063759910 1074441261 /nfs/dbraw/zinc/44/12/61/1074441261.db2.gz YICUHAIQRCWFHL-LBPRGKRZSA-N 1 2 402.904 0.026 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000063759910 1074441258 /nfs/dbraw/zinc/44/12/58/1074441258.db2.gz YICUHAIQRCWFHL-LBPRGKRZSA-N 1 2 402.904 0.026 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000063759914 1074441464 /nfs/dbraw/zinc/44/14/64/1074441464.db2.gz QADMRHVCFNTLME-UHFFFAOYSA-N 1 2 423.267 0.065 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000063759914 1074441454 /nfs/dbraw/zinc/44/14/54/1074441454.db2.gz QADMRHVCFNTLME-UHFFFAOYSA-N 1 2 423.267 0.065 20 0 HCADLO CN(CCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000063759954 1074441186 /nfs/dbraw/zinc/44/11/86/1074441186.db2.gz MXIUQCMSMMBFSW-UHFFFAOYSA-N 1 2 414.503 0.246 20 0 HCADLO CN(CCCC(=O)N1CCC[N@H+](CC(N)=O)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000063759954 1074441177 /nfs/dbraw/zinc/44/11/77/1074441177.db2.gz MXIUQCMSMMBFSW-UHFFFAOYSA-N 1 2 414.503 0.246 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000063760093 1074441273 /nfs/dbraw/zinc/44/12/73/1074441273.db2.gz GNSVHQTXCNBXIM-KRWDZBQOSA-N 1 2 408.524 0.168 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000063760093 1074441271 /nfs/dbraw/zinc/44/12/71/1074441271.db2.gz GNSVHQTXCNBXIM-KRWDZBQOSA-N 1 2 408.524 0.168 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000063760103 1074441432 /nfs/dbraw/zinc/44/14/32/1074441432.db2.gz OCXXIQJFNRTSBM-QGZVFWFLSA-N 1 2 408.524 0.249 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000063760103 1074441422 /nfs/dbraw/zinc/44/14/22/1074441422.db2.gz OCXXIQJFNRTSBM-QGZVFWFLSA-N 1 2 408.524 0.249 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(I)cc2)CC1 ZINC000063760213 1074441507 /nfs/dbraw/zinc/44/15/07/1074441507.db2.gz BFLBOJWJVMSEMJ-UHFFFAOYSA-N 1 2 417.247 0.690 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(I)cc2)CC1 ZINC000063760213 1074441498 /nfs/dbraw/zinc/44/14/98/1074441498.db2.gz BFLBOJWJVMSEMJ-UHFFFAOYSA-N 1 2 417.247 0.690 20 0 HCADLO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)C2=O ZINC000063760227 1074441241 /nfs/dbraw/zinc/44/12/41/1074441241.db2.gz FYBPOAQFVJWSBZ-XOBRGWDASA-N 1 2 407.515 0.143 20 0 HCADLO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCC[N@H+](CC(N)=O)CC1)C2=O ZINC000063760227 1074441235 /nfs/dbraw/zinc/44/12/35/1074441235.db2.gz FYBPOAQFVJWSBZ-XOBRGWDASA-N 1 2 407.515 0.143 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](Cc2cccc(OC)c2)NC(C)=O)CC1 ZINC000063770192 1079942108 /nfs/dbraw/zinc/94/21/08/1079942108.db2.gz CJHXJDHWUZICMD-LJQANCHMSA-N 1 2 404.511 0.413 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](Cc2cccc(OC)c2)NC(C)=O)CC1 ZINC000063770192 1079942082 /nfs/dbraw/zinc/94/20/82/1079942082.db2.gz CJHXJDHWUZICMD-LJQANCHMSA-N 1 2 404.511 0.413 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 ZINC000063770298 1074436641 /nfs/dbraw/zinc/43/66/41/1074436641.db2.gz GWZSJLRNJVHRNS-UHFFFAOYSA-N 1 2 417.485 0.975 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 ZINC000063770298 1074436628 /nfs/dbraw/zinc/43/66/28/1074436628.db2.gz GWZSJLRNJVHRNS-UHFFFAOYSA-N 1 2 417.485 0.975 20 0 HCADLO Cc1cc(C)c(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000063798540 1079942001 /nfs/dbraw/zinc/94/20/01/1079942001.db2.gz OMSUZDKKRNPTEA-UHFFFAOYSA-N 1 2 423.583 0.931 20 0 HCADLO CC(C)Cc1nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000063809715 1079942999 /nfs/dbraw/zinc/94/29/99/1079942999.db2.gz UCKHNBMWKNEZDA-UHFFFAOYSA-N 1 2 415.585 0.592 20 0 HCADLO Cn1c2[nH]c(CCC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)nc2c(=O)[nH]c1=O ZINC000063810614 1079943976 /nfs/dbraw/zinc/94/39/76/1079943976.db2.gz QCDHSIYJNRSVQY-UHFFFAOYSA-N 1 2 411.466 0.584 20 0 HCADLO Cn1c2[nH]c(CCC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)nc2c(=O)[nH]c1=O ZINC000063812606 1079945034 /nfs/dbraw/zinc/94/50/34/1079945034.db2.gz QPZNOARRDOAFRN-UHFFFAOYSA-N 1 2 411.397 0.524 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1)[NH+]1CCOCC1 ZINC000063825566 1079945858 /nfs/dbraw/zinc/94/58/58/1079945858.db2.gz DESBFBNRPCCQAB-QGZVFWFLSA-N 1 2 411.524 0.643 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000063853991 1079946717 /nfs/dbraw/zinc/94/67/17/1079946717.db2.gz GHSXYJHOTMHULG-HNNXBMFYSA-N 1 2 424.523 0.056 20 0 HCADLO COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000063854121 1079946996 /nfs/dbraw/zinc/94/69/96/1079946996.db2.gz FJXSZXBRCCBYBY-QGZVFWFLSA-N 1 2 405.495 0.543 20 0 HCADLO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063854314 1079947186 /nfs/dbraw/zinc/94/71/86/1079947186.db2.gz RDVRGCRLMADBLM-QGZVFWFLSA-N 1 2 403.479 0.597 20 0 HCADLO CC(=O)N1CCc2cc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC000063854491 1079947090 /nfs/dbraw/zinc/94/70/90/1079947090.db2.gz HRLGWFBZZRHGTQ-QGZVFWFLSA-N 1 2 400.479 0.715 20 0 HCADLO COc1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1OC ZINC000063854520 1079947138 /nfs/dbraw/zinc/94/71/38/1079947138.db2.gz ZUPQQSJXMXAVFB-MRXNPFEDSA-N 1 2 421.494 0.509 20 0 HCADLO O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063854564 1079946935 /nfs/dbraw/zinc/94/69/35/1079946935.db2.gz OWECGTVMWSJWBC-INIZCTEOSA-N 1 2 400.479 0.933 20 0 HCADLO Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC000063854815 1079946811 /nfs/dbraw/zinc/94/68/11/1079946811.db2.gz JBIZTUKDVODIKY-LJQANCHMSA-N 1 2 400.523 0.824 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000063854886 1079946764 /nfs/dbraw/zinc/94/67/64/1079946764.db2.gz WPMBDHRFTSPWNC-SFHVURJKSA-N 1 2 406.527 0.028 20 0 HCADLO O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063854959 1079946610 /nfs/dbraw/zinc/94/66/10/1079946610.db2.gz NQKXHPANZCNKMO-LJQANCHMSA-N 1 2 411.506 0.712 20 0 HCADLO Cn1ccnc1[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000063854975 1079947757 /nfs/dbraw/zinc/94/77/57/1079947757.db2.gz BIHBIBVSSVVRMD-UYAOXDASSA-N 1 2 411.506 0.806 20 0 HCADLO O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063861794 1079947951 /nfs/dbraw/zinc/94/79/51/1079947951.db2.gz VWCUJXRVYCZQML-KRWDZBQOSA-N 1 2 418.494 0.181 20 0 HCADLO Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1F ZINC000063861860 1079947681 /nfs/dbraw/zinc/94/76/81/1079947681.db2.gz OLSBFGNDKSEENP-QGZVFWFLSA-N 1 2 420.485 0.161 20 0 HCADLO Cc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cs1 ZINC000063862023 1079948263 /nfs/dbraw/zinc/94/82/63/1079948263.db2.gz KNSHZZAMKUWTQE-QGZVFWFLSA-N 1 2 421.567 0.276 20 0 HCADLO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063862086 1079948135 /nfs/dbraw/zinc/94/81/35/1079948135.db2.gz DXDIFMCOPMKPQB-ROUUACIJSA-N 1 2 403.479 0.068 20 0 HCADLO O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063862181 1079948205 /nfs/dbraw/zinc/94/82/05/1079948205.db2.gz WCXOPGKMRQUAEO-HXUWFJFHSA-N 1 2 411.506 0.728 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000063862339 1079948346 /nfs/dbraw/zinc/94/83/46/1079948346.db2.gz QGOYMYYOMVFEFR-IEBWSBKVSA-N 1 2 405.470 0.906 20 0 HCADLO O=C(NCc1ccc(N2CCCC2)nc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063862373 1079947703 /nfs/dbraw/zinc/94/77/03/1079947703.db2.gz FRRPXFVDQADMJK-GOSISDBHSA-N 1 2 401.511 0.479 20 0 HCADLO COCC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000063862498 1074476258 /nfs/dbraw/zinc/47/62/58/1074476258.db2.gz DBSOGXYPBYWWED-OAHLLOKOSA-N 1 2 404.467 0.391 20 0 HCADLO CCNC(=O)COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000063862742 1079948065 /nfs/dbraw/zinc/94/80/65/1079948065.db2.gz JXKKEAMJRCTCKS-INIZCTEOSA-N 1 2 418.494 0.321 20 0 HCADLO CN(C)C(=O)COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000063862744 1079947797 /nfs/dbraw/zinc/94/77/97/1079947797.db2.gz YMMCSRHTGURKDR-INIZCTEOSA-N 1 2 418.494 0.273 20 0 HCADLO COC(=O)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000063862764 1079947911 /nfs/dbraw/zinc/94/79/11/1079947911.db2.gz OBZMNUHVAHWKBX-GOSISDBHSA-N 1 2 403.479 0.612 20 0 HCADLO O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063862817 1074476188 /nfs/dbraw/zinc/47/61/88/1074476188.db2.gz ITZJNLYXIXGLAG-HNNXBMFYSA-N 1 2 402.451 0.762 20 0 HCADLO O=C(NCc1ccccc1Cn1cncn1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063862966 1079947979 /nfs/dbraw/zinc/94/79/79/1079947979.db2.gz BGHKQCXWQORGCB-IBGZPJMESA-N 1 2 412.494 0.123 20 0 HCADLO Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063862981 1079948388 /nfs/dbraw/zinc/94/83/88/1079948388.db2.gz KAJIUMGNAIVAQF-SFHVURJKSA-N 1 2 416.522 0.951 20 0 HCADLO CCOC(=O)COc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000063862993 1079947879 /nfs/dbraw/zinc/94/78/79/1079947879.db2.gz RTHCCJSSLQPXQO-INIZCTEOSA-N 1 2 419.478 0.748 20 0 HCADLO Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000063863270 1079947846 /nfs/dbraw/zinc/94/78/46/1079947846.db2.gz ODLPRHMMECRQBL-GOSISDBHSA-N 1 2 419.526 0.116 20 0 HCADLO Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000064022370 1074517534 /nfs/dbraw/zinc/51/75/34/1074517534.db2.gz JRSKWYFCLHKQSQ-QGZVFWFLSA-N 1 2 418.494 0.010 20 0 HCADLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064022372 1079951333 /nfs/dbraw/zinc/95/13/33/1079951333.db2.gz XJWMIUWLNKHKDX-QGZVFWFLSA-N 1 2 402.495 0.539 20 0 HCADLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064022376 1079951389 /nfs/dbraw/zinc/95/13/89/1079951389.db2.gz MTZLMYQZZGCLGT-SFHVURJKSA-N 1 2 416.522 0.827 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000064022388 1079951272 /nfs/dbraw/zinc/95/12/72/1079951272.db2.gz YSYSEJBVNOCPGY-LJQANCHMSA-N 1 2 420.554 0.418 20 0 HCADLO COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cc1 ZINC000064022408 1074517661 /nfs/dbraw/zinc/51/76/61/1074517661.db2.gz NONOQUYBBHFYEY-GOSISDBHSA-N 1 2 416.522 0.525 20 0 HCADLO COc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064022913 1079951053 /nfs/dbraw/zinc/95/10/53/1079951053.db2.gz ACCXOWZNKILCLN-QGZVFWFLSA-N 1 2 405.495 0.713 20 0 HCADLO CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064022922 1079950834 /nfs/dbraw/zinc/95/08/34/1079950834.db2.gz RIFSXSXEUJGMLW-QGZVFWFLSA-N 1 2 403.479 0.945 20 0 HCADLO COC(=O)c1cc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)oc1C ZINC000064023143 1079951235 /nfs/dbraw/zinc/95/12/35/1079951235.db2.gz PCROLJOPGULBIT-OAHLLOKOSA-N 1 2 407.467 0.514 20 0 HCADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000064024273 1079951113 /nfs/dbraw/zinc/95/11/13/1079951113.db2.gz UVTKFNMHCSFUSS-HXUWFJFHSA-N 1 2 411.506 0.728 20 0 HCADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000064024287 1079950777 /nfs/dbraw/zinc/95/07/77/1079950777.db2.gz YPSKANWEIBZJTL-FQEVSTJZSA-N 1 2 411.506 0.728 20 0 HCADLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064024289 1079950950 /nfs/dbraw/zinc/95/09/50/1079950950.db2.gz MNUGEZNFXBHJBF-HNNXBMFYSA-N 1 2 404.467 0.773 20 0 HCADLO O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064024294 1079950873 /nfs/dbraw/zinc/95/08/73/1079950873.db2.gz GSGGHPVRXNUFJA-INIZCTEOSA-N 1 2 400.479 0.933 20 0 HCADLO O=C(Nc1ccc2c(c1)NC(=O)CS2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064024303 1079951158 /nfs/dbraw/zinc/95/11/58/1079951158.db2.gz SIJKTWRRROZUGE-ZDUSSCGKSA-N 1 2 404.492 0.850 20 0 HCADLO CCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000064024397 1080550566 /nfs/dbraw/zinc/55/05/66/1080550566.db2.gz DUCVAORTVGSLNV-CYBMUJFWSA-N 1 2 410.496 0.368 20 0 HCADLO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064024406 1074517618 /nfs/dbraw/zinc/51/76/18/1074517618.db2.gz QQNMXDDEQFNNCE-MRXNPFEDSA-N 1 2 410.515 0.246 20 0 HCADLO O=C(NCCc1ccc(-n2cccn2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064024417 1079951490 /nfs/dbraw/zinc/95/14/90/1079951490.db2.gz FOJRYBFSKSOLQF-LJQANCHMSA-N 1 2 411.506 0.712 20 0 HCADLO CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064024540 1079951938 /nfs/dbraw/zinc/95/19/38/1079951938.db2.gz ODRGAIDVOWVMAE-CQSZACIVSA-N 1 2 410.496 0.177 20 0 HCADLO COC(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064024777 1079952465 /nfs/dbraw/zinc/95/24/65/1079952465.db2.gz XACUCGINXVZUEO-GOSISDBHSA-N 1 2 403.479 0.313 20 0 HCADLO O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064025031 1079951881 /nfs/dbraw/zinc/95/18/81/1079951881.db2.gz WRXVFTZPXJGJHI-INIZCTEOSA-N 1 2 400.479 0.933 20 0 HCADLO COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(OC)c1OC ZINC000064025755 1079952173 /nfs/dbraw/zinc/95/21/73/1079952173.db2.gz LXWDWNWRWJRAFW-MRXNPFEDSA-N 1 2 421.494 0.509 20 0 HCADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000064032649 1079951910 /nfs/dbraw/zinc/95/19/10/1079951910.db2.gz PEFMWBGLBQWTCD-HXUWFJFHSA-N 1 2 411.506 0.728 20 0 HCADLO CCCN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000064032863 1079951834 /nfs/dbraw/zinc/95/18/34/1079951834.db2.gz BSVNHDXQXCZMCD-UHFFFAOYSA-N 1 2 423.583 0.783 20 0 HCADLO CCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064033066 1079952366 /nfs/dbraw/zinc/95/23/66/1079952366.db2.gz DTJVHPDYVFGYHI-SFHVURJKSA-N 1 2 408.543 0.322 20 0 HCADLO CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064033075 1079952220 /nfs/dbraw/zinc/95/22/20/1079952220.db2.gz IWOKKXOMUNZOBE-GOSISDBHSA-N 1 2 402.495 0.185 20 0 HCADLO Cc1csc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC000064033234 1079952297 /nfs/dbraw/zinc/95/22/97/1079952297.db2.gz TXKJUCBNODWCSZ-MRXNPFEDSA-N 1 2 407.540 0.281 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCN(CC(F)(F)F)CC1 ZINC000064033281 1079952023 /nfs/dbraw/zinc/95/20/23/1079952023.db2.gz RBMLIMXFBVCTNG-OAHLLOKOSA-N 1 2 406.449 0.264 20 0 HCADLO COCCOc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OC ZINC000064033657 1079951990 /nfs/dbraw/zinc/95/19/90/1079951990.db2.gz BICWIKRGGOCQJQ-INIZCTEOSA-N 1 2 421.494 0.840 20 0 HCADLO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064033711 1079953057 /nfs/dbraw/zinc/95/30/57/1079953057.db2.gz RCUYFOIXVPXIIM-OAHLLOKOSA-N 1 2 422.913 0.918 20 0 HCADLO CCNC(=O)COc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000064033758 1079953530 /nfs/dbraw/zinc/95/35/30/1079953530.db2.gz IVCINVMJINTJPH-INIZCTEOSA-N 1 2 418.494 0.321 20 0 HCADLO CCCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064034332 1079953234 /nfs/dbraw/zinc/95/32/34/1079953234.db2.gz NIMPIYAGLHQZIV-IBGZPJMESA-N 1 2 422.570 0.712 20 0 HCADLO COC(=O)COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064034682 1080550810 /nfs/dbraw/zinc/55/08/10/1080550810.db2.gz WHLIZKLHJIGQAO-HNNXBMFYSA-N 1 2 405.451 0.358 20 0 HCADLO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000064034773 1074523379 /nfs/dbraw/zinc/52/33/79/1074523379.db2.gz ALCGLKQKNDRDDS-UHFFFAOYSA-N 1 2 410.540 0.538 20 0 HCADLO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000064034773 1074523371 /nfs/dbraw/zinc/52/33/71/1074523371.db2.gz ALCGLKQKNDRDDS-UHFFFAOYSA-N 1 2 410.540 0.538 20 0 HCADLO CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000064034884 1079952969 /nfs/dbraw/zinc/95/29/69/1079952969.db2.gz NOGORIUNZIYEGO-GOSISDBHSA-N 1 2 402.495 0.233 20 0 HCADLO O=C(Nc1cccc(N2CCNC2=O)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064034893 1079953378 /nfs/dbraw/zinc/95/33/78/1079953378.db2.gz HWVRPSKGJLBAKG-HNNXBMFYSA-N 1 2 401.467 0.335 20 0 HCADLO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000064034895 1079953784 /nfs/dbraw/zinc/95/37/84/1079953784.db2.gz OHXIWPMWCZVJPZ-GOSISDBHSA-N 1 2 403.527 0.725 20 0 HCADLO O=C(NCc1ccc(N2CCCCC2)nc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064034910 1079953013 /nfs/dbraw/zinc/95/30/13/1079953013.db2.gz MWUMZIXEHCNMPB-LJQANCHMSA-N 1 2 415.538 0.869 20 0 HCADLO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000064034975 1079953673 /nfs/dbraw/zinc/95/36/73/1079953673.db2.gz LJKPJIASTLAFIL-CRAIPNDOSA-N 1 2 414.506 0.929 20 0 HCADLO CCCNC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000064035003 1079953186 /nfs/dbraw/zinc/95/31/86/1079953186.db2.gz SZLTYXWTFKTYAF-LJQANCHMSA-N 1 2 416.522 0.623 20 0 HCADLO COc1cc(OC)c(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(OC)c1 ZINC000064035202 1074523287 /nfs/dbraw/zinc/52/32/87/1074523287.db2.gz BKUHUPQKXAWYKQ-OAHLLOKOSA-N 1 2 421.494 0.509 20 0 HCADLO COCCOc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000064035853 1079953605 /nfs/dbraw/zinc/95/36/05/1079953605.db2.gz NZWAIMBMNBBFJP-GOSISDBHSA-N 1 2 405.495 0.509 20 0 HCADLO CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064036458 1079953649 /nfs/dbraw/zinc/95/36/49/1079953649.db2.gz NJDCVSZLESIKNN-LJQANCHMSA-N 1 2 422.570 0.664 20 0 HCADLO O=C(c1ccsc1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064037049 1079954621 /nfs/dbraw/zinc/95/46/21/1079954621.db2.gz CFFJPLKYOFMJHG-QGZVFWFLSA-N 1 2 420.535 0.213 20 0 HCADLO COc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064037394 1074524291 /nfs/dbraw/zinc/52/42/91/1074524291.db2.gz GWDSYGJRSKHBLP-QGZVFWFLSA-N 1 2 405.495 0.713 20 0 HCADLO O=C(NCc1cccc(Cn2cccn2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064037463 1079954348 /nfs/dbraw/zinc/95/43/48/1079954348.db2.gz XBLAQIQHVJBLRG-HXUWFJFHSA-N 1 2 411.506 0.728 20 0 HCADLO Cc1cccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000064037685 1079954653 /nfs/dbraw/zinc/95/46/53/1079954653.db2.gz CFGMWAMNNTYRBX-GOSISDBHSA-N 1 2 402.495 0.022 20 0 HCADLO COCCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064038223 1079954763 /nfs/dbraw/zinc/95/47/63/1079954763.db2.gz UUHFMJOLUHZOOE-SFHVURJKSA-N 1 2 405.495 0.509 20 0 HCADLO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064046770 1074524858 /nfs/dbraw/zinc/52/48/58/1074524858.db2.gz LWEZTGIVPHMXSQ-LJQANCHMSA-N 1 2 416.522 0.320 20 0 HCADLO CCOC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064047359 1079954554 /nfs/dbraw/zinc/95/45/54/1079954554.db2.gz KNMSPNQDDMUJQL-GOSISDBHSA-N 1 2 403.479 0.660 20 0 HCADLO COCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1F ZINC000064047381 1079954306 /nfs/dbraw/zinc/95/43/06/1079954306.db2.gz NLEYSHVYMUCJSU-HNNXBMFYSA-N 1 2 409.458 0.970 20 0 HCADLO COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000064047487 1080551121 /nfs/dbraw/zinc/55/11/21/1080551121.db2.gz YCGOROJEIPWOIF-SJLPKXTDSA-N 1 2 421.469 0.727 20 0 HCADLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000064047529 1079954732 /nfs/dbraw/zinc/95/47/32/1079954732.db2.gz SGOOKGRAITYWTO-IPMKNSEASA-N 1 2 422.570 0.711 20 0 HCADLO Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1NS(C)(=O)=O ZINC000064051701 1079954796 /nfs/dbraw/zinc/95/47/96/1079954796.db2.gz WESFQZIIXLUMPG-HNNXBMFYSA-N 1 2 424.523 0.486 20 0 HCADLO O=C(NCCCS(=O)(=O)c1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064051896 1079954462 /nfs/dbraw/zinc/95/44/62/1079954462.db2.gz UJXURDHBSQVVIL-KRWDZBQOSA-N 1 2 423.535 0.147 20 0 HCADLO C[C@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064051961 1079954496 /nfs/dbraw/zinc/95/44/96/1079954496.db2.gz JVLSQFJFQBYTNE-PKOBYXMFSA-N 1 2 400.523 0.735 20 0 HCADLO O=C(NC1CCN(CC(F)(F)F)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064052123 1079954244 /nfs/dbraw/zinc/95/42/44/1079954244.db2.gz CCNTUHVABRTXJW-AWEZNQCLSA-N 1 2 406.449 0.310 20 0 HCADLO CCOc1ccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064052635 1079954589 /nfs/dbraw/zinc/95/45/89/1079954589.db2.gz SIVOKWJMTBIRFU-MRXNPFEDSA-N 1 2 418.494 0.321 20 0 HCADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000064052762 1079954857 /nfs/dbraw/zinc/95/48/57/1079954857.db2.gz SWRUULANZFXYLK-HOTGVXAUSA-N 1 2 418.494 0.779 20 0 HCADLO COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000064052768 1079954834 /nfs/dbraw/zinc/95/48/34/1079954834.db2.gz KFMWHFVDMZGZTP-GOSISDBHSA-N 1 2 419.522 0.933 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000064052976 1079954381 /nfs/dbraw/zinc/95/43/81/1079954381.db2.gz UZCBZFMEIBIRMR-LJQANCHMSA-N 1 2 420.554 0.418 20 0 HCADLO O=C(NCc1ccccc1N1CCOCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064053102 1079954265 /nfs/dbraw/zinc/95/42/65/1079954265.db2.gz DJENDMPOHBJGMQ-LJQANCHMSA-N 1 2 416.522 0.320 20 0 HCADLO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)CC(=O)N2 ZINC000064053381 1079954422 /nfs/dbraw/zinc/95/44/22/1079954422.db2.gz HBMDOMSHQQDTEO-RHSMWYFYSA-N 1 2 400.479 0.539 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCc2nccs2)CC1 ZINC000064152582 1075766971 /nfs/dbraw/zinc/76/69/71/1075766971.db2.gz SGGJANPPXOTOAZ-UHFFFAOYSA-N 1 2 415.479 0.644 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(CC(F)F)CC3)c2)CC1 ZINC000064297615 1079959230 /nfs/dbraw/zinc/95/92/30/1079959230.db2.gz VRHSDDGEZCQUMX-UHFFFAOYSA-N 1 2 409.481 0.782 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000064369036 1079960664 /nfs/dbraw/zinc/96/06/64/1079960664.db2.gz RJGMKXACKIWVIP-UHFFFAOYSA-N 1 2 420.433 0.529 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)COC2 ZINC000064390292 1079961739 /nfs/dbraw/zinc/96/17/39/1079961739.db2.gz MPQDPQXHDYFURI-UHFFFAOYSA-N 1 2 416.503 0.994 20 0 HCADLO COc1cccc(C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]2CCCO2)c1 ZINC000064400574 1080563547 /nfs/dbraw/zinc/56/35/47/1080563547.db2.gz YGBFMFYRHRRQFR-INIZCTEOSA-N 1 2 416.478 0.539 20 0 HCADLO COc1cccc(C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]2CCCO2)c1 ZINC000064400574 1080563539 /nfs/dbraw/zinc/56/35/39/1080563539.db2.gz YGBFMFYRHRRQFR-INIZCTEOSA-N 1 2 416.478 0.539 20 0 HCADLO COc1ccc(CNC(=O)CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000064413520 1079962267 /nfs/dbraw/zinc/96/22/67/1079962267.db2.gz XPDSAHAMPUGJRH-FQEVSTJZSA-N 1 2 422.551 0.819 20 0 HCADLO NC(=O)NC(=O)CCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000064431161 1079962288 /nfs/dbraw/zinc/96/22/88/1079962288.db2.gz NWLICCVEKOXBTL-UHFFFAOYSA-N 1 2 422.429 0.987 20 0 HCADLO C#CCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 ZINC000064442652 1078483180 /nfs/dbraw/zinc/48/31/80/1078483180.db2.gz CIWQCMQEHRWKKH-UHFFFAOYSA-N 1 2 421.519 0.497 20 0 HCADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000064595217 1079967594 /nfs/dbraw/zinc/96/75/94/1079967594.db2.gz YMMRBDONBBNQTH-KBPBESRZSA-N 1 2 405.542 0.372 20 0 HCADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000064596173 1079968516 /nfs/dbraw/zinc/96/85/16/1079968516.db2.gz XLZXEIXPYLAGPP-UHFFFAOYSA-N 1 2 410.521 0.937 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc3c(c2)COC3)CC1 ZINC000064693868 1078595162 /nfs/dbraw/zinc/59/51/62/1078595162.db2.gz PDKDXFFIWOYWGG-UHFFFAOYSA-N 1 2 422.445 0.899 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCCN(c2nccs2)CC1 ZINC000064758216 1079972891 /nfs/dbraw/zinc/97/28/91/1079972891.db2.gz VHGXWNHNWUWXIO-UHFFFAOYSA-N 1 2 416.555 0.977 20 0 HCADLO Cn1cc(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1C(N)=O ZINC000065012040 1080636490 /nfs/dbraw/zinc/63/64/90/1080636490.db2.gz WTEDPRBGAWDDGS-UHFFFAOYSA-N 1 2 422.507 0.314 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065034154 1079976860 /nfs/dbraw/zinc/97/68/60/1079976860.db2.gz QYBUMANIWNZGAE-UHFFFAOYSA-N 1 2 414.528 0.136 20 0 HCADLO CNC(=O)COc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1OC ZINC000065056390 1079977378 /nfs/dbraw/zinc/97/73/78/1079977378.db2.gz BTPBPIZWNIGBSH-FQEVSTJZSA-N 1 2 423.535 0.758 20 0 HCADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000065170930 1080680636 /nfs/dbraw/zinc/68/06/36/1080680636.db2.gz RQRNBMPNWGJDCR-SSTJLMRISA-N 1 2 410.603 0.579 20 0 HCADLO O=C(CCC(=O)N1CCOCC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065218793 1079980355 /nfs/dbraw/zinc/98/03/55/1079980355.db2.gz RFQYDXPQULKBRJ-UHFFFAOYSA-N 1 2 405.495 0.653 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000065264167 1079981295 /nfs/dbraw/zinc/98/12/95/1079981295.db2.gz MRHZPCAESXNFBS-UHFFFAOYSA-N 1 2 423.539 0.146 20 0 HCADLO O=C(NCCc1nccs1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065304535 1079982216 /nfs/dbraw/zinc/98/22/16/1079982216.db2.gz QOOBVCTYLMVQGP-UHFFFAOYSA-N 1 2 424.552 0.532 20 0 HCADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCNc3cccc[nH+]3)CC2)cn1C ZINC000065308673 1079982751 /nfs/dbraw/zinc/98/27/51/1079982751.db2.gz IDQBHUMQGBQNAH-UHFFFAOYSA-N 1 2 406.512 0.753 20 0 HCADLO CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000065309520 1079982174 /nfs/dbraw/zinc/98/21/74/1079982174.db2.gz BLGHRECWVWKIJM-KRWDZBQOSA-N 1 2 408.543 0.320 20 0 HCADLO CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000065320005 1079983836 /nfs/dbraw/zinc/98/38/36/1079983836.db2.gz WQXXEHJPGGZCRQ-QZTJIDSGSA-N 1 2 408.543 0.322 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](C)OC(C)(C)C2)CC1 ZINC000065424733 1079985782 /nfs/dbraw/zinc/98/57/82/1079985782.db2.gz QVLOWWPJSYSXMY-ZDUSSCGKSA-N 1 2 414.528 0.624 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2C[C@H](C)OC(C)(C)C2)CC1 ZINC000065424733 1079985763 /nfs/dbraw/zinc/98/57/63/1079985763.db2.gz QVLOWWPJSYSXMY-ZDUSSCGKSA-N 1 2 414.528 0.624 20 0 HCADLO C[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC(C)(C)O1 ZINC000065426384 1079985887 /nfs/dbraw/zinc/98/58/87/1079985887.db2.gz DXMATFQCGAUOSX-LPHOPBHVSA-N 1 2 417.506 0.997 20 0 HCADLO C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC(C)(C)O1 ZINC000065426384 1079985875 /nfs/dbraw/zinc/98/58/75/1079985875.db2.gz DXMATFQCGAUOSX-LPHOPBHVSA-N 1 2 417.506 0.997 20 0 HCADLO C[C@H]1CN(CC(=O)N2CCN(C(=O)C[N@H+]3C[C@H](C)OC(C)(C)C3)CC2)CC(C)(C)O1 ZINC000065427257 1080758906 /nfs/dbraw/zinc/75/89/06/1080758906.db2.gz AWNMFZJJKARXCH-ROUUACIJSA-N 1 2 424.586 0.656 20 0 HCADLO C[C@H]1CN(CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)OC(C)(C)C3)CC2)CC(C)(C)O1 ZINC000065427257 1080758898 /nfs/dbraw/zinc/75/88/98/1080758898.db2.gz AWNMFZJJKARXCH-ROUUACIJSA-N 1 2 424.586 0.656 20 0 HCADLO Cc1ccc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000065445794 1079985303 /nfs/dbraw/zinc/98/53/03/1079985303.db2.gz SNFSPDZSAPMAFA-UHFFFAOYSA-N 1 2 423.583 0.665 20 0 HCADLO COc1cc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc(OC)c1O ZINC000065463017 1079986437 /nfs/dbraw/zinc/98/64/37/1079986437.db2.gz MIPQPCSKOFEWAY-UHFFFAOYSA-N 1 2 416.482 0.821 20 0 HCADLO CCOC(=O)CN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC(C)C ZINC000065541736 1079988369 /nfs/dbraw/zinc/98/83/69/1079988369.db2.gz SUFVMUYSCLRNEO-UHFFFAOYSA-N 1 2 417.514 0.533 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)nn1 ZINC000065621793 1079992799 /nfs/dbraw/zinc/99/27/99/1079992799.db2.gz IWSJNHZHUKNLGR-UHFFFAOYSA-N 1 2 416.482 0.007 20 0 HCADLO O=C(CCCN1C(=O)CNC1=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065623445 1079993051 /nfs/dbraw/zinc/99/30/51/1079993051.db2.gz CFCZVBUKFMEBQN-UHFFFAOYSA-N 1 2 404.467 0.346 20 0 HCADLO CCc1nc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000065640723 1079994053 /nfs/dbraw/zinc/99/40/53/1079994053.db2.gz MTHZUQBXXHMWRI-UHFFFAOYSA-N 1 2 423.564 0.911 20 0 HCADLO Cn1c(=O)cc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)n(C)c1=O ZINC000065682481 1079993795 /nfs/dbraw/zinc/99/37/95/1079993795.db2.gz OGZAOXARXPPQHF-UHFFFAOYSA-N 1 2 402.886 0.703 20 0 HCADLO O=C(NCc1nnc2n1CCC2)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065697005 1079995332 /nfs/dbraw/zinc/99/53/32/1079995332.db2.gz IEKLBDJVBUJUHN-UHFFFAOYSA-N 1 2 400.483 0.935 20 0 HCADLO C[C@H](CN1CCOCC1)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065697193 1079994969 /nfs/dbraw/zinc/99/49/69/1079994969.db2.gz WQLMIUQVUUUISU-GOSISDBHSA-N 1 2 406.527 0.918 20 0 HCADLO CN(C)C(=O)N1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000065697775 1079995008 /nfs/dbraw/zinc/99/50/08/1079995008.db2.gz KPURTHUNMSMYAU-UHFFFAOYSA-N 1 2 419.526 0.906 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000065788733 1079999931 /nfs/dbraw/zinc/99/99/31/1079999931.db2.gz VIILVFRNEHGTIA-UHFFFAOYSA-N 1 2 401.467 0.978 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000065788733 1079999905 /nfs/dbraw/zinc/99/99/05/1079999905.db2.gz VIILVFRNEHGTIA-UHFFFAOYSA-N 1 2 401.467 0.978 20 0 HCADLO Cc1nc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)oc1C ZINC000065790728 1079999725 /nfs/dbraw/zinc/99/97/25/1079999725.db2.gz AXFUDMLGVVGGFU-UHFFFAOYSA-N 1 2 408.484 0.960 20 0 HCADLO NC(=O)NC(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000065949642 1080002374 /nfs/dbraw/zinc/00/23/74/1080002374.db2.gz UBJCYJPFMSHJMW-UHFFFAOYSA-N 1 2 406.867 0.761 20 0 HCADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(Cc2cscn2)CC1 ZINC000065952805 1080002613 /nfs/dbraw/zinc/00/26/13/1080002613.db2.gz BOWCJPNUHYQJDO-MRXNPFEDSA-N 1 2 401.540 0.788 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCNC(=O)CC3)CC2)cc1 ZINC000065955138 1080002914 /nfs/dbraw/zinc/00/29/14/1080002914.db2.gz GOXCZYNIVDYUPV-INIZCTEOSA-N 1 2 408.524 0.038 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCNC(=O)CC3)CC2)cc1 ZINC000065955138 1080002904 /nfs/dbraw/zinc/00/29/04/1080002904.db2.gz GOXCZYNIVDYUPV-INIZCTEOSA-N 1 2 408.524 0.038 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000065963842 1080002812 /nfs/dbraw/zinc/00/28/12/1080002812.db2.gz GBLVTGZOSXQSFN-CYBMUJFWSA-N 1 2 419.526 0.398 20 0 HCADLO Nc1c(C(=O)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000065964729 1080003450 /nfs/dbraw/zinc/00/34/50/1080003450.db2.gz GBTRALKSXXNCFE-UHFFFAOYSA-N 1 2 417.510 0.797 20 0 HCADLO CCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(=O)[nH]c1=O ZINC000065964917 1080003583 /nfs/dbraw/zinc/00/35/83/1080003583.db2.gz QXEIQSJCIJKJIN-UHFFFAOYSA-N 1 2 405.499 0.482 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065965105 1080003249 /nfs/dbraw/zinc/00/32/49/1080003249.db2.gz BHRKOHYKTDFZHN-CYBMUJFWSA-N 1 2 419.526 0.398 20 0 HCADLO Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(=O)n(C)c1=O ZINC000065965266 1080003312 /nfs/dbraw/zinc/00/33/12/1080003312.db2.gz XVPQAVWHQDPQRV-UHFFFAOYSA-N 1 2 405.499 0.010 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000066046118 1080004101 /nfs/dbraw/zinc/00/41/01/1080004101.db2.gz DFYPFUARZAYRJF-LIRRHRJNSA-N 1 2 400.479 0.299 20 0 HCADLO CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC000068920451 1080010872 /nfs/dbraw/zinc/01/08/72/1080010872.db2.gz CQFRQJLUVUNLLU-UHFFFAOYSA-N 1 2 405.467 0.860 20 0 HCADLO COc1cc(C(=O)NCC(=O)NCC(C)(C)[NH+]2CCOCC2)cc(OC)c1OC ZINC000068920476 1080947171 /nfs/dbraw/zinc/94/71/71/1080947171.db2.gz MDPKEHAHNXWVOB-UHFFFAOYSA-N 1 2 409.483 0.669 20 0 HCADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000069298813 1081145440 /nfs/dbraw/zinc/14/54/40/1081145440.db2.gz YNOBTXAIDMJVJR-UWJYYQICSA-N 1 2 400.479 0.724 20 0 HCADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000069298813 1081145438 /nfs/dbraw/zinc/14/54/38/1081145438.db2.gz YNOBTXAIDMJVJR-UWJYYQICSA-N 1 2 400.479 0.724 20 0 HCADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000069298817 1081145336 /nfs/dbraw/zinc/14/53/36/1081145336.db2.gz YNOBTXAIDMJVJR-LAUBAEHRSA-N 1 2 400.479 0.724 20 0 HCADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000069298817 1081145327 /nfs/dbraw/zinc/14/53/27/1081145327.db2.gz YNOBTXAIDMJVJR-LAUBAEHRSA-N 1 2 400.479 0.724 20 0 HCADLO Cn1ccnc1[C@](O)(CCNC(=O)NCC(C)(C)[NH+]1CCOCC1)C(F)(F)F ZINC000071917499 1079063913 /nfs/dbraw/zinc/06/39/13/1079063913.db2.gz QHEOQOXIYLZVOK-MRXNPFEDSA-N 1 2 407.437 0.970 20 0 HCADLO Cn1ccnc1[C@@](O)(CCNC(=O)NCC(C)(C)[NH+]1CCOCC1)C(F)(F)F ZINC000071917500 1079063988 /nfs/dbraw/zinc/06/39/88/1079063988.db2.gz QHEOQOXIYLZVOK-INIZCTEOSA-N 1 2 407.437 0.970 20 0 HCADLO COCCNC(=O)CN1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000071947055 1078832843 /nfs/dbraw/zinc/83/28/43/1078832843.db2.gz LMESVBUYJKXREO-UHFFFAOYSA-N 1 2 401.511 0.879 20 0 HCADLO Cc1ccc(-c2nnc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000071952094 1078833125 /nfs/dbraw/zinc/83/31/25/1078833125.db2.gz XDMGIDPOGMAUET-UHFFFAOYSA-N 1 2 420.539 0.655 20 0 HCADLO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000108098022 1080281852 /nfs/dbraw/zinc/28/18/52/1080281852.db2.gz CWNQPYMGMBXIOC-SFHVURJKSA-N 1 2 423.583 0.316 20 0 HCADLO C[C@H](c1ccccc1)N(C)C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000108098025 1080281919 /nfs/dbraw/zinc/28/19/19/1080281919.db2.gz CWNQPYMGMBXIOC-GOSISDBHSA-N 1 2 423.583 0.316 20 0 HCADLO Cc1ccccc1-c1noc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000108098532 1080281744 /nfs/dbraw/zinc/28/17/44/1080281744.db2.gz FDHSCXVSXUMIEO-UHFFFAOYSA-N 1 2 420.539 0.655 20 0 HCADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000108184024 1080288874 /nfs/dbraw/zinc/28/88/74/1080288874.db2.gz RKNVKLFXZRNPPH-GOSISDBHSA-N 1 2 422.551 0.877 20 0 HCADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000108184024 1080288865 /nfs/dbraw/zinc/28/88/65/1080288865.db2.gz RKNVKLFXZRNPPH-GOSISDBHSA-N 1 2 422.551 0.877 20 0 HCADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000108184028 1080289109 /nfs/dbraw/zinc/28/91/09/1080289109.db2.gz RKNVKLFXZRNPPH-SFHVURJKSA-N 1 2 422.551 0.877 20 0 HCADLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000108184028 1080289099 /nfs/dbraw/zinc/28/90/99/1080289099.db2.gz RKNVKLFXZRNPPH-SFHVURJKSA-N 1 2 422.551 0.877 20 0 HCADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCOc3ccccc3C2)CC1 ZINC000108253792 1080295585 /nfs/dbraw/zinc/29/55/85/1080295585.db2.gz KQCXIPGDPTZZRM-UHFFFAOYSA-N 1 2 407.478 0.907 20 0 HCADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCOc3ccccc3C2)CC1 ZINC000108253792 1080295571 /nfs/dbraw/zinc/29/55/71/1080295571.db2.gz KQCXIPGDPTZZRM-UHFFFAOYSA-N 1 2 407.478 0.907 20 0 HCADLO COc1ccccc1OCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000108437853 1080311641 /nfs/dbraw/zinc/31/16/41/1080311641.db2.gz SNXUMVXVZPHBRU-UHFFFAOYSA-N 1 2 400.483 0.985 20 0 HCADLO COc1ccccc1N1C[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000108483718 1080318384 /nfs/dbraw/zinc/31/83/84/1080318384.db2.gz NOOWAHNBHVFMLK-QGZVFWFLSA-N 1 2 424.505 0.777 20 0 HCADLO COc1ccccc1N1C[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000108483721 1080318124 /nfs/dbraw/zinc/31/81/24/1080318124.db2.gz NOOWAHNBHVFMLK-KRWDZBQOSA-N 1 2 424.505 0.777 20 0 HCADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000109020617 1080349355 /nfs/dbraw/zinc/34/93/55/1080349355.db2.gz RCANNOASAFUZLA-UHFFFAOYSA-N 1 2 402.476 0.955 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000110264395 1080010660 /nfs/dbraw/zinc/01/06/60/1080010660.db2.gz OLWCBSWWRRDRHS-UHFFFAOYSA-N 1 2 419.507 0.727 20 0 HCADLO COC(=O)CN(CC(=O)OC)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000110668089 1080753851 /nfs/dbraw/zinc/75/38/51/1080753851.db2.gz QNIHCFGXRJGDLG-UHFFFAOYSA-N 1 2 402.407 0.700 20 0 HCADLO CCN1CCN(CC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)C(=O)C1=O ZINC000110880447 1080452481 /nfs/dbraw/zinc/45/24/81/1080452481.db2.gz ZTFLWLFKCDXTQJ-SFHVURJKSA-N 1 2 416.522 0.427 20 0 HCADLO CCN1CCN(CC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)C(=O)C1=O ZINC000110880450 1080452336 /nfs/dbraw/zinc/45/23/36/1080452336.db2.gz ZTFLWLFKCDXTQJ-GOSISDBHSA-N 1 2 416.522 0.427 20 0 HCADLO O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000110941641 1080458621 /nfs/dbraw/zinc/45/86/21/1080458621.db2.gz IRPDSMNDPYIMJU-UHFFFAOYSA-N 1 2 400.479 0.978 20 0 HCADLO CNS(=O)(=O)c1ccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)o1 ZINC000111027398 1080472975 /nfs/dbraw/zinc/47/29/75/1080472975.db2.gz KAXNUKRJXOIZED-UHFFFAOYSA-N 1 2 422.507 0.947 20 0 HCADLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000111039624 1080477216 /nfs/dbraw/zinc/47/72/16/1080477216.db2.gz RUSABBJDFUKUES-GOSISDBHSA-N 1 2 411.524 0.543 20 0 HCADLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000111039624 1080477211 /nfs/dbraw/zinc/47/72/11/1080477211.db2.gz RUSABBJDFUKUES-GOSISDBHSA-N 1 2 411.524 0.543 20 0 HCADLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000111039626 1080477321 /nfs/dbraw/zinc/47/73/21/1080477321.db2.gz RUSABBJDFUKUES-SFHVURJKSA-N 1 2 411.524 0.543 20 0 HCADLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000111039626 1080477319 /nfs/dbraw/zinc/47/73/19/1080477319.db2.gz RUSABBJDFUKUES-SFHVURJKSA-N 1 2 411.524 0.543 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)CC1 ZINC000111043816 1080017639 /nfs/dbraw/zinc/01/76/39/1080017639.db2.gz ZLTWUJVSJYNFSA-UHFFFAOYSA-N 1 2 403.527 0.889 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)CC1 ZINC000111043816 1080017629 /nfs/dbraw/zinc/01/76/29/1080017629.db2.gz ZLTWUJVSJYNFSA-UHFFFAOYSA-N 1 2 403.527 0.889 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000111047204 1080478458 /nfs/dbraw/zinc/47/84/58/1080478458.db2.gz FIIASAQJTGKDTF-LBPRGKRZSA-N 1 2 423.495 0.876 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000111047204 1080478453 /nfs/dbraw/zinc/47/84/53/1080478453.db2.gz FIIASAQJTGKDTF-LBPRGKRZSA-N 1 2 423.495 0.876 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000111047207 1080478504 /nfs/dbraw/zinc/47/85/04/1080478504.db2.gz FIIASAQJTGKDTF-GFCCVEGCSA-N 1 2 423.495 0.876 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000111047207 1080478499 /nfs/dbraw/zinc/47/84/99/1080478499.db2.gz FIIASAQJTGKDTF-GFCCVEGCSA-N 1 2 423.495 0.876 20 0 HCADLO C[C@@H](CN1CCOCC1)[N@@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1 ZINC000111055212 1080480282 /nfs/dbraw/zinc/48/02/82/1080480282.db2.gz NAAQKVFMYCNEEN-IBGZPJMESA-N 1 2 402.539 0.948 20 0 HCADLO C[C@@H](CN1CCOCC1)[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1 ZINC000111055212 1080480276 /nfs/dbraw/zinc/48/02/76/1080480276.db2.gz NAAQKVFMYCNEEN-IBGZPJMESA-N 1 2 402.539 0.948 20 0 HCADLO C[C@H](CN1CCOCC1)[N@@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1 ZINC000111055215 1080480262 /nfs/dbraw/zinc/48/02/62/1080480262.db2.gz NAAQKVFMYCNEEN-LJQANCHMSA-N 1 2 402.539 0.948 20 0 HCADLO C[C@H](CN1CCOCC1)[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1 ZINC000111055215 1080480255 /nfs/dbraw/zinc/48/02/55/1080480255.db2.gz NAAQKVFMYCNEEN-LJQANCHMSA-N 1 2 402.539 0.948 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000111084808 1080485452 /nfs/dbraw/zinc/48/54/52/1080485452.db2.gz SKKBVDUMCLJCCX-LBPRGKRZSA-N 1 2 409.430 0.821 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000111084811 1080485479 /nfs/dbraw/zinc/48/54/79/1080485479.db2.gz SKKBVDUMCLJCCX-GFCCVEGCSA-N 1 2 409.430 0.821 20 0 HCADLO CS(=O)(=O)N1CCN(CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000116139243 1081041182 /nfs/dbraw/zinc/04/11/82/1081041182.db2.gz DDRQLPUHEKBMMF-UHFFFAOYSA-N 1 2 410.544 0.058 20 0 HCADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCc3cc[nH+]c(N4CCCC4)c3)cnc21 ZINC000116755808 1081085716 /nfs/dbraw/zinc/08/57/16/1081085716.db2.gz QDPQLNQDDCIOCW-UHFFFAOYSA-N 1 2 416.463 0.096 20 0 HCADLO CCCCO[C@H](C)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000139102735 1077831951 /nfs/dbraw/zinc/83/19/51/1077831951.db2.gz HXNQGQJDYPUTAO-CQSZACIVSA-N 1 2 404.471 0.760 20 0 HCADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000139886254 1079849408 /nfs/dbraw/zinc/84/94/08/1079849408.db2.gz WNYSMLRTJHQYRB-UHFFFAOYSA-N 1 2 416.478 0.332 20 0 HCADLO Cc1cc(N2CCN(C(=O)CS(=O)(=O)c3cccc[n+]3[O-])CC2)nc(C(C)C)[nH+]1 ZINC000140198676 1080092095 /nfs/dbraw/zinc/09/20/95/1080092095.db2.gz KVUOLPYTHDLKJX-UHFFFAOYSA-N 1 2 419.507 0.664 20 0 HCADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O ZINC000140706926 1081372818 /nfs/dbraw/zinc/37/28/18/1081372818.db2.gz GAGMCLQDKBAICU-LBPRGKRZSA-N 1 2 409.487 0.086 20 0 HCADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O ZINC000140706926 1081372812 /nfs/dbraw/zinc/37/28/12/1081372812.db2.gz GAGMCLQDKBAICU-LBPRGKRZSA-N 1 2 409.487 0.086 20 0 HCADLO CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000143972994 1078848224 /nfs/dbraw/zinc/84/82/24/1078848224.db2.gz LRHXQCWZPZVULQ-UHFFFAOYSA-N 1 2 415.538 0.699 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000170344823 1078008070 /nfs/dbraw/zinc/00/80/70/1078008070.db2.gz CNLYRVZEIYNBQN-UHFFFAOYSA-N 1 2 402.476 0.617 20 0 HCADLO COc1ccc(OC)c(NC(=O)C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000170355262 1078008127 /nfs/dbraw/zinc/00/81/27/1078008127.db2.gz IIRRNAHCPUOWMB-CYBMUJFWSA-N 1 2 413.496 0.220 20 0 HCADLO COc1ccc(OC)c(NC(=O)C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000170355264 1078008176 /nfs/dbraw/zinc/00/81/76/1078008176.db2.gz IIRRNAHCPUOWMB-ZDUSSCGKSA-N 1 2 413.496 0.220 20 0 HCADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000195543224 1077617870 /nfs/dbraw/zinc/61/78/70/1077617870.db2.gz LSACQPCGTSZDLW-UHFFFAOYSA-N 1 2 406.911 0.956 20 0 HCADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)n1C1CC1 ZINC000195571645 1077618561 /nfs/dbraw/zinc/61/85/61/1077618561.db2.gz CMCRIBLGNOISET-UHFFFAOYSA-N 1 2 409.556 0.690 20 0 HCADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000195587380 1077619165 /nfs/dbraw/zinc/61/91/65/1077619165.db2.gz KBEKTSHAVISFKW-QGZVFWFLSA-N 1 2 411.572 0.953 20 0 HCADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000195587381 1077619045 /nfs/dbraw/zinc/61/90/45/1077619045.db2.gz KBEKTSHAVISFKW-KRWDZBQOSA-N 1 2 411.572 0.953 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)CC2)cc1 ZINC000195594160 1077620184 /nfs/dbraw/zinc/62/01/84/1077620184.db2.gz JHGYJHZUMDFHEC-CABCVRRESA-N 1 2 412.412 0.887 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)CC2)cc1 ZINC000195594161 1077619881 /nfs/dbraw/zinc/61/98/81/1077619881.db2.gz JHGYJHZUMDFHEC-GJZGRUSLSA-N 1 2 412.412 0.887 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)cc1 ZINC000195594162 1077619745 /nfs/dbraw/zinc/61/97/45/1077619745.db2.gz JHGYJHZUMDFHEC-HUUCEWRRSA-N 1 2 412.412 0.887 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)cc1 ZINC000195594163 1077619952 /nfs/dbraw/zinc/61/99/52/1077619952.db2.gz JHGYJHZUMDFHEC-LSDHHAIUSA-N 1 2 412.412 0.887 20 0 HCADLO Cc1cc(N2CCN(C(=O)Cn3nnn(-c4ccccc4)c3=O)CC2)nc(C(C)C)[nH+]1 ZINC000195679870 1078640467 /nfs/dbraw/zinc/64/04/67/1078640467.db2.gz JQSRVLLQTPUSMS-UHFFFAOYSA-N 1 2 422.493 1.000 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000195726523 1079333242 /nfs/dbraw/zinc/33/32/42/1079333242.db2.gz PBSBVZXJXOKVKM-UHFFFAOYSA-N 1 2 415.288 0.442 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000195726523 1079333233 /nfs/dbraw/zinc/33/32/33/1079333233.db2.gz PBSBVZXJXOKVKM-UHFFFAOYSA-N 1 2 415.288 0.442 20 0 HCADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@@H](C)O1 ZINC000227857086 1077688475 /nfs/dbraw/zinc/68/84/75/1077688475.db2.gz JMAIHVIGUIBFMS-BFYDXBDKSA-N 1 2 406.512 0.925 20 0 HCADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@H](C)O1 ZINC000227857093 1077688736 /nfs/dbraw/zinc/68/87/36/1077688736.db2.gz JMAIHVIGUIBFMS-HLLBOEOZSA-N 1 2 406.512 0.925 20 0 HCADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@H](C)O1 ZINC000227857093 1077688723 /nfs/dbraw/zinc/68/87/23/1077688723.db2.gz JMAIHVIGUIBFMS-HLLBOEOZSA-N 1 2 406.512 0.925 20 0 HCADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@@H](C)O1 ZINC000227858029 1077688551 /nfs/dbraw/zinc/68/85/51/1077688551.db2.gz ZDOGCQBDLCUNPN-MGPQQGTHSA-N 1 2 422.507 0.479 20 0 HCADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@H](C)O1 ZINC000227858035 1077688512 /nfs/dbraw/zinc/68/85/12/1077688512.db2.gz ZDOGCQBDLCUNPN-HZSPNIEDSA-N 1 2 422.507 0.479 20 0 HCADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@H](C)O1 ZINC000227858035 1077688499 /nfs/dbraw/zinc/68/84/99/1077688499.db2.gz ZDOGCQBDLCUNPN-HZSPNIEDSA-N 1 2 422.507 0.479 20 0 HCADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 ZINC000227858438 1077688588 /nfs/dbraw/zinc/68/85/88/1077688588.db2.gz KFJZIPCPOZJJHY-RBSFLKMASA-N 1 2 417.553 0.596 20 0 HCADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000227858443 1077688383 /nfs/dbraw/zinc/68/83/83/1077688383.db2.gz KFJZIPCPOZJJHY-QLFBSQMISA-N 1 2 417.553 0.596 20 0 HCADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000227858443 1077688374 /nfs/dbraw/zinc/68/83/74/1077688374.db2.gz KFJZIPCPOZJJHY-QLFBSQMISA-N 1 2 417.553 0.596 20 0 HCADLO O=C(CN1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1)NC1CC1 ZINC000247751308 1078820885 /nfs/dbraw/zinc/82/08/85/1078820885.db2.gz AWQVVRBPQBIDIY-UHFFFAOYSA-N 1 2 405.568 0.289 20 0 HCADLO CCN(CC)C(=O)CN1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000248251249 1078823957 /nfs/dbraw/zinc/82/39/57/1078823957.db2.gz MDWZDDUDVXMFDX-UHFFFAOYSA-N 1 2 421.611 0.878 20 0 HCADLO CC(C)NC(=O)CN1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000253373894 1078867844 /nfs/dbraw/zinc/86/78/44/1078867844.db2.gz KMOMCDOYZBCECQ-UHFFFAOYSA-N 1 2 407.584 0.535 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 ZINC000302955027 1077816044 /nfs/dbraw/zinc/81/60/44/1077816044.db2.gz CWTNZXGTEVBPRB-GOSISDBHSA-N 1 2 417.489 0.575 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 ZINC000302955027 1077816043 /nfs/dbraw/zinc/81/60/43/1077816043.db2.gz CWTNZXGTEVBPRB-GOSISDBHSA-N 1 2 417.489 0.575 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 ZINC000302955028 1077816095 /nfs/dbraw/zinc/81/60/95/1077816095.db2.gz CWTNZXGTEVBPRB-SFHVURJKSA-N 1 2 417.489 0.575 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 ZINC000302955028 1077816092 /nfs/dbraw/zinc/81/60/92/1077816092.db2.gz CWTNZXGTEVBPRB-SFHVURJKSA-N 1 2 417.489 0.575 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3c(C)nc4c(c(=O)[nH]n4C)c3C)C2)CC1 ZINC000303313537 1077821923 /nfs/dbraw/zinc/82/19/23/1077821923.db2.gz PPYFNYYXVYKCRE-INIZCTEOSA-N 1 2 400.527 0.659 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3c(C)nc4c(c(=O)[nH]n4C)c3C)C2)CC1 ZINC000303313912 1077821877 /nfs/dbraw/zinc/82/18/77/1077821877.db2.gz PPYFNYYXVYKCRE-MRXNPFEDSA-N 1 2 400.527 0.659 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000303314364 1080343906 /nfs/dbraw/zinc/34/39/06/1080343906.db2.gz PXORPXOCCKNKSP-GOSISDBHSA-N 1 2 408.568 0.766 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000303314366 1080343944 /nfs/dbraw/zinc/34/39/44/1080343944.db2.gz PXORPXOCCKNKSP-SFHVURJKSA-N 1 2 408.568 0.766 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000303315120 1077821868 /nfs/dbraw/zinc/82/18/68/1077821868.db2.gz QBTIKWXPXCSGNR-KRWDZBQOSA-N 1 2 412.531 0.733 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000303315122 1077821936 /nfs/dbraw/zinc/82/19/36/1077821936.db2.gz QBTIKWXPXCSGNR-QGZVFWFLSA-N 1 2 412.531 0.733 20 0 HCADLO CCN(CC)S(=O)(=O)CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000303583174 1077255983 /nfs/dbraw/zinc/25/59/83/1077255983.db2.gz RTBOMJHMEPUBPH-UHFFFAOYSA-N 1 2 400.520 0.736 20 0 HCADLO C[C@H](CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[NH+]1CCN(C)CC1 ZINC000303583590 1077256109 /nfs/dbraw/zinc/25/61/09/1077256109.db2.gz RVOMGWVKYSHAAV-GFCCVEGCSA-N 1 2 423.311 0.797 20 0 HCADLO C[C@@H](CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[NH+]1CCN(C)CC1 ZINC000303583592 1077255969 /nfs/dbraw/zinc/25/59/69/1077255969.db2.gz RVOMGWVKYSHAAV-LBPRGKRZSA-N 1 2 423.311 0.797 20 0 HCADLO O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)NCc1cccs1 ZINC000303734960 1080358710 /nfs/dbraw/zinc/35/87/10/1080358710.db2.gz GEFKCIHUFJHWNN-UHFFFAOYSA-N 1 2 402.524 0.813 20 0 HCADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000303744156 1077828601 /nfs/dbraw/zinc/82/86/01/1077828601.db2.gz JJPLJFBLRXTZCF-GOSISDBHSA-N 1 2 401.555 0.866 20 0 HCADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000303744156 1077828600 /nfs/dbraw/zinc/82/86/00/1077828600.db2.gz JJPLJFBLRXTZCF-GOSISDBHSA-N 1 2 401.555 0.866 20 0 HCADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000303744160 1077828635 /nfs/dbraw/zinc/82/86/35/1077828635.db2.gz JJPLJFBLRXTZCF-SFHVURJKSA-N 1 2 401.555 0.866 20 0 HCADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000303744160 1077828634 /nfs/dbraw/zinc/82/86/34/1077828634.db2.gz JJPLJFBLRXTZCF-SFHVURJKSA-N 1 2 401.555 0.866 20 0 HCADLO c1ccc(-n2nnnc2CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000303818490 1080361499 /nfs/dbraw/zinc/36/14/99/1080361499.db2.gz OVMCCBYKTPDAPO-UHFFFAOYSA-N 1 2 407.482 0.611 20 0 HCADLO Cc1nc2c(cnn2C)c(N2CC[NH+]([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 ZINC000303835023 1077270859 /nfs/dbraw/zinc/27/08/59/1077270859.db2.gz AMVPOIALOSNVRU-KRWDZBQOSA-N 1 2 409.498 0.723 20 0 HCADLO Cc1nc2c(cnn2C)c(N2CC[NH+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 ZINC000303835027 1077270892 /nfs/dbraw/zinc/27/08/92/1077270892.db2.gz AMVPOIALOSNVRU-QGZVFWFLSA-N 1 2 409.498 0.723 20 0 HCADLO CN(Cc1ccco1)C(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000303861251 1080363406 /nfs/dbraw/zinc/36/34/06/1080363406.db2.gz WOOYTNNYLPAULJ-UHFFFAOYSA-N 1 2 400.483 0.687 20 0 HCADLO COc1ccnc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC000328603972 569417237 /nfs/dbraw/zinc/41/72/37/569417237.db2.gz HXXKZGJARQACEC-HNNXBMFYSA-N 1 2 412.494 0.667 20 0 HCADLO COc1ccnc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC000328603973 569417256 /nfs/dbraw/zinc/41/72/56/569417256.db2.gz HXXKZGJARQACEC-OAHLLOKOSA-N 1 2 412.494 0.667 20 0 HCADLO COc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1 ZINC000328606102 569418259 /nfs/dbraw/zinc/41/82/59/569418259.db2.gz QMDYPCUYLLKWDE-AWEZNQCLSA-N 1 2 413.482 0.062 20 0 HCADLO COc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1 ZINC000328606104 569418279 /nfs/dbraw/zinc/41/82/79/569418279.db2.gz QMDYPCUYLLKWDE-CQSZACIVSA-N 1 2 413.482 0.062 20 0 HCADLO O=C(NC1(C(=O)Nc2ccccc2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000428763343 1074615461 /nfs/dbraw/zinc/61/54/61/1074615461.db2.gz VWMUVGGWYWPRGK-INIZCTEOSA-N 1 2 400.479 0.455 20 0 HCADLO O=C(NC1(C(=O)Nc2ccccc2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000428763344 1074615432 /nfs/dbraw/zinc/61/54/32/1074615432.db2.gz VWMUVGGWYWPRGK-MRXNPFEDSA-N 1 2 400.479 0.455 20 0 HCADLO CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428764831 1074626742 /nfs/dbraw/zinc/62/67/42/1074626742.db2.gz HUVJJABUBBNXAH-HNNXBMFYSA-N 1 2 400.570 0.358 20 0 HCADLO CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428764833 1074626884 /nfs/dbraw/zinc/62/68/84/1074626884.db2.gz HUVJJABUBBNXAH-OAHLLOKOSA-N 1 2 400.570 0.358 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000428766230 1074627415 /nfs/dbraw/zinc/62/74/15/1074627415.db2.gz SJPKIYIFACEPKZ-UHFFFAOYSA-N 1 2 408.528 0.606 20 0 HCADLO C[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428767466 1074667316 /nfs/dbraw/zinc/66/73/16/1074667316.db2.gz RECMCOZCGWHSOT-AWEZNQCLSA-N 1 2 405.467 0.912 20 0 HCADLO C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428767466 1074667312 /nfs/dbraw/zinc/66/73/12/1074667312.db2.gz RECMCOZCGWHSOT-AWEZNQCLSA-N 1 2 405.467 0.912 20 0 HCADLO C[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428767467 1074667349 /nfs/dbraw/zinc/66/73/49/1074667349.db2.gz RECMCOZCGWHSOT-CQSZACIVSA-N 1 2 405.467 0.912 20 0 HCADLO C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428767467 1074667346 /nfs/dbraw/zinc/66/73/46/1074667346.db2.gz RECMCOZCGWHSOT-CQSZACIVSA-N 1 2 405.467 0.912 20 0 HCADLO COC[C@H](C)n1ccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000428767602 1074666275 /nfs/dbraw/zinc/66/62/75/1074666275.db2.gz XKDIAXTWHNPPJO-INIZCTEOSA-N 1 2 400.483 1.553 20 0 HCADLO COC[C@@H](C)n1ccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000428767604 1074664487 /nfs/dbraw/zinc/66/44/87/1074664487.db2.gz XKDIAXTWHNPPJO-MRXNPFEDSA-N 1 2 400.483 1.553 20 0 HCADLO C[N@@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428770428 1074698854 /nfs/dbraw/zinc/69/88/54/1074698854.db2.gz FMKDPBAUOOSQPO-KRWDZBQOSA-N 1 2 423.539 0.328 20 0 HCADLO C[N@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428770428 1074698849 /nfs/dbraw/zinc/69/88/49/1074698849.db2.gz FMKDPBAUOOSQPO-KRWDZBQOSA-N 1 2 423.539 0.328 20 0 HCADLO C[N@@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428770429 1074698931 /nfs/dbraw/zinc/69/89/31/1074698931.db2.gz FMKDPBAUOOSQPO-QGZVFWFLSA-N 1 2 423.539 0.328 20 0 HCADLO C[N@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428770429 1074698925 /nfs/dbraw/zinc/69/89/25/1074698925.db2.gz FMKDPBAUOOSQPO-QGZVFWFLSA-N 1 2 423.539 0.328 20 0 HCADLO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428772176 1074705014 /nfs/dbraw/zinc/70/50/14/1074705014.db2.gz KVJACHPZVUQXKE-GOSISDBHSA-N 1 2 410.540 0.423 20 0 HCADLO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428772177 1074704728 /nfs/dbraw/zinc/70/47/28/1074704728.db2.gz KVJACHPZVUQXKE-SFHVURJKSA-N 1 2 410.540 0.423 20 0 HCADLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428773226 1074704435 /nfs/dbraw/zinc/70/44/35/1074704435.db2.gz PZIPWDFDVLQTJH-INIZCTEOSA-N 1 2 411.524 0.772 20 0 HCADLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428773226 1074704429 /nfs/dbraw/zinc/70/44/29/1074704429.db2.gz PZIPWDFDVLQTJH-INIZCTEOSA-N 1 2 411.524 0.772 20 0 HCADLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428773228 1074704414 /nfs/dbraw/zinc/70/44/14/1074704414.db2.gz PZIPWDFDVLQTJH-MRXNPFEDSA-N 1 2 411.524 0.772 20 0 HCADLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428773228 1074704408 /nfs/dbraw/zinc/70/44/08/1074704408.db2.gz PZIPWDFDVLQTJH-MRXNPFEDSA-N 1 2 411.524 0.772 20 0 HCADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428774200 1074726382 /nfs/dbraw/zinc/72/63/82/1074726382.db2.gz UZAGSVWLFDTJOS-CVEARBPZSA-N 1 2 411.524 0.641 20 0 HCADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428774200 1074726375 /nfs/dbraw/zinc/72/63/75/1074726375.db2.gz UZAGSVWLFDTJOS-CVEARBPZSA-N 1 2 411.524 0.641 20 0 HCADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428774201 1074726139 /nfs/dbraw/zinc/72/61/39/1074726139.db2.gz UZAGSVWLFDTJOS-HOTGVXAUSA-N 1 2 411.524 0.641 20 0 HCADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428774201 1074726128 /nfs/dbraw/zinc/72/61/28/1074726128.db2.gz UZAGSVWLFDTJOS-HOTGVXAUSA-N 1 2 411.524 0.641 20 0 HCADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428774202 1074726269 /nfs/dbraw/zinc/72/62/69/1074726269.db2.gz UZAGSVWLFDTJOS-HZPDHXFCSA-N 1 2 411.524 0.641 20 0 HCADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428774202 1074726261 /nfs/dbraw/zinc/72/62/61/1074726261.db2.gz UZAGSVWLFDTJOS-HZPDHXFCSA-N 1 2 411.524 0.641 20 0 HCADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428774203 1074726465 /nfs/dbraw/zinc/72/64/65/1074726465.db2.gz UZAGSVWLFDTJOS-JKSUJKDBSA-N 1 2 411.524 0.641 20 0 HCADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428774203 1074726455 /nfs/dbraw/zinc/72/64/55/1074726455.db2.gz UZAGSVWLFDTJOS-JKSUJKDBSA-N 1 2 411.524 0.641 20 0 HCADLO C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428774242 1074725221 /nfs/dbraw/zinc/72/52/21/1074725221.db2.gz VGBXPFUPJRTTJD-GOSISDBHSA-N 1 2 405.524 0.497 20 0 HCADLO C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428774242 1074725215 /nfs/dbraw/zinc/72/52/15/1074725215.db2.gz VGBXPFUPJRTTJD-GOSISDBHSA-N 1 2 405.524 0.497 20 0 HCADLO C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428774243 1074725463 /nfs/dbraw/zinc/72/54/63/1074725463.db2.gz VGBXPFUPJRTTJD-SFHVURJKSA-N 1 2 405.524 0.497 20 0 HCADLO C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428774243 1074725454 /nfs/dbraw/zinc/72/54/54/1074725454.db2.gz VGBXPFUPJRTTJD-SFHVURJKSA-N 1 2 405.524 0.497 20 0 HCADLO C[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428774533 1074738237 /nfs/dbraw/zinc/73/82/37/1074738237.db2.gz XCKHCVUUJIMXRJ-KRWDZBQOSA-N 1 2 414.959 0.954 20 0 HCADLO C[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428774533 1074738232 /nfs/dbraw/zinc/73/82/32/1074738232.db2.gz XCKHCVUUJIMXRJ-KRWDZBQOSA-N 1 2 414.959 0.954 20 0 HCADLO C[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428774534 1074738290 /nfs/dbraw/zinc/73/82/90/1074738290.db2.gz XCKHCVUUJIMXRJ-QGZVFWFLSA-N 1 2 414.959 0.954 20 0 HCADLO C[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428774534 1074738284 /nfs/dbraw/zinc/73/82/84/1074738284.db2.gz XCKHCVUUJIMXRJ-QGZVFWFLSA-N 1 2 414.959 0.954 20 0 HCADLO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428775831 1074743162 /nfs/dbraw/zinc/74/31/62/1074743162.db2.gz CIJCZKFHHIOVGD-GOSISDBHSA-N 1 2 422.551 0.505 20 0 HCADLO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428775831 1074743154 /nfs/dbraw/zinc/74/31/54/1074743154.db2.gz CIJCZKFHHIOVGD-GOSISDBHSA-N 1 2 422.551 0.505 20 0 HCADLO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428775832 1074743047 /nfs/dbraw/zinc/74/30/47/1074743047.db2.gz CIJCZKFHHIOVGD-SFHVURJKSA-N 1 2 422.551 0.505 20 0 HCADLO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428775832 1074743039 /nfs/dbraw/zinc/74/30/39/1074743039.db2.gz CIJCZKFHHIOVGD-SFHVURJKSA-N 1 2 422.551 0.505 20 0 HCADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428778121 1074751952 /nfs/dbraw/zinc/75/19/52/1074751952.db2.gz BCRSPYJDAMQHJE-INIZCTEOSA-N 1 2 402.561 0.058 20 0 HCADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428778121 1074751948 /nfs/dbraw/zinc/75/19/48/1074751948.db2.gz BCRSPYJDAMQHJE-INIZCTEOSA-N 1 2 402.561 0.058 20 0 HCADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428778123 1074751723 /nfs/dbraw/zinc/75/17/23/1074751723.db2.gz BCRSPYJDAMQHJE-MRXNPFEDSA-N 1 2 402.561 0.058 20 0 HCADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428778123 1074751715 /nfs/dbraw/zinc/75/17/15/1074751715.db2.gz BCRSPYJDAMQHJE-MRXNPFEDSA-N 1 2 402.561 0.058 20 0 HCADLO C[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428778261 1074765039 /nfs/dbraw/zinc/76/50/39/1074765039.db2.gz BHBIDEZVGKOTAZ-KRWDZBQOSA-N 1 2 408.524 0.161 20 0 HCADLO C[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428778261 1074765029 /nfs/dbraw/zinc/76/50/29/1074765029.db2.gz BHBIDEZVGKOTAZ-KRWDZBQOSA-N 1 2 408.524 0.161 20 0 HCADLO C[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428778262 1074765106 /nfs/dbraw/zinc/76/51/06/1074765106.db2.gz BHBIDEZVGKOTAZ-QGZVFWFLSA-N 1 2 408.524 0.161 20 0 HCADLO C[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428778262 1074765099 /nfs/dbraw/zinc/76/50/99/1074765099.db2.gz BHBIDEZVGKOTAZ-QGZVFWFLSA-N 1 2 408.524 0.161 20 0 HCADLO COc1cc(CNC(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC ZINC000428779106 1074762184 /nfs/dbraw/zinc/76/21/84/1074762184.db2.gz NJPNZSBRHNPLRZ-AWEZNQCLSA-N 1 2 415.512 0.294 20 0 HCADLO COc1cc(CNC(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC ZINC000428779106 1074762175 /nfs/dbraw/zinc/76/21/75/1074762175.db2.gz NJPNZSBRHNPLRZ-AWEZNQCLSA-N 1 2 415.512 0.294 20 0 HCADLO COc1cc(CNC(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC ZINC000428779109 1074762244 /nfs/dbraw/zinc/76/22/44/1074762244.db2.gz NJPNZSBRHNPLRZ-CQSZACIVSA-N 1 2 415.512 0.294 20 0 HCADLO COc1cc(CNC(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC ZINC000428779109 1074762239 /nfs/dbraw/zinc/76/22/39/1074762239.db2.gz NJPNZSBRHNPLRZ-CQSZACIVSA-N 1 2 415.512 0.294 20 0 HCADLO C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428781936 1074816594 /nfs/dbraw/zinc/81/65/94/1074816594.db2.gz SRQUIVSEBKAWAR-GOSISDBHSA-N 1 2 422.551 0.391 20 0 HCADLO C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428781936 1074816589 /nfs/dbraw/zinc/81/65/89/1074816589.db2.gz SRQUIVSEBKAWAR-GOSISDBHSA-N 1 2 422.551 0.391 20 0 HCADLO C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428781937 1074816635 /nfs/dbraw/zinc/81/66/35/1074816635.db2.gz SRQUIVSEBKAWAR-SFHVURJKSA-N 1 2 422.551 0.391 20 0 HCADLO C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428781937 1074816634 /nfs/dbraw/zinc/81/66/34/1074816634.db2.gz SRQUIVSEBKAWAR-SFHVURJKSA-N 1 2 422.551 0.391 20 0 HCADLO COc1cc(OC)c(CNC(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 ZINC000428783282 1075094640 /nfs/dbraw/zinc/09/46/40/1075094640.db2.gz JQJQGXPPLNDGLH-CYBMUJFWSA-N 1 2 415.512 0.294 20 0 HCADLO COc1cc(OC)c(CNC(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 ZINC000428783282 1075094637 /nfs/dbraw/zinc/09/46/37/1075094637.db2.gz JQJQGXPPLNDGLH-CYBMUJFWSA-N 1 2 415.512 0.294 20 0 HCADLO COc1cc(OC)c(CNC(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 ZINC000428783284 1075094760 /nfs/dbraw/zinc/09/47/60/1075094760.db2.gz JQJQGXPPLNDGLH-ZDUSSCGKSA-N 1 2 415.512 0.294 20 0 HCADLO COc1cc(OC)c(CNC(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(OC)c1 ZINC000428783284 1075094756 /nfs/dbraw/zinc/09/47/56/1075094756.db2.gz JQJQGXPPLNDGLH-ZDUSSCGKSA-N 1 2 415.512 0.294 20 0 HCADLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785586 1075334321 /nfs/dbraw/zinc/33/43/21/1075334321.db2.gz QLEGAGOWTRQGGR-KRWDZBQOSA-N 1 2 416.588 0.353 20 0 HCADLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785586 1075334316 /nfs/dbraw/zinc/33/43/16/1075334316.db2.gz QLEGAGOWTRQGGR-KRWDZBQOSA-N 1 2 416.588 0.353 20 0 HCADLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785591 1075334249 /nfs/dbraw/zinc/33/42/49/1075334249.db2.gz QLEGAGOWTRQGGR-QGZVFWFLSA-N 1 2 416.588 0.353 20 0 HCADLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785591 1075334243 /nfs/dbraw/zinc/33/42/43/1075334243.db2.gz QLEGAGOWTRQGGR-QGZVFWFLSA-N 1 2 416.588 0.353 20 0 HCADLO C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428790965 1075395748 /nfs/dbraw/zinc/39/57/48/1075395748.db2.gz YXFCARJDIFFYPD-CYBMUJFWSA-N 1 2 412.468 0.072 20 0 HCADLO C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428790965 1075395745 /nfs/dbraw/zinc/39/57/45/1075395745.db2.gz YXFCARJDIFFYPD-CYBMUJFWSA-N 1 2 412.468 0.072 20 0 HCADLO C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428790966 1075395801 /nfs/dbraw/zinc/39/58/01/1075395801.db2.gz YXFCARJDIFFYPD-ZDUSSCGKSA-N 1 2 412.468 0.072 20 0 HCADLO C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428790966 1075395796 /nfs/dbraw/zinc/39/57/96/1075395796.db2.gz YXFCARJDIFFYPD-ZDUSSCGKSA-N 1 2 412.468 0.072 20 0 HCADLO C[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428792926 1075416047 /nfs/dbraw/zinc/41/60/47/1075416047.db2.gz ITKIDBANZAIDPI-DZPQGLOJSA-N 1 2 412.556 0.747 20 0 HCADLO C[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428792926 1075416042 /nfs/dbraw/zinc/41/60/42/1075416042.db2.gz ITKIDBANZAIDPI-DZPQGLOJSA-N 1 2 412.556 0.747 20 0 HCADLO C[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428792928 1075415903 /nfs/dbraw/zinc/41/59/03/1075415903.db2.gz ITKIDBANZAIDPI-LZUXJJCOSA-N 1 2 412.556 0.747 20 0 HCADLO C[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428792928 1075415891 /nfs/dbraw/zinc/41/58/91/1075415891.db2.gz ITKIDBANZAIDPI-LZUXJJCOSA-N 1 2 412.556 0.747 20 0 HCADLO CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428794105 1075417509 /nfs/dbraw/zinc/41/75/09/1075417509.db2.gz MHCZYXCGCDFPNO-IBGZPJMESA-N 1 2 424.567 0.101 20 0 HCADLO CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428794106 1075417591 /nfs/dbraw/zinc/41/75/91/1075417591.db2.gz MHCZYXCGCDFPNO-LJQANCHMSA-N 1 2 424.567 0.101 20 0 HCADLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428795799 1075451145 /nfs/dbraw/zinc/45/11/45/1075451145.db2.gz YQUYLAADQFHVFO-GOSISDBHSA-N 1 2 409.552 0.817 20 0 HCADLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428795799 1075451137 /nfs/dbraw/zinc/45/11/37/1075451137.db2.gz YQUYLAADQFHVFO-GOSISDBHSA-N 1 2 409.552 0.817 20 0 HCADLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428795800 1075451023 /nfs/dbraw/zinc/45/10/23/1075451023.db2.gz YQUYLAADQFHVFO-SFHVURJKSA-N 1 2 409.552 0.817 20 0 HCADLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428795800 1075451009 /nfs/dbraw/zinc/45/10/09/1075451009.db2.gz YQUYLAADQFHVFO-SFHVURJKSA-N 1 2 409.552 0.817 20 0 HCADLO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428796348 1075484613 /nfs/dbraw/zinc/48/46/13/1075484613.db2.gz WTLGRBKJMSEYET-GOSISDBHSA-N 1 2 405.524 0.513 20 0 HCADLO C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428796348 1075484611 /nfs/dbraw/zinc/48/46/11/1075484611.db2.gz WTLGRBKJMSEYET-GOSISDBHSA-N 1 2 405.524 0.513 20 0 HCADLO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428796349 1075484641 /nfs/dbraw/zinc/48/46/41/1075484641.db2.gz WTLGRBKJMSEYET-SFHVURJKSA-N 1 2 405.524 0.513 20 0 HCADLO C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428796349 1075484640 /nfs/dbraw/zinc/48/46/40/1075484640.db2.gz WTLGRBKJMSEYET-SFHVURJKSA-N 1 2 405.524 0.513 20 0 HCADLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)[C@@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000428798043 1075486050 /nfs/dbraw/zinc/48/60/50/1075486050.db2.gz GJHRCXKTLMJKKT-GOSISDBHSA-N 1 2 424.567 0.305 20 0 HCADLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)[C@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000428798044 1075485996 /nfs/dbraw/zinc/48/59/96/1075485996.db2.gz GJHRCXKTLMJKKT-SFHVURJKSA-N 1 2 424.567 0.305 20 0 HCADLO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428805653 1075628433 /nfs/dbraw/zinc/62/84/33/1075628433.db2.gz OZZORKURXQQSDM-BRWVUGGUSA-N 1 2 414.510 0.429 20 0 HCADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428805655 1075628322 /nfs/dbraw/zinc/62/83/22/1075628322.db2.gz OZZORKURXQQSDM-IKGGRYGDSA-N 1 2 414.510 0.429 20 0 HCADLO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428805657 1075628384 /nfs/dbraw/zinc/62/83/84/1075628384.db2.gz OZZORKURXQQSDM-IXDOHACOSA-N 1 2 414.510 0.429 20 0 HCADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428805659 1075628451 /nfs/dbraw/zinc/62/84/51/1075628451.db2.gz OZZORKURXQQSDM-ZACQAIPSSA-N 1 2 414.510 0.429 20 0 HCADLO CC(C)(C)N1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428807388 1075665170 /nfs/dbraw/zinc/66/51/70/1075665170.db2.gz RRRCUQJCKKSNTA-INIZCTEOSA-N 1 2 416.526 0.819 20 0 HCADLO CC(C)(C)N1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428807391 1075665108 /nfs/dbraw/zinc/66/51/08/1075665108.db2.gz RRRCUQJCKKSNTA-MRXNPFEDSA-N 1 2 416.526 0.819 20 0 HCADLO C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428809306 1075703733 /nfs/dbraw/zinc/70/37/33/1075703733.db2.gz WEJYBYKMHKXTQY-GOSISDBHSA-N 1 2 422.551 0.373 20 0 HCADLO C[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428809306 1075703727 /nfs/dbraw/zinc/70/37/27/1075703727.db2.gz WEJYBYKMHKXTQY-GOSISDBHSA-N 1 2 422.551 0.373 20 0 HCADLO C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428809313 1075703540 /nfs/dbraw/zinc/70/35/40/1075703540.db2.gz WEJYBYKMHKXTQY-SFHVURJKSA-N 1 2 422.551 0.373 20 0 HCADLO C[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428809313 1075703533 /nfs/dbraw/zinc/70/35/33/1075703533.db2.gz WEJYBYKMHKXTQY-SFHVURJKSA-N 1 2 422.551 0.373 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000428812206 1075706446 /nfs/dbraw/zinc/70/64/46/1075706446.db2.gz LZWIHARBNDSMRW-KRWDZBQOSA-N 1 2 402.495 0.960 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000428812207 1075706552 /nfs/dbraw/zinc/70/65/52/1075706552.db2.gz LZWIHARBNDSMRW-QGZVFWFLSA-N 1 2 402.495 0.960 20 0 HCADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428818682 1077800628 /nfs/dbraw/zinc/80/06/28/1077800628.db2.gz PSBGYDCBTVQGQO-DLBZAZTESA-N 1 2 409.508 0.079 20 0 HCADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428818682 1077800626 /nfs/dbraw/zinc/80/06/26/1077800626.db2.gz PSBGYDCBTVQGQO-DLBZAZTESA-N 1 2 409.508 0.079 20 0 HCADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428818684 1077804047 /nfs/dbraw/zinc/80/40/47/1077804047.db2.gz PSBGYDCBTVQGQO-IAGOWNOFSA-N 1 2 409.508 0.079 20 0 HCADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428818684 1077804044 /nfs/dbraw/zinc/80/40/44/1077804044.db2.gz PSBGYDCBTVQGQO-IAGOWNOFSA-N 1 2 409.508 0.079 20 0 HCADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428818686 1077803965 /nfs/dbraw/zinc/80/39/65/1077803965.db2.gz PSBGYDCBTVQGQO-IRXDYDNUSA-N 1 2 409.508 0.079 20 0 HCADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428818686 1077803964 /nfs/dbraw/zinc/80/39/64/1077803964.db2.gz PSBGYDCBTVQGQO-IRXDYDNUSA-N 1 2 409.508 0.079 20 0 HCADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428818688 1077804005 /nfs/dbraw/zinc/80/40/05/1077804005.db2.gz PSBGYDCBTVQGQO-SJORKVTESA-N 1 2 409.508 0.079 20 0 HCADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428818688 1077804002 /nfs/dbraw/zinc/80/40/02/1077804002.db2.gz PSBGYDCBTVQGQO-SJORKVTESA-N 1 2 409.508 0.079 20 0 HCADLO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428820262 1077827019 /nfs/dbraw/zinc/82/70/19/1077827019.db2.gz SBZRRUOUGLTMHJ-GOSISDBHSA-N 1 2 422.551 0.829 20 0 HCADLO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428820262 1077827017 /nfs/dbraw/zinc/82/70/17/1077827017.db2.gz SBZRRUOUGLTMHJ-GOSISDBHSA-N 1 2 422.551 0.829 20 0 HCADLO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428820265 1077827037 /nfs/dbraw/zinc/82/70/37/1077827037.db2.gz SBZRRUOUGLTMHJ-SFHVURJKSA-N 1 2 422.551 0.829 20 0 HCADLO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428820265 1077827034 /nfs/dbraw/zinc/82/70/34/1077827034.db2.gz SBZRRUOUGLTMHJ-SFHVURJKSA-N 1 2 422.551 0.829 20 0 HCADLO CC(C)N1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428838473 1080362178 /nfs/dbraw/zinc/36/21/78/1080362178.db2.gz HEJPOKZBHYFIAH-INIZCTEOSA-N 1 2 402.499 0.429 20 0 HCADLO CC(C)N1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000428838477 1080360133 /nfs/dbraw/zinc/36/01/33/1080360133.db2.gz HEJPOKZBHYFIAH-MRXNPFEDSA-N 1 2 402.499 0.429 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000428839745 1080366144 /nfs/dbraw/zinc/36/61/44/1080366144.db2.gz MHKJWWURZOXNLQ-KRWDZBQOSA-N 1 2 402.495 0.960 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000428839747 1080366192 /nfs/dbraw/zinc/36/61/92/1080366192.db2.gz MHKJWWURZOXNLQ-QGZVFWFLSA-N 1 2 402.495 0.960 20 0 HCADLO O=C(CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000428845095 1080463333 /nfs/dbraw/zinc/46/33/33/1080463333.db2.gz YHOQELVORRXVHR-HNNXBMFYSA-N 1 2 400.483 0.183 20 0 HCADLO O=C(CCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000428845096 1080463425 /nfs/dbraw/zinc/46/34/25/1080463425.db2.gz YHOQELVORRXVHR-OAHLLOKOSA-N 1 2 400.483 0.183 20 0 HCADLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000428860216 1081281997 /nfs/dbraw/zinc/28/19/97/1081281997.db2.gz KKVNCRHTJICLOS-INIZCTEOSA-N 1 2 411.524 0.853 20 0 HCADLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000428860216 1081281984 /nfs/dbraw/zinc/28/19/84/1081281984.db2.gz KKVNCRHTJICLOS-INIZCTEOSA-N 1 2 411.524 0.853 20 0 HCADLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000428860217 1081282153 /nfs/dbraw/zinc/28/21/53/1081282153.db2.gz KKVNCRHTJICLOS-MRXNPFEDSA-N 1 2 411.524 0.853 20 0 HCADLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000428860217 1081282146 /nfs/dbraw/zinc/28/21/46/1081282146.db2.gz KKVNCRHTJICLOS-MRXNPFEDSA-N 1 2 411.524 0.853 20 0 HCADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428870892 1081294515 /nfs/dbraw/zinc/29/45/15/1081294515.db2.gz GLASNFAIKFFBRM-INIZCTEOSA-N 1 2 416.530 0.751 20 0 HCADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428870892 1081294511 /nfs/dbraw/zinc/29/45/11/1081294511.db2.gz GLASNFAIKFFBRM-INIZCTEOSA-N 1 2 416.530 0.751 20 0 HCADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428870897 1081294887 /nfs/dbraw/zinc/29/48/87/1081294887.db2.gz GLASNFAIKFFBRM-MRXNPFEDSA-N 1 2 416.530 0.751 20 0 HCADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428870897 1081294876 /nfs/dbraw/zinc/29/48/76/1081294876.db2.gz GLASNFAIKFFBRM-MRXNPFEDSA-N 1 2 416.530 0.751 20 0 HCADLO C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1)[NH+]1CCOCC1 ZINC000428873513 1081296908 /nfs/dbraw/zinc/29/69/08/1081296908.db2.gz WMLJUJOETZDCHA-BBWFWOEESA-N 1 2 416.530 0.749 20 0 HCADLO C[C@H]([C@H](C)NC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1)[NH+]1CCOCC1 ZINC000428873514 1081296885 /nfs/dbraw/zinc/29/68/85/1081296885.db2.gz WMLJUJOETZDCHA-GVDBMIGSSA-N 1 2 416.530 0.749 20 0 HCADLO C[C@H](NC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@H](C)[NH+]1CCOCC1 ZINC000428873515 1081296769 /nfs/dbraw/zinc/29/67/69/1081296769.db2.gz WMLJUJOETZDCHA-ULQDDVLXSA-N 1 2 416.530 0.749 20 0 HCADLO C[C@H](NC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1)[C@H](C)[NH+]1CCOCC1 ZINC000428873516 1081296865 /nfs/dbraw/zinc/29/68/65/1081296865.db2.gz WMLJUJOETZDCHA-YESZJQIVSA-N 1 2 416.530 0.749 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCn2c(nnc2C2CCCC2)C1 ZINC000428875483 1081298971 /nfs/dbraw/zinc/29/89/71/1081298971.db2.gz GBJGNOOVHNPYDQ-KRWDZBQOSA-N 1 2 416.526 0.459 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCn2c(nnc2C2CCCC2)C1 ZINC000428875485 1081298782 /nfs/dbraw/zinc/29/87/82/1081298782.db2.gz GBJGNOOVHNPYDQ-QGZVFWFLSA-N 1 2 416.526 0.459 20 0 HCADLO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000428879883 1081303410 /nfs/dbraw/zinc/30/34/10/1081303410.db2.gz IENMPAMFCTYOGS-ACJLOTCBSA-N 1 2 414.491 0.813 20 0 HCADLO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000428879884 1081303474 /nfs/dbraw/zinc/30/34/74/1081303474.db2.gz IENMPAMFCTYOGS-FZKQIMNGSA-N 1 2 414.491 0.813 20 0 HCADLO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000428879885 1081303539 /nfs/dbraw/zinc/30/35/39/1081303539.db2.gz IENMPAMFCTYOGS-SCLBCKFNSA-N 1 2 414.491 0.813 20 0 HCADLO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC000428879886 1081303612 /nfs/dbraw/zinc/30/36/12/1081303612.db2.gz IENMPAMFCTYOGS-UGSOOPFHSA-N 1 2 414.491 0.813 20 0 HCADLO O=C(Cn1cc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cn1)NCCO ZINC000428892533 1081318287 /nfs/dbraw/zinc/31/82/87/1081318287.db2.gz OQSOFSSTMJYQJJ-UHFFFAOYSA-N 1 2 413.438 0.911 20 0 HCADLO O=C(C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2)N1CCN(c2cnccn2)CC1 ZINC000428921537 1081340814 /nfs/dbraw/zinc/34/08/14/1081340814.db2.gz BUCVOYHSXMVJHL-UHFFFAOYSA-N 1 2 407.540 0.416 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000428924939 1081342401 /nfs/dbraw/zinc/34/24/01/1081342401.db2.gz VJASFRRWURTKCO-KBPBESRZSA-N 1 2 402.421 0.696 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000428924940 1081342433 /nfs/dbraw/zinc/34/24/33/1081342433.db2.gz VJASFRRWURTKCO-KGLIPLIRSA-N 1 2 402.421 0.696 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000428924941 1081342861 /nfs/dbraw/zinc/34/28/61/1081342861.db2.gz VJASFRRWURTKCO-UONOGXRCSA-N 1 2 402.421 0.696 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000428924942 1081342802 /nfs/dbraw/zinc/34/28/02/1081342802.db2.gz VJASFRRWURTKCO-ZIAGYGMSSA-N 1 2 402.421 0.696 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1)c(=O)n2C ZINC000428929000 1081344402 /nfs/dbraw/zinc/34/44/02/1081344402.db2.gz IXVWEXRQKDJHOS-LLVKDONJSA-N 1 2 403.405 0.866 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1)c(=O)n2C ZINC000428929000 1081344395 /nfs/dbraw/zinc/34/43/95/1081344395.db2.gz IXVWEXRQKDJHOS-LLVKDONJSA-N 1 2 403.405 0.866 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1)c(=O)n2C ZINC000428929001 1081344518 /nfs/dbraw/zinc/34/45/18/1081344518.db2.gz IXVWEXRQKDJHOS-NSHDSACASA-N 1 2 403.405 0.866 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1)c(=O)n2C ZINC000428929001 1081344512 /nfs/dbraw/zinc/34/45/12/1081344512.db2.gz IXVWEXRQKDJHOS-NSHDSACASA-N 1 2 403.405 0.866 20 0 HCADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CCO1 ZINC000428956790 1081352260 /nfs/dbraw/zinc/35/22/60/1081352260.db2.gz YZYBKUGPHURGAZ-INIZCTEOSA-N 1 2 416.530 0.751 20 0 HCADLO CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CCO1 ZINC000428956790 1081352254 /nfs/dbraw/zinc/35/22/54/1081352254.db2.gz YZYBKUGPHURGAZ-INIZCTEOSA-N 1 2 416.530 0.751 20 0 HCADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CCO1 ZINC000428956791 1081352703 /nfs/dbraw/zinc/35/27/03/1081352703.db2.gz YZYBKUGPHURGAZ-MRXNPFEDSA-N 1 2 416.530 0.751 20 0 HCADLO CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CCO1 ZINC000428956791 1081352696 /nfs/dbraw/zinc/35/26/96/1081352696.db2.gz YZYBKUGPHURGAZ-MRXNPFEDSA-N 1 2 416.530 0.751 20 0 HCADLO COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428968233 1081356059 /nfs/dbraw/zinc/35/60/59/1081356059.db2.gz OKNICZZONVQQSR-AWEZNQCLSA-N 1 2 409.512 0.287 20 0 HCADLO COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428968234 1081356087 /nfs/dbraw/zinc/35/60/87/1081356087.db2.gz OKNICZZONVQQSR-CQSZACIVSA-N 1 2 409.512 0.287 20 0 HCADLO CC[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(=O)N1CCOCC1 ZINC000428980126 1081359213 /nfs/dbraw/zinc/35/92/13/1081359213.db2.gz NQSMFYLUQSGNPX-CRAIPNDOSA-N 1 2 400.545 0.131 20 0 HCADLO CC[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(=O)N1CCOCC1 ZINC000428980127 1081359399 /nfs/dbraw/zinc/35/93/99/1081359399.db2.gz NQSMFYLUQSGNPX-MAUKXSAKSA-N 1 2 400.545 0.131 20 0 HCADLO CC[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(=O)N1CCOCC1 ZINC000428980128 1081359474 /nfs/dbraw/zinc/35/94/74/1081359474.db2.gz NQSMFYLUQSGNPX-QAPCUYQASA-N 1 2 400.545 0.131 20 0 HCADLO CC[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(=O)N1CCOCC1 ZINC000428980129 1081359379 /nfs/dbraw/zinc/35/93/79/1081359379.db2.gz NQSMFYLUQSGNPX-YJBOKZPZSA-N 1 2 400.545 0.131 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428982361 1081360142 /nfs/dbraw/zinc/36/01/42/1081360142.db2.gz MPUGRRSWQJOJAT-CVEARBPZSA-N 1 2 402.503 0.361 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428982361 1081360133 /nfs/dbraw/zinc/36/01/33/1081360133.db2.gz MPUGRRSWQJOJAT-CVEARBPZSA-N 1 2 402.503 0.361 20 0 HCADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428982362 1081360085 /nfs/dbraw/zinc/36/00/85/1081360085.db2.gz MPUGRRSWQJOJAT-HOTGVXAUSA-N 1 2 402.503 0.361 20 0 HCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428982362 1081360077 /nfs/dbraw/zinc/36/00/77/1081360077.db2.gz MPUGRRSWQJOJAT-HOTGVXAUSA-N 1 2 402.503 0.361 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428982363 1081360203 /nfs/dbraw/zinc/36/02/03/1081360203.db2.gz MPUGRRSWQJOJAT-HZPDHXFCSA-N 1 2 402.503 0.361 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428982363 1081360194 /nfs/dbraw/zinc/36/01/94/1081360194.db2.gz MPUGRRSWQJOJAT-HZPDHXFCSA-N 1 2 402.503 0.361 20 0 HCADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428982364 1081360228 /nfs/dbraw/zinc/36/02/28/1081360228.db2.gz MPUGRRSWQJOJAT-JKSUJKDBSA-N 1 2 402.503 0.361 20 0 HCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000428982364 1081360222 /nfs/dbraw/zinc/36/02/22/1081360222.db2.gz MPUGRRSWQJOJAT-JKSUJKDBSA-N 1 2 402.503 0.361 20 0 HCADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCC[C@@]4(C3)NC(=O)NC4=O)n2)CC1 ZINC000428985963 1081360796 /nfs/dbraw/zinc/36/07/96/1081360796.db2.gz MDTJLPYYGSUPIX-IBGZPJMESA-N 1 2 420.539 0.988 20 0 HCADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCC[C@]4(C3)NC(=O)NC4=O)n2)CC1 ZINC000428985964 1081360853 /nfs/dbraw/zinc/36/08/53/1081360853.db2.gz MDTJLPYYGSUPIX-LJQANCHMSA-N 1 2 420.539 0.988 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000429000036 1081365156 /nfs/dbraw/zinc/36/51/56/1081365156.db2.gz FHLYWCXRABJPRK-CVEARBPZSA-N 1 2 419.498 0.842 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000429000036 1081365146 /nfs/dbraw/zinc/36/51/46/1081365146.db2.gz FHLYWCXRABJPRK-CVEARBPZSA-N 1 2 419.498 0.842 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000429000039 1081365352 /nfs/dbraw/zinc/36/53/52/1081365352.db2.gz FHLYWCXRABJPRK-HOTGVXAUSA-N 1 2 419.498 0.842 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000429000039 1081365345 /nfs/dbraw/zinc/36/53/45/1081365345.db2.gz FHLYWCXRABJPRK-HOTGVXAUSA-N 1 2 419.498 0.842 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000429000042 1081365231 /nfs/dbraw/zinc/36/52/31/1081365231.db2.gz FHLYWCXRABJPRK-HZPDHXFCSA-N 1 2 419.498 0.842 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000429000042 1081365223 /nfs/dbraw/zinc/36/52/23/1081365223.db2.gz FHLYWCXRABJPRK-HZPDHXFCSA-N 1 2 419.498 0.842 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000429000045 1081365264 /nfs/dbraw/zinc/36/52/64/1081365264.db2.gz FHLYWCXRABJPRK-JKSUJKDBSA-N 1 2 419.498 0.842 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000429000045 1081365256 /nfs/dbraw/zinc/36/52/56/1081365256.db2.gz FHLYWCXRABJPRK-JKSUJKDBSA-N 1 2 419.498 0.842 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000429001035 1081365939 /nfs/dbraw/zinc/36/59/39/1081365939.db2.gz WJZZQQSRCOLLHW-UHFFFAOYSA-N 1 2 417.963 0.830 20 0 HCADLO CC(C)NS(=O)(=O)NCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000429001035 1081365930 /nfs/dbraw/zinc/36/59/30/1081365930.db2.gz WJZZQQSRCOLLHW-UHFFFAOYSA-N 1 2 417.963 0.830 20 0 HCADLO CS(=O)(=O)C[C@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000429019903 1081371348 /nfs/dbraw/zinc/37/13/48/1081371348.db2.gz KFFFOHPDQLQASW-KRWDZBQOSA-N 1 2 409.552 0.502 20 0 HCADLO CS(=O)(=O)C[C@@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000429019904 1081371271 /nfs/dbraw/zinc/37/12/71/1081371271.db2.gz KFFFOHPDQLQASW-QGZVFWFLSA-N 1 2 409.552 0.502 20 0 HCADLO FC(F)(F)Cn1nnnc1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000429042903 1081378859 /nfs/dbraw/zinc/37/88/59/1081378859.db2.gz GJNCCBLZSUNHJJ-UHFFFAOYSA-N 1 2 413.408 0.184 20 0 HCADLO CO[C@H](C)c1noc(CN2CCCN(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000429482755 1074619737 /nfs/dbraw/zinc/61/97/37/1074619737.db2.gz VCJPRILIPYOEAA-DLBZAZTESA-N 1 2 423.562 0.630 20 0 HCADLO CO[C@H](C)c1noc(CN2CCCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000429482756 1074619812 /nfs/dbraw/zinc/61/98/12/1074619812.db2.gz VCJPRILIPYOEAA-IAGOWNOFSA-N 1 2 423.562 0.630 20 0 HCADLO CO[C@@H](C)c1noc(CN2CCCN(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000429482757 1074619707 /nfs/dbraw/zinc/61/97/07/1074619707.db2.gz VCJPRILIPYOEAA-IRXDYDNUSA-N 1 2 423.562 0.630 20 0 HCADLO CO[C@@H](C)c1noc(CN2CCCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000429482758 1074619767 /nfs/dbraw/zinc/61/97/67/1074619767.db2.gz VCJPRILIPYOEAA-SJORKVTESA-N 1 2 423.562 0.630 20 0 HCADLO COC(=O)c1cc(NC(=O)[C@@H](C)[NH+]2CCC(NC(N)=O)CC2)cc(C(=O)OC)c1 ZINC000429781217 1074687084 /nfs/dbraw/zinc/68/70/84/1074687084.db2.gz DGBXBZHYECCTMR-LLVKDONJSA-N 1 2 406.439 0.720 20 0 HCADLO COC(=O)c1cc(NC(=O)[C@H](C)[NH+]2CCC(NC(N)=O)CC2)cc(C(=O)OC)c1 ZINC000429781218 1074687430 /nfs/dbraw/zinc/68/74/30/1074687430.db2.gz DGBXBZHYECCTMR-NSHDSACASA-N 1 2 406.439 0.720 20 0 HCADLO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[NH+]2CCC(NC(N)=O)CC2)c1 ZINC000429791145 1074692534 /nfs/dbraw/zinc/69/25/34/1074692534.db2.gz HWYZGGFWKTVERK-LLVKDONJSA-N 1 2 406.439 0.720 20 0 HCADLO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[NH+]2CCC(NC(N)=O)CC2)c1 ZINC000429791148 1074692519 /nfs/dbraw/zinc/69/25/19/1074692519.db2.gz HWYZGGFWKTVERK-NSHDSACASA-N 1 2 406.439 0.720 20 0 HCADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000429793193 1074681012 /nfs/dbraw/zinc/68/10/12/1074681012.db2.gz YCVBZLBAJNPIBR-UHFFFAOYSA-N 1 2 423.539 0.349 20 0 HCADLO COCCOc1ccc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000429794997 1074682683 /nfs/dbraw/zinc/68/26/83/1074682683.db2.gz XFMAUCBHGKZEMH-GOSISDBHSA-N 1 2 405.495 0.304 20 0 HCADLO COCCOc1ccc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000429794999 1074682826 /nfs/dbraw/zinc/68/28/26/1074682826.db2.gz XFMAUCBHGKZEMH-SFHVURJKSA-N 1 2 405.495 0.304 20 0 HCADLO O=C(N=c1ccn(CC[NH+]2CCOCC2)[nH]1)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000432963518 1077670401 /nfs/dbraw/zinc/67/04/01/1077670401.db2.gz WRUPQAXPYTXIRS-UHFFFAOYSA-N 1 2 422.493 0.808 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000443972707 1077962801 /nfs/dbraw/zinc/96/28/01/1077962801.db2.gz NKMQXEUFPQSSNA-LLVKDONJSA-N 1 2 404.452 0.336 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000443972712 1077963016 /nfs/dbraw/zinc/96/30/16/1077963016.db2.gz NKMQXEUFPQSSNA-NSHDSACASA-N 1 2 404.452 0.336 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000443977780 1077963674 /nfs/dbraw/zinc/96/36/74/1077963674.db2.gz FBTAKNCFXJCXDQ-HNNXBMFYSA-N 1 2 412.537 0.908 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000443977781 1077963900 /nfs/dbraw/zinc/96/39/00/1077963900.db2.gz FBTAKNCFXJCXDQ-OAHLLOKOSA-N 1 2 412.537 0.908 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000444196482 1078052764 /nfs/dbraw/zinc/05/27/64/1078052764.db2.gz MUNPAEBFNBQFBW-AWEZNQCLSA-N 1 2 401.558 0.688 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000444196484 1078052696 /nfs/dbraw/zinc/05/26/96/1078052696.db2.gz MUNPAEBFNBQFBW-CQSZACIVSA-N 1 2 401.558 0.688 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444657877 1078348379 /nfs/dbraw/zinc/34/83/79/1078348379.db2.gz AEQTVZCPUOWCIU-DZGCQCFKSA-N 1 2 419.507 0.592 20 0 HCADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444657880 1078348411 /nfs/dbraw/zinc/34/84/11/1078348411.db2.gz AEQTVZCPUOWCIU-HIFRSBDPSA-N 1 2 419.507 0.592 20 0 HCADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444657884 1078348436 /nfs/dbraw/zinc/34/84/36/1078348436.db2.gz AEQTVZCPUOWCIU-UKRRQHHQSA-N 1 2 419.507 0.592 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444657887 1078348356 /nfs/dbraw/zinc/34/83/56/1078348356.db2.gz AEQTVZCPUOWCIU-ZFWWWQNUSA-N 1 2 419.507 0.592 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000444663400 1078848269 /nfs/dbraw/zinc/84/82/69/1078848269.db2.gz OODAHHXFTOKFFI-CYBMUJFWSA-N 1 2 413.463 0.851 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000444663403 1078352461 /nfs/dbraw/zinc/35/24/61/1078352461.db2.gz OODAHHXFTOKFFI-ZDUSSCGKSA-N 1 2 413.463 0.851 20 0 HCADLO CCc1c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000444663876 1078352422 /nfs/dbraw/zinc/35/24/22/1078352422.db2.gz PREFAAWLAHWDNZ-CYBMUJFWSA-N 1 2 410.478 0.948 20 0 HCADLO CCc1c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000444663877 1078352546 /nfs/dbraw/zinc/35/25/46/1078352546.db2.gz PREFAAWLAHWDNZ-ZDUSSCGKSA-N 1 2 410.478 0.948 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C1 ZINC000444668878 1078353178 /nfs/dbraw/zinc/35/31/78/1078353178.db2.gz CGNYRPBVNMMCTH-GFCCVEGCSA-N 1 2 419.463 0.382 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C1 ZINC000444668879 1078353089 /nfs/dbraw/zinc/35/30/89/1078353089.db2.gz CGNYRPBVNMMCTH-LBPRGKRZSA-N 1 2 419.463 0.382 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)C1 ZINC000444896077 1080074494 /nfs/dbraw/zinc/07/44/94/1080074494.db2.gz COJQGJRLHOGMOU-HNNXBMFYSA-N 1 2 401.471 0.309 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)C1 ZINC000444896084 1080074429 /nfs/dbraw/zinc/07/44/29/1080074429.db2.gz COJQGJRLHOGMOU-OAHLLOKOSA-N 1 2 401.471 0.309 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000444907228 1080075017 /nfs/dbraw/zinc/07/50/17/1080075017.db2.gz YLHMATMBGLMAPJ-HNNXBMFYSA-N 1 2 401.471 0.887 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000444907232 1080074970 /nfs/dbraw/zinc/07/49/70/1080074970.db2.gz YLHMATMBGLMAPJ-OAHLLOKOSA-N 1 2 401.471 0.887 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000445093042 1080092278 /nfs/dbraw/zinc/09/22/78/1080092278.db2.gz OQZCTPCPUKNXJV-CVEARBPZSA-N 1 2 413.544 0.798 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000445093045 1078769408 /nfs/dbraw/zinc/76/94/08/1078769408.db2.gz OQZCTPCPUKNXJV-HOTGVXAUSA-N 1 2 413.544 0.798 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000445093046 1078769894 /nfs/dbraw/zinc/76/98/94/1078769894.db2.gz OQZCTPCPUKNXJV-HZPDHXFCSA-N 1 2 413.544 0.798 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000445093047 1078770010 /nfs/dbraw/zinc/77/00/10/1078770010.db2.gz OQZCTPCPUKNXJV-JKSUJKDBSA-N 1 2 413.544 0.798 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@H]4CC(=O)N(c5cn[nH]c5)C4)n3)cn2)CC1 ZINC000445233380 1078903682 /nfs/dbraw/zinc/90/36/82/1078903682.db2.gz IZCDYQMLJZBKTL-AWEZNQCLSA-N 1 2 422.449 0.763 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4CC(=O)N(c5cn[nH]c5)C4)n3)cn2)CC1 ZINC000445233381 1078903614 /nfs/dbraw/zinc/90/36/14/1078903614.db2.gz IZCDYQMLJZBKTL-CQSZACIVSA-N 1 2 422.449 0.763 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1-n1cnnn1 ZINC000447353140 1079067049 /nfs/dbraw/zinc/06/70/49/1079067049.db2.gz DIUNUTVJWJGXEP-CYBMUJFWSA-N 1 2 410.438 0.749 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1-n1cnnn1 ZINC000447353143 1079067068 /nfs/dbraw/zinc/06/70/68/1079067068.db2.gz DIUNUTVJWJGXEP-ZDUSSCGKSA-N 1 2 410.438 0.749 20 0 HCADLO Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000447353423 1079066962 /nfs/dbraw/zinc/06/69/62/1079066962.db2.gz FKADFDXQWQRSQY-INIZCTEOSA-N 1 2 415.498 0.294 20 0 HCADLO Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000447353425 1079067060 /nfs/dbraw/zinc/06/70/60/1079067060.db2.gz FKADFDXQWQRSQY-MRXNPFEDSA-N 1 2 415.498 0.294 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000447353657 1079067400 /nfs/dbraw/zinc/06/74/00/1079067400.db2.gz GPWYPOSVQUDJBD-LLVKDONJSA-N 1 2 409.443 0.551 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000447353658 1079067348 /nfs/dbraw/zinc/06/73/48/1079067348.db2.gz GPWYPOSVQUDJBD-NSHDSACASA-N 1 2 409.443 0.551 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OCC(N)=O ZINC000447354198 1079067335 /nfs/dbraw/zinc/06/73/35/1079067335.db2.gz JBFSILZCVCBIBP-CYBMUJFWSA-N 1 2 415.450 0.638 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1OCC(N)=O ZINC000447354199 1079067500 /nfs/dbraw/zinc/06/75/00/1079067500.db2.gz JBFSILZCVCBIBP-ZDUSSCGKSA-N 1 2 415.450 0.638 20 0 HCADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1=O ZINC000447354702 1079067377 /nfs/dbraw/zinc/06/73/77/1079067377.db2.gz MXILWEAEHLRUIE-AWEZNQCLSA-N 1 2 415.450 0.490 20 0 HCADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1=O ZINC000447354703 1079067303 /nfs/dbraw/zinc/06/73/03/1079067303.db2.gz MXILWEAEHLRUIE-CQSZACIVSA-N 1 2 415.450 0.490 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000447356996 1079067363 /nfs/dbraw/zinc/06/73/63/1079067363.db2.gz GUJVTPIUNVZRNJ-CVEARBPZSA-N 1 2 423.473 0.970 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000447356997 1079067463 /nfs/dbraw/zinc/06/74/63/1079067463.db2.gz GUJVTPIUNVZRNJ-HOTGVXAUSA-N 1 2 423.473 0.970 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000447356998 1079067273 /nfs/dbraw/zinc/06/72/73/1079067273.db2.gz GUJVTPIUNVZRNJ-HZPDHXFCSA-N 1 2 423.473 0.970 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000447356999 1079067429 /nfs/dbraw/zinc/06/74/29/1079067429.db2.gz GUJVTPIUNVZRNJ-JKSUJKDBSA-N 1 2 423.473 0.970 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1C ZINC000447357819 1079067796 /nfs/dbraw/zinc/06/77/96/1079067796.db2.gz YUTBLKIJYUDTNG-AWEZNQCLSA-N 1 2 419.507 0.981 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1C ZINC000447357827 1079067910 /nfs/dbraw/zinc/06/79/10/1079067910.db2.gz YUTBLKIJYUDTNG-CQSZACIVSA-N 1 2 419.507 0.981 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000447363271 1079076830 /nfs/dbraw/zinc/07/68/30/1079076830.db2.gz JWEQWHZAQUPOEF-HNNXBMFYSA-N 1 2 424.461 0.817 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000447363273 1079077006 /nfs/dbraw/zinc/07/70/06/1079077006.db2.gz JWEQWHZAQUPOEF-OAHLLOKOSA-N 1 2 424.461 0.817 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c2ccccc2O1 ZINC000447364547 1079077890 /nfs/dbraw/zinc/07/78/90/1079077890.db2.gz NLXKAGZQDKRLEJ-PBHICJAKSA-N 1 2 411.462 0.666 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c2ccccc2O1 ZINC000447364548 1079077829 /nfs/dbraw/zinc/07/78/29/1079077829.db2.gz NLXKAGZQDKRLEJ-RHSMWYFYSA-N 1 2 411.462 0.666 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c2ccccc2O1 ZINC000447364549 1079077957 /nfs/dbraw/zinc/07/79/57/1079077957.db2.gz NLXKAGZQDKRLEJ-WMLDXEAASA-N 1 2 411.462 0.666 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c2ccccc2O1 ZINC000447364550 1079077942 /nfs/dbraw/zinc/07/79/42/1079077942.db2.gz NLXKAGZQDKRLEJ-YOEHRIQHSA-N 1 2 411.462 0.666 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000447365012 1079077750 /nfs/dbraw/zinc/07/77/50/1079077750.db2.gz OPHBHSGAMQGMAG-HNNXBMFYSA-N 1 2 419.507 0.814 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000447365015 1079077775 /nfs/dbraw/zinc/07/77/75/1079077775.db2.gz OPHBHSGAMQGMAG-OAHLLOKOSA-N 1 2 419.507 0.814 20 0 HCADLO CCc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1S(N)(=O)=O ZINC000447368138 1079077412 /nfs/dbraw/zinc/07/74/12/1079077412.db2.gz PCFMJAXGCFDKRB-AWEZNQCLSA-N 1 2 419.507 0.975 20 0 HCADLO CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1S(N)(=O)=O ZINC000447368141 1079077280 /nfs/dbraw/zinc/07/72/80/1079077280.db2.gz PCFMJAXGCFDKRB-CQSZACIVSA-N 1 2 419.507 0.975 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000447370024 1079077303 /nfs/dbraw/zinc/07/73/03/1079077303.db2.gz YRAUZGBUPSNYMK-AWEZNQCLSA-N 1 2 419.507 0.981 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000447370025 1079077429 /nfs/dbraw/zinc/07/74/29/1079077429.db2.gz YRAUZGBUPSNYMK-CQSZACIVSA-N 1 2 419.507 0.981 20 0 HCADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000462258784 1075316698 /nfs/dbraw/zinc/31/66/98/1075316698.db2.gz QDJPUAFCUMCZPB-CVEARBPZSA-N 1 2 411.528 0.064 20 0 HCADLO C[C@H]1CN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000462258785 1075316642 /nfs/dbraw/zinc/31/66/42/1075316642.db2.gz QDJPUAFCUMCZPB-HOTGVXAUSA-N 1 2 411.528 0.064 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC000462258786 1075316601 /nfs/dbraw/zinc/31/66/01/1075316601.db2.gz QDJPUAFCUMCZPB-HZPDHXFCSA-N 1 2 411.528 0.064 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000462258787 1075316664 /nfs/dbraw/zinc/31/66/64/1075316664.db2.gz QDJPUAFCUMCZPB-JKSUJKDBSA-N 1 2 411.528 0.064 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c[nH]1 ZINC000462261371 1075316717 /nfs/dbraw/zinc/31/67/17/1075316717.db2.gz WKPUISPBYKSZAA-UHFFFAOYSA-N 1 2 421.479 0.214 20 0 HCADLO CC(C)n1cc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000462261443 1075317158 /nfs/dbraw/zinc/31/71/58/1075317158.db2.gz WYOUOQGWXAMTKN-UHFFFAOYSA-N 1 2 406.512 0.876 20 0 HCADLO CCn1nc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000462262641 1075317060 /nfs/dbraw/zinc/31/70/60/1075317060.db2.gz ZNVGRZUQUFGNHG-UHFFFAOYSA-N 1 2 420.539 0.932 20 0 HCADLO COCCOC1CC[NH+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000462269375 1075317779 /nfs/dbraw/zinc/31/77/79/1075317779.db2.gz FSDWPGZXRKUXGU-INIZCTEOSA-N 1 2 411.480 0.093 20 0 HCADLO COCCOC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000462269376 1075317807 /nfs/dbraw/zinc/31/78/07/1075317807.db2.gz FSDWPGZXRKUXGU-MRXNPFEDSA-N 1 2 411.480 0.093 20 0 HCADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)cc1 ZINC000462272481 1075319224 /nfs/dbraw/zinc/31/92/24/1075319224.db2.gz OROKVPCVHDSYNO-UHFFFAOYSA-N 1 2 423.495 0.785 20 0 HCADLO CS(=O)(=O)Cc1noc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)n1 ZINC000462280124 1075325507 /nfs/dbraw/zinc/32/55/07/1075325507.db2.gz NAMVEVCVBFGGCG-UHFFFAOYSA-N 1 2 404.452 0.645 20 0 HCADLO CS(=O)(=O)Cc1noc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000462280807 1075326626 /nfs/dbraw/zinc/32/66/26/1075326626.db2.gz XREQAEKQCUMFMS-AWEZNQCLSA-N 1 2 409.468 0.059 20 0 HCADLO CS(=O)(=O)Cc1noc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000462280807 1075326621 /nfs/dbraw/zinc/32/66/21/1075326621.db2.gz XREQAEKQCUMFMS-AWEZNQCLSA-N 1 2 409.468 0.059 20 0 HCADLO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000462280808 1075326562 /nfs/dbraw/zinc/32/65/62/1075326562.db2.gz XREQAEKQCUMFMS-CQSZACIVSA-N 1 2 409.468 0.059 20 0 HCADLO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000462280808 1075326557 /nfs/dbraw/zinc/32/65/57/1075326557.db2.gz XREQAEKQCUMFMS-CQSZACIVSA-N 1 2 409.468 0.059 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](n4cccn4)C3)C2=O)c1 ZINC000462281106 1075326206 /nfs/dbraw/zinc/32/62/06/1075326206.db2.gz RRZDEWSUKOAKIC-GDBMZVCRSA-N 1 2 403.464 0.500 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](n4cccn4)C3)C2=O)c1 ZINC000462281106 1075326199 /nfs/dbraw/zinc/32/61/99/1075326199.db2.gz RRZDEWSUKOAKIC-GDBMZVCRSA-N 1 2 403.464 0.500 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](n4cccn4)C3)C2=O)c1 ZINC000462281107 1075326320 /nfs/dbraw/zinc/32/63/20/1075326320.db2.gz RRZDEWSUKOAKIC-GOEBONIOSA-N 1 2 403.464 0.500 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](n4cccn4)C3)C2=O)c1 ZINC000462281107 1075326318 /nfs/dbraw/zinc/32/63/18/1075326318.db2.gz RRZDEWSUKOAKIC-GOEBONIOSA-N 1 2 403.464 0.500 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](n4cccn4)C3)C2=O)c1 ZINC000462281108 1075326132 /nfs/dbraw/zinc/32/61/32/1075326132.db2.gz RRZDEWSUKOAKIC-HOCLYGCPSA-N 1 2 403.464 0.500 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](n4cccn4)C3)C2=O)c1 ZINC000462281108 1075326129 /nfs/dbraw/zinc/32/61/29/1075326129.db2.gz RRZDEWSUKOAKIC-HOCLYGCPSA-N 1 2 403.464 0.500 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](n4cccn4)C3)C2=O)c1 ZINC000462281109 1075326285 /nfs/dbraw/zinc/32/62/85/1075326285.db2.gz RRZDEWSUKOAKIC-ZBFHGGJFSA-N 1 2 403.464 0.500 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](n4cccn4)C3)C2=O)c1 ZINC000462281109 1075326280 /nfs/dbraw/zinc/32/62/80/1075326280.db2.gz RRZDEWSUKOAKIC-ZBFHGGJFSA-N 1 2 403.464 0.500 20 0 HCADLO CS(=O)(=O)Cc1noc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000462283417 1075328218 /nfs/dbraw/zinc/32/82/18/1075328218.db2.gz ILDSWMIGGCKDET-UHFFFAOYSA-N 1 2 409.468 0.265 20 0 HCADLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462284594 1075329055 /nfs/dbraw/zinc/32/90/55/1075329055.db2.gz BNCOXCSSCBPIOP-DOMZBBRYSA-N 1 2 409.464 0.241 20 0 HCADLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462284594 1075329048 /nfs/dbraw/zinc/32/90/48/1075329048.db2.gz BNCOXCSSCBPIOP-DOMZBBRYSA-N 1 2 409.464 0.241 20 0 HCADLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462284595 1075328962 /nfs/dbraw/zinc/32/89/62/1075328962.db2.gz BNCOXCSSCBPIOP-IUODEOHRSA-N 1 2 409.464 0.241 20 0 HCADLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462284595 1075328959 /nfs/dbraw/zinc/32/89/59/1075328959.db2.gz BNCOXCSSCBPIOP-IUODEOHRSA-N 1 2 409.464 0.241 20 0 HCADLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462284596 1075328935 /nfs/dbraw/zinc/32/89/35/1075328935.db2.gz BNCOXCSSCBPIOP-SWLSCSKDSA-N 1 2 409.464 0.241 20 0 HCADLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462284596 1075328930 /nfs/dbraw/zinc/32/89/30/1075328930.db2.gz BNCOXCSSCBPIOP-SWLSCSKDSA-N 1 2 409.464 0.241 20 0 HCADLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462284597 1075329005 /nfs/dbraw/zinc/32/90/05/1075329005.db2.gz BNCOXCSSCBPIOP-WFASDCNBSA-N 1 2 409.464 0.241 20 0 HCADLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462284597 1075329000 /nfs/dbraw/zinc/32/90/00/1075329000.db2.gz BNCOXCSSCBPIOP-WFASDCNBSA-N 1 2 409.464 0.241 20 0 HCADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)c1 ZINC000462285115 1075330239 /nfs/dbraw/zinc/33/02/39/1075330239.db2.gz ZQBKLISYXQTXDU-CYBMUJFWSA-N 1 2 423.495 0.955 20 0 HCADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)c1 ZINC000462285116 1075330208 /nfs/dbraw/zinc/33/02/08/1075330208.db2.gz ZQBKLISYXQTXDU-ZDUSSCGKSA-N 1 2 423.495 0.955 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([NH+]3CCC(N4CCCC4=O)CC3)C2=O)c1 ZINC000462293595 1075333667 /nfs/dbraw/zinc/33/36/67/1075333667.db2.gz YXLLEXHVTAWSFQ-INIZCTEOSA-N 1 2 420.491 0.053 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([NH+]3CCC(N4CCCC4=O)CC3)C2=O)c1 ZINC000462293596 1075333700 /nfs/dbraw/zinc/33/37/00/1075333700.db2.gz YXLLEXHVTAWSFQ-MRXNPFEDSA-N 1 2 420.491 0.053 20 0 HCADLO COc1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)cc1O ZINC000462298931 1075336965 /nfs/dbraw/zinc/33/69/65/1075336965.db2.gz ROOUFDGKUNHKCC-HNNXBMFYSA-N 1 2 419.459 0.812 20 0 HCADLO COc1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)cc1O ZINC000462298931 1075336957 /nfs/dbraw/zinc/33/69/57/1075336957.db2.gz ROOUFDGKUNHKCC-HNNXBMFYSA-N 1 2 419.459 0.812 20 0 HCADLO COc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)cc1O ZINC000462298932 1075337037 /nfs/dbraw/zinc/33/70/37/1075337037.db2.gz ROOUFDGKUNHKCC-OAHLLOKOSA-N 1 2 419.459 0.812 20 0 HCADLO COc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)cc1O ZINC000462298932 1075337030 /nfs/dbraw/zinc/33/70/30/1075337030.db2.gz ROOUFDGKUNHKCC-OAHLLOKOSA-N 1 2 419.459 0.812 20 0 HCADLO C[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CCS(=O)(=O)CC2)[C@@H]1c1cccs1 ZINC000462301364 1075338062 /nfs/dbraw/zinc/33/80/62/1075338062.db2.gz WFLACHIHXBKOON-DZGCQCFKSA-N 1 2 407.583 0.696 20 0 HCADLO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2CCS(=O)(=O)CC2)[C@@H]1c1cccs1 ZINC000462301364 1075338059 /nfs/dbraw/zinc/33/80/59/1075338059.db2.gz WFLACHIHXBKOON-DZGCQCFKSA-N 1 2 407.583 0.696 20 0 HCADLO C[N@H+]1CCC[C@H](CNS(=O)(=O)N2CCS(=O)(=O)CC2)[C@H]1c1cccs1 ZINC000462301371 1075338137 /nfs/dbraw/zinc/33/81/37/1075338137.db2.gz WFLACHIHXBKOON-HIFRSBDPSA-N 1 2 407.583 0.696 20 0 HCADLO C[N@@H+]1CCC[C@H](CNS(=O)(=O)N2CCS(=O)(=O)CC2)[C@H]1c1cccs1 ZINC000462301371 1075338131 /nfs/dbraw/zinc/33/81/31/1075338131.db2.gz WFLACHIHXBKOON-HIFRSBDPSA-N 1 2 407.583 0.696 20 0 HCADLO C[N@H+]1CCC[C@H](CNS(=O)(=O)N2CCS(=O)(=O)CC2)[C@@H]1c1cccs1 ZINC000462301373 1075338118 /nfs/dbraw/zinc/33/81/18/1075338118.db2.gz WFLACHIHXBKOON-UKRRQHHQSA-N 1 2 407.583 0.696 20 0 HCADLO C[N@@H+]1CCC[C@H](CNS(=O)(=O)N2CCS(=O)(=O)CC2)[C@@H]1c1cccs1 ZINC000462301373 1075338115 /nfs/dbraw/zinc/33/81/15/1075338115.db2.gz WFLACHIHXBKOON-UKRRQHHQSA-N 1 2 407.583 0.696 20 0 HCADLO C[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CCS(=O)(=O)CC2)[C@H]1c1cccs1 ZINC000462301375 1075338209 /nfs/dbraw/zinc/33/82/09/1075338209.db2.gz WFLACHIHXBKOON-ZFWWWQNUSA-N 1 2 407.583 0.696 20 0 HCADLO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2CCS(=O)(=O)CC2)[C@H]1c1cccs1 ZINC000462301375 1075338204 /nfs/dbraw/zinc/33/82/04/1075338204.db2.gz WFLACHIHXBKOON-ZFWWWQNUSA-N 1 2 407.583 0.696 20 0 HCADLO CCOCc1nc([C@@H](C)NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)no1 ZINC000462319901 1075344331 /nfs/dbraw/zinc/34/43/31/1075344331.db2.gz RFWGUAUMAOLVIE-GFCCVEGCSA-N 1 2 415.458 0.876 20 0 HCADLO CCOCc1nc([C@H](C)NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)no1 ZINC000462319902 1075344593 /nfs/dbraw/zinc/34/45/93/1075344593.db2.gz RFWGUAUMAOLVIE-LBPRGKRZSA-N 1 2 415.458 0.876 20 0 HCADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCCc3ccncc3)CC2)cc1 ZINC000462320259 1075344277 /nfs/dbraw/zinc/34/42/77/1075344277.db2.gz RZNNCIPWFJNYRA-UHFFFAOYSA-N 1 2 424.548 0.668 20 0 HCADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)C(=O)N3CCN(c4ccccc4)CC3)cc2C1 ZINC000462324746 1075353244 /nfs/dbraw/zinc/35/32/44/1075353244.db2.gz ZIQYEGUFFONREM-UHFFFAOYSA-N 1 2 421.501 0.817 20 0 HCADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)C(=O)N3CCN(c4ccccc4)CC3)cc2C1 ZINC000462324746 1075353238 /nfs/dbraw/zinc/35/32/38/1075353238.db2.gz ZIQYEGUFFONREM-UHFFFAOYSA-N 1 2 421.501 0.817 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2nc(CC(=O)OC)cs2)C1 ZINC000462325945 1075354465 /nfs/dbraw/zinc/35/44/65/1075354465.db2.gz IHGPWMIDYMCYFT-CHWSQXEVSA-N 1 2 412.512 0.660 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2nc(CC(=O)OC)cs2)C1 ZINC000462325945 1075354463 /nfs/dbraw/zinc/35/44/63/1075354463.db2.gz IHGPWMIDYMCYFT-CHWSQXEVSA-N 1 2 412.512 0.660 20 0 HCADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2nc(CC(=O)OC)cs2)C1 ZINC000462325946 1075354511 /nfs/dbraw/zinc/35/45/11/1075354511.db2.gz IHGPWMIDYMCYFT-OLZOCXBDSA-N 1 2 412.512 0.660 20 0 HCADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2nc(CC(=O)OC)cs2)C1 ZINC000462325946 1075354504 /nfs/dbraw/zinc/35/45/04/1075354504.db2.gz IHGPWMIDYMCYFT-OLZOCXBDSA-N 1 2 412.512 0.660 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2nc(CC(=O)OC)cs2)C1 ZINC000462325947 1075354381 /nfs/dbraw/zinc/35/43/81/1075354381.db2.gz IHGPWMIDYMCYFT-QWHCGFSZSA-N 1 2 412.512 0.660 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2nc(CC(=O)OC)cs2)C1 ZINC000462325947 1075354377 /nfs/dbraw/zinc/35/43/77/1075354377.db2.gz IHGPWMIDYMCYFT-QWHCGFSZSA-N 1 2 412.512 0.660 20 0 HCADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2nc(CC(=O)OC)cs2)C1 ZINC000462325948 1075354446 /nfs/dbraw/zinc/35/44/46/1075354446.db2.gz IHGPWMIDYMCYFT-STQMWFEESA-N 1 2 412.512 0.660 20 0 HCADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2nc(CC(=O)OC)cs2)C1 ZINC000462325948 1075354443 /nfs/dbraw/zinc/35/44/43/1075354443.db2.gz IHGPWMIDYMCYFT-STQMWFEESA-N 1 2 412.512 0.660 20 0 HCADLO COc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nc1 ZINC000462331113 1075351227 /nfs/dbraw/zinc/35/12/27/1075351227.db2.gz BKDANOBMHRXRIA-HNNXBMFYSA-N 1 2 412.494 0.667 20 0 HCADLO COc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nc1 ZINC000462331114 1075351243 /nfs/dbraw/zinc/35/12/43/1075351243.db2.gz BKDANOBMHRXRIA-OAHLLOKOSA-N 1 2 412.494 0.667 20 0 HCADLO O=S(=O)(CC1CCOCC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000462332353 1075352038 /nfs/dbraw/zinc/35/20/38/1075352038.db2.gz KQRQZLPGZQREIN-UHFFFAOYSA-N 1 2 411.528 0.192 20 0 HCADLO O=S(=O)(CC1CCOCC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000462332353 1075352033 /nfs/dbraw/zinc/35/20/33/1075352033.db2.gz KQRQZLPGZQREIN-UHFFFAOYSA-N 1 2 411.528 0.192 20 0 HCADLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000462332504 1075351626 /nfs/dbraw/zinc/35/16/26/1075351626.db2.gz DVNIQVFRUMVNTE-DLBZAZTESA-N 1 2 423.535 0.178 20 0 HCADLO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000462332504 1075351619 /nfs/dbraw/zinc/35/16/19/1075351619.db2.gz DVNIQVFRUMVNTE-DLBZAZTESA-N 1 2 423.535 0.178 20 0 HCADLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000462332508 1075351521 /nfs/dbraw/zinc/35/15/21/1075351521.db2.gz DVNIQVFRUMVNTE-IRXDYDNUSA-N 1 2 423.535 0.178 20 0 HCADLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000462332508 1075351518 /nfs/dbraw/zinc/35/15/18/1075351518.db2.gz DVNIQVFRUMVNTE-IRXDYDNUSA-N 1 2 423.535 0.178 20 0 HCADLO CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cn1C ZINC000462332554 1075352106 /nfs/dbraw/zinc/35/21/06/1075352106.db2.gz NGWQSGLWGALOQH-INIZCTEOSA-N 1 2 419.551 0.874 20 0 HCADLO CNC(=O)c1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cn1C ZINC000462332555 1075352023 /nfs/dbraw/zinc/35/20/23/1075352023.db2.gz NGWQSGLWGALOQH-MRXNPFEDSA-N 1 2 419.551 0.874 20 0 HCADLO CC(C)n1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000462332776 1075352445 /nfs/dbraw/zinc/35/24/45/1075352445.db2.gz LHEYZPVJOVDJEI-UHFFFAOYSA-N 1 2 421.527 0.602 20 0 HCADLO CC(C)n1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000462332776 1075352437 /nfs/dbraw/zinc/35/24/37/1075352437.db2.gz LHEYZPVJOVDJEI-UHFFFAOYSA-N 1 2 421.527 0.602 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000462335253 1075358883 /nfs/dbraw/zinc/35/88/83/1075358883.db2.gz OPNFQHQIGYALBV-INIZCTEOSA-N 1 2 421.523 0.545 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000462335254 1075358896 /nfs/dbraw/zinc/35/88/96/1075358896.db2.gz OPNFQHQIGYALBV-MRXNPFEDSA-N 1 2 421.523 0.545 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000462335391 1075352055 /nfs/dbraw/zinc/35/20/55/1075352055.db2.gz MDDBOJALFWJGJT-HNNXBMFYSA-N 1 2 405.524 0.613 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000462335393 1075352494 /nfs/dbraw/zinc/35/24/94/1075352494.db2.gz MDDBOJALFWJGJT-OAHLLOKOSA-N 1 2 405.524 0.613 20 0 HCADLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000462336574 1075359326 /nfs/dbraw/zinc/35/93/26/1075359326.db2.gz DMHRYZVDYAGSFL-DLBZAZTESA-N 1 2 423.535 0.178 20 0 HCADLO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000462336574 1075359322 /nfs/dbraw/zinc/35/93/22/1075359322.db2.gz DMHRYZVDYAGSFL-DLBZAZTESA-N 1 2 423.535 0.178 20 0 HCADLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000462336576 1075359800 /nfs/dbraw/zinc/35/98/00/1075359800.db2.gz DMHRYZVDYAGSFL-IRXDYDNUSA-N 1 2 423.535 0.178 20 0 HCADLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000462336576 1075359797 /nfs/dbraw/zinc/35/97/97/1075359797.db2.gz DMHRYZVDYAGSFL-IRXDYDNUSA-N 1 2 423.535 0.178 20 0 HCADLO CO[C@](C)(C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C1CC1 ZINC000462339167 1075354394 /nfs/dbraw/zinc/35/43/94/1075354394.db2.gz XUPQJIWJDRSLPM-BTYIYWSLSA-N 1 2 403.527 0.764 20 0 HCADLO CO[C@@](C)(C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C1CC1 ZINC000462339168 1075354454 /nfs/dbraw/zinc/35/44/54/1075354454.db2.gz XUPQJIWJDRSLPM-QVKFZJNVSA-N 1 2 403.527 0.764 20 0 HCADLO CO[C@](C)(C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C1CC1 ZINC000462339169 1075354347 /nfs/dbraw/zinc/35/43/47/1075354347.db2.gz XUPQJIWJDRSLPM-VFNWGFHPSA-N 1 2 403.527 0.764 20 0 HCADLO CO[C@@](C)(C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C1CC1 ZINC000462339170 1075354368 /nfs/dbraw/zinc/35/43/68/1075354368.db2.gz XUPQJIWJDRSLPM-YCRPNKLZSA-N 1 2 403.527 0.764 20 0 HCADLO COC[C@H](C)[C@@H](C)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000462339196 1075354494 /nfs/dbraw/zinc/35/44/94/1075354494.db2.gz XZQHEOUXCILUNC-BBWFWOEESA-N 1 2 405.543 0.868 20 0 HCADLO COC[C@H](C)[C@@H](C)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000462339197 1075354425 /nfs/dbraw/zinc/35/44/25/1075354425.db2.gz XZQHEOUXCILUNC-GVDBMIGSSA-N 1 2 405.543 0.868 20 0 HCADLO COC[C@H](C)[C@H](C)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000462339198 1075354480 /nfs/dbraw/zinc/35/44/80/1075354480.db2.gz XZQHEOUXCILUNC-ULQDDVLXSA-N 1 2 405.543 0.868 20 0 HCADLO COC[C@H](C)[C@H](C)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000462339199 1075354317 /nfs/dbraw/zinc/35/43/17/1075354317.db2.gz XZQHEOUXCILUNC-YESZJQIVSA-N 1 2 405.543 0.868 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000462342246 1075355579 /nfs/dbraw/zinc/35/55/79/1075355579.db2.gz ANQBCVVMLNXSJE-HOTGVXAUSA-N 1 2 411.524 0.536 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000462342246 1075355576 /nfs/dbraw/zinc/35/55/76/1075355576.db2.gz ANQBCVVMLNXSJE-HOTGVXAUSA-N 1 2 411.524 0.536 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000462342248 1075355681 /nfs/dbraw/zinc/35/56/81/1075355681.db2.gz ANQBCVVMLNXSJE-JKSUJKDBSA-N 1 2 411.524 0.536 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000462342248 1075355679 /nfs/dbraw/zinc/35/56/79/1075355679.db2.gz ANQBCVVMLNXSJE-JKSUJKDBSA-N 1 2 411.524 0.536 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000462344465 1075356860 /nfs/dbraw/zinc/35/68/60/1075356860.db2.gz YDIZKFLOEBDHPN-UHFFFAOYSA-N 1 2 421.523 0.499 20 0 HCADLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)cc1S(=O)(=O)N1CCCCC1 ZINC000462345960 1075358180 /nfs/dbraw/zinc/35/81/80/1075358180.db2.gz MCNMNUYEKGLORS-DLBZAZTESA-N 1 2 411.524 0.536 20 0 HCADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1S(=O)(=O)N1CCCCC1 ZINC000462345960 1075358178 /nfs/dbraw/zinc/35/81/78/1075358178.db2.gz MCNMNUYEKGLORS-DLBZAZTESA-N 1 2 411.524 0.536 20 0 HCADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1S(=O)(=O)N1CCCCC1 ZINC000462345964 1075358143 /nfs/dbraw/zinc/35/81/43/1075358143.db2.gz MCNMNUYEKGLORS-IRXDYDNUSA-N 1 2 411.524 0.536 20 0 HCADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1S(=O)(=O)N1CCCCC1 ZINC000462345964 1075358141 /nfs/dbraw/zinc/35/81/41/1075358141.db2.gz MCNMNUYEKGLORS-IRXDYDNUSA-N 1 2 411.524 0.536 20 0 HCADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000462352148 1075362561 /nfs/dbraw/zinc/36/25/61/1075362561.db2.gz ZTHOBPILLZGHDE-HOTGVXAUSA-N 1 2 423.510 0.687 20 0 HCADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000462352148 1075362558 /nfs/dbraw/zinc/36/25/58/1075362558.db2.gz ZTHOBPILLZGHDE-HOTGVXAUSA-N 1 2 423.510 0.687 20 0 HCADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000462352150 1075362638 /nfs/dbraw/zinc/36/26/38/1075362638.db2.gz ZTHOBPILLZGHDE-JKSUJKDBSA-N 1 2 423.510 0.687 20 0 HCADLO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000462352150 1075362636 /nfs/dbraw/zinc/36/26/36/1075362636.db2.gz ZTHOBPILLZGHDE-JKSUJKDBSA-N 1 2 423.510 0.687 20 0 HCADLO COCc1nc(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cs1 ZINC000462354842 1075365014 /nfs/dbraw/zinc/36/50/14/1075365014.db2.gz NKOOSAKDTJUWBG-UHFFFAOYSA-N 1 2 402.484 0.998 20 0 HCADLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000462358772 1075366842 /nfs/dbraw/zinc/36/68/42/1075366842.db2.gz LWTCLUZIDAVNCO-DLBZAZTESA-N 1 2 411.524 0.617 20 0 HCADLO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000462358772 1075366841 /nfs/dbraw/zinc/36/68/41/1075366841.db2.gz LWTCLUZIDAVNCO-DLBZAZTESA-N 1 2 411.524 0.617 20 0 HCADLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000462358774 1075366741 /nfs/dbraw/zinc/36/67/41/1075366741.db2.gz LWTCLUZIDAVNCO-IRXDYDNUSA-N 1 2 411.524 0.617 20 0 HCADLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000462358774 1075366736 /nfs/dbraw/zinc/36/67/36/1075366736.db2.gz LWTCLUZIDAVNCO-IRXDYDNUSA-N 1 2 411.524 0.617 20 0 HCADLO CCn1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cn1 ZINC000462365373 1075373248 /nfs/dbraw/zinc/37/32/48/1075373248.db2.gz DFNDORNPZSURHM-UHFFFAOYSA-N 1 2 401.514 0.544 20 0 HCADLO C[NH+](C)CCNS(=O)(=O)c1cccc(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000462370776 1075370311 /nfs/dbraw/zinc/37/03/11/1075370311.db2.gz RNXXSPTVTNXMKO-UHFFFAOYSA-N 1 2 402.473 0.861 20 0 HCADLO COC(=O)CCOc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462395994 1075378265 /nfs/dbraw/zinc/37/82/65/1075378265.db2.gz IZBFIQZHBMOSJA-INIZCTEOSA-N 1 2 412.508 0.971 20 0 HCADLO COC(=O)CCOc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462395995 1075378131 /nfs/dbraw/zinc/37/81/31/1075378131.db2.gz IZBFIQZHBMOSJA-MRXNPFEDSA-N 1 2 412.508 0.971 20 0 HCADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000462396580 1075378178 /nfs/dbraw/zinc/37/81/78/1075378178.db2.gz SCLNQWCBIJRKFR-CYBMUJFWSA-N 1 2 421.516 0.540 20 0 HCADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000462396581 1075378238 /nfs/dbraw/zinc/37/82/38/1075378238.db2.gz SCLNQWCBIJRKFR-ZDUSSCGKSA-N 1 2 421.516 0.540 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(C(=O)OC)s1 ZINC000462398275 1075378866 /nfs/dbraw/zinc/37/88/66/1075378866.db2.gz YEAJWCLHVUUKSA-LLVKDONJSA-N 1 2 400.478 0.956 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C(=O)OC)s1 ZINC000462398276 1075378907 /nfs/dbraw/zinc/37/89/07/1075378907.db2.gz YEAJWCLHVUUKSA-NSHDSACASA-N 1 2 400.478 0.956 20 0 HCADLO O=C(c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1)N1CCOCC1 ZINC000462402210 1075380536 /nfs/dbraw/zinc/38/05/36/1075380536.db2.gz MSEYXUIWRYLGKR-KRWDZBQOSA-N 1 2 423.535 0.502 20 0 HCADLO O=C(c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1)N1CCOCC1 ZINC000462402211 1075380625 /nfs/dbraw/zinc/38/06/25/1075380625.db2.gz MSEYXUIWRYLGKR-QGZVFWFLSA-N 1 2 423.535 0.502 20 0 HCADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000462403183 1075381001 /nfs/dbraw/zinc/38/10/01/1075381001.db2.gz XKUDABSWNBMNPN-KRWDZBQOSA-N 1 2 411.524 0.674 20 0 HCADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000462403184 1075380990 /nfs/dbraw/zinc/38/09/90/1075380990.db2.gz XKUDABSWNBMNPN-QGZVFWFLSA-N 1 2 411.524 0.674 20 0 HCADLO COc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C(=O)N(C)C ZINC000462408396 1075378114 /nfs/dbraw/zinc/37/81/14/1075378114.db2.gz HHOYKRCAMQCTDT-HNNXBMFYSA-N 1 2 411.524 0.740 20 0 HCADLO COc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1C(=O)N(C)C ZINC000462408398 1075378157 /nfs/dbraw/zinc/37/81/57/1075378157.db2.gz HHOYKRCAMQCTDT-OAHLLOKOSA-N 1 2 411.524 0.740 20 0 HCADLO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462408410 1075383812 /nfs/dbraw/zinc/38/38/12/1075383812.db2.gz NGLYMHRRVWUHTR-INIZCTEOSA-N 1 2 402.538 0.574 20 0 HCADLO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462408415 1075383858 /nfs/dbraw/zinc/38/38/58/1075383858.db2.gz NGLYMHRRVWUHTR-MRXNPFEDSA-N 1 2 402.538 0.574 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000462409213 1075384242 /nfs/dbraw/zinc/38/42/42/1075384242.db2.gz KDVRWXMCAVGFJN-HNNXBMFYSA-N 1 2 417.553 0.280 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000462409214 1075384253 /nfs/dbraw/zinc/38/42/53/1075384253.db2.gz KDVRWXMCAVGFJN-OAHLLOKOSA-N 1 2 417.553 0.280 20 0 HCADLO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000462414120 1075386535 /nfs/dbraw/zinc/38/65/35/1075386535.db2.gz CSHMGTSQRDJDRS-HNNXBMFYSA-N 1 2 401.554 0.770 20 0 HCADLO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000462414129 1075386597 /nfs/dbraw/zinc/38/65/97/1075386597.db2.gz CSHMGTSQRDJDRS-OAHLLOKOSA-N 1 2 401.554 0.770 20 0 HCADLO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462415288 1075386992 /nfs/dbraw/zinc/38/69/92/1075386992.db2.gz GNFQERNTMYBDBZ-HNNXBMFYSA-N 1 2 402.538 0.823 20 0 HCADLO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462415289 1075387067 /nfs/dbraw/zinc/38/70/67/1075387067.db2.gz GNFQERNTMYBDBZ-OAHLLOKOSA-N 1 2 402.538 0.823 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462417601 1075382484 /nfs/dbraw/zinc/38/24/84/1075382484.db2.gz NKTSAWAEUZHNRC-HNNXBMFYSA-N 1 2 417.553 0.280 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462417602 1075382409 /nfs/dbraw/zinc/38/24/09/1075382409.db2.gz NKTSAWAEUZHNRC-OAHLLOKOSA-N 1 2 417.553 0.280 20 0 HCADLO CCC(CC)[C@H](CNS(=O)(=O)c1cnn(CC(=O)OC)c1)[NH+]1CCOCC1 ZINC000462426672 1075391782 /nfs/dbraw/zinc/39/17/82/1075391782.db2.gz FWUUOWNAFGECFD-INIZCTEOSA-N 1 2 402.517 0.471 20 0 HCADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cnn(CC(=O)OC)c1)[NH+]1CCOCC1 ZINC000462426673 1075391846 /nfs/dbraw/zinc/39/18/46/1075391846.db2.gz FWUUOWNAFGECFD-MRXNPFEDSA-N 1 2 402.517 0.471 20 0 HCADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)CC1 ZINC000462426966 1075392242 /nfs/dbraw/zinc/39/22/42/1075392242.db2.gz HKMHFVGFSVEAFD-UHFFFAOYSA-N 1 2 407.496 0.370 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)CC1 ZINC000462428139 1075387349 /nfs/dbraw/zinc/38/73/49/1075387349.db2.gz MIFUGLDMZLPRMR-UHFFFAOYSA-N 1 2 410.540 0.938 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000462428497 1075392641 /nfs/dbraw/zinc/39/26/41/1075392641.db2.gz MSNQXHWGYLQTQQ-UHFFFAOYSA-N 1 2 420.539 0.845 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000462430387 1075388181 /nfs/dbraw/zinc/38/81/81/1075388181.db2.gz TWPHSDDGOKLKND-UHFFFAOYSA-N 1 2 421.527 0.146 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2csc(C(=O)OC)c2)CC1 ZINC000462431448 1075388083 /nfs/dbraw/zinc/38/80/83/1075388083.db2.gz XBBVOFOXLGYQKU-UHFFFAOYSA-N 1 2 403.526 0.804 20 0 HCADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC000462433017 1075388939 /nfs/dbraw/zinc/38/89/39/1075388939.db2.gz WEZPPOQDKYVWGQ-UHFFFAOYSA-N 1 2 403.888 0.615 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1(C2CC2)CCOCC1 ZINC000462434842 1075389041 /nfs/dbraw/zinc/38/90/41/1075389041.db2.gz CMAVOTYDBRTLNX-UHFFFAOYSA-N 1 2 422.551 0.856 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000462436847 1075393120 /nfs/dbraw/zinc/39/31/20/1075393120.db2.gz MAWRMPYONAIDCT-INIZCTEOSA-N 1 2 421.523 0.545 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000462436848 1075393080 /nfs/dbraw/zinc/39/30/80/1075393080.db2.gz MAWRMPYONAIDCT-MRXNPFEDSA-N 1 2 421.523 0.545 20 0 HCADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000462439886 1075393956 /nfs/dbraw/zinc/39/39/56/1075393956.db2.gz PJSRPMRHEMPPHF-CVEARBPZSA-N 1 2 400.520 0.891 20 0 HCADLO C[C@H]1CN(S(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](C)CO1 ZINC000462439890 1075393809 /nfs/dbraw/zinc/39/38/09/1075393809.db2.gz PJSRPMRHEMPPHF-HOTGVXAUSA-N 1 2 400.520 0.891 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H](C)CO1 ZINC000462439892 1075393961 /nfs/dbraw/zinc/39/39/61/1075393961.db2.gz PJSRPMRHEMPPHF-HZPDHXFCSA-N 1 2 400.520 0.891 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](C)CO1 ZINC000462439897 1075393866 /nfs/dbraw/zinc/39/38/66/1075393866.db2.gz PJSRPMRHEMPPHF-JKSUJKDBSA-N 1 2 400.520 0.891 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)NCCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000462448710 1075397695 /nfs/dbraw/zinc/39/76/95/1075397695.db2.gz ABPCQEXNPFMGNZ-UHFFFAOYSA-N 1 2 403.464 0.822 20 0 HCADLO COCCn1c(N)c(C(=O)CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c(=O)[nH]c1=O ZINC000462448872 1075397225 /nfs/dbraw/zinc/39/72/25/1075397225.db2.gz TYOYBQLBUBTDEU-CYBMUJFWSA-N 1 2 421.523 0.801 20 0 HCADLO COCCn1c(N)c(C(=O)CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(=O)[nH]c1=O ZINC000462448873 1075397821 /nfs/dbraw/zinc/39/78/21/1075397821.db2.gz TYOYBQLBUBTDEU-ZDUSSCGKSA-N 1 2 421.523 0.801 20 0 HCADLO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cnn(CC(=O)OC)c2)CC1 ZINC000462450407 1075399321 /nfs/dbraw/zinc/39/93/21/1075399321.db2.gz DBTJQGQFBOZGDI-UHFFFAOYSA-N 1 2 407.496 0.999 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cs1 ZINC000462451978 1075400183 /nfs/dbraw/zinc/40/01/83/1075400183.db2.gz PBMAYKUGRMMLIZ-UHFFFAOYSA-N 1 2 422.492 0.722 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000462454466 1075401684 /nfs/dbraw/zinc/40/16/84/1075401684.db2.gz HICVEKVNKONBJC-UHFFFAOYSA-N 1 2 422.511 0.789 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cn1 ZINC000462454846 1075401777 /nfs/dbraw/zinc/40/17/77/1075401777.db2.gz BTJOTOHVXWAOHO-UHFFFAOYSA-N 1 2 422.507 0.961 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cn1 ZINC000462454846 1075401771 /nfs/dbraw/zinc/40/17/71/1075401771.db2.gz BTJOTOHVXWAOHO-UHFFFAOYSA-N 1 2 422.507 0.961 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c[nH]1 ZINC000462457338 1075406462 /nfs/dbraw/zinc/40/64/62/1075406462.db2.gz IHASMNNWCBHZGN-UHFFFAOYSA-N 1 2 408.484 0.082 20 0 HCADLO CCn1nc(C)c(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1C ZINC000462465513 1075404454 /nfs/dbraw/zinc/40/44/54/1075404454.db2.gz NVCKSMLNFSCMOO-UHFFFAOYSA-N 1 2 404.500 0.707 20 0 HCADLO C[C@@H](c1ccsc1)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000462470349 1075411780 /nfs/dbraw/zinc/41/17/80/1075411780.db2.gz SNWWWOAKLUMUPY-AWEZNQCLSA-N 1 2 402.524 0.874 20 0 HCADLO C[C@H](c1ccsc1)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000462470350 1075411739 /nfs/dbraw/zinc/41/17/39/1075411739.db2.gz SNWWWOAKLUMUPY-CQSZACIVSA-N 1 2 402.524 0.874 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)cn1 ZINC000462475489 1075409138 /nfs/dbraw/zinc/40/91/38/1075409138.db2.gz PSULJRMXFKCQNL-UHFFFAOYSA-N 1 2 400.501 0.370 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462476357 1075409605 /nfs/dbraw/zinc/40/96/05/1075409605.db2.gz TYYUTKWXDVNTLY-CHWSQXEVSA-N 1 2 405.524 0.678 20 0 HCADLO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000462476358 1075409512 /nfs/dbraw/zinc/40/95/12/1075409512.db2.gz TYYUTKWXDVNTLY-OLZOCXBDSA-N 1 2 405.524 0.678 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462476359 1075409669 /nfs/dbraw/zinc/40/96/69/1075409669.db2.gz TYYUTKWXDVNTLY-QWHCGFSZSA-N 1 2 405.524 0.678 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462476360 1075409533 /nfs/dbraw/zinc/40/95/33/1075409533.db2.gz TYYUTKWXDVNTLY-STQMWFEESA-N 1 2 405.524 0.678 20 0 HCADLO COC(=O)Cc1csc(NC(=O)C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)n1 ZINC000462477276 1075410094 /nfs/dbraw/zinc/41/00/94/1075410094.db2.gz XXAQULROWFDMMA-UHFFFAOYSA-N 1 2 422.467 0.512 20 0 HCADLO Cn1c2cc(Br)c(S(=O)(=O)NCCn3cc[nH+]c3)cc2n(C)c1=O ZINC000462481146 1075413851 /nfs/dbraw/zinc/41/38/51/1075413851.db2.gz QWWXENHFYVBTBT-UHFFFAOYSA-N 1 2 414.285 0.815 20 0 HCADLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1C(=O)N(C)C ZINC000462483769 1075414824 /nfs/dbraw/zinc/41/48/24/1075414824.db2.gz GZTYSFPFDCEGDF-HNNXBMFYSA-N 1 2 412.556 0.559 20 0 HCADLO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1C(=O)N(C)C ZINC000462483770 1075414860 /nfs/dbraw/zinc/41/48/60/1075414860.db2.gz GZTYSFPFDCEGDF-OAHLLOKOSA-N 1 2 412.556 0.559 20 0 HCADLO C[C@@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000462491547 1075418272 /nfs/dbraw/zinc/41/82/72/1075418272.db2.gz RLKYXYJAYLLKAS-HNNXBMFYSA-N 1 2 403.570 0.393 20 0 HCADLO C[C@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000462491548 1075418119 /nfs/dbraw/zinc/41/81/19/1075418119.db2.gz RLKYXYJAYLLKAS-OAHLLOKOSA-N 1 2 403.570 0.393 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(c2ccccc2)C(=O)C1 ZINC000462517621 1075424687 /nfs/dbraw/zinc/42/46/87/1075424687.db2.gz QIDYUFVAEQAODU-UHFFFAOYSA-N 1 2 409.494 0.657 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)[C@@H](C)CO1 ZINC000462528855 1075429623 /nfs/dbraw/zinc/42/96/23/1075429623.db2.gz OXNDKAMERCIIHU-DLBZAZTESA-N 1 2 413.540 0.841 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)[C@H](C)CO1 ZINC000462528859 1075429500 /nfs/dbraw/zinc/42/95/00/1075429500.db2.gz OXNDKAMERCIIHU-IAGOWNOFSA-N 1 2 413.540 0.841 20 0 HCADLO C[C@H]1CN(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)[C@@H](C)CO1 ZINC000462528867 1075429609 /nfs/dbraw/zinc/42/96/09/1075429609.db2.gz OXNDKAMERCIIHU-IRXDYDNUSA-N 1 2 413.540 0.841 20 0 HCADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000462528873 1075429591 /nfs/dbraw/zinc/42/95/91/1075429591.db2.gz OXNDKAMERCIIHU-SJORKVTESA-N 1 2 413.540 0.841 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c[nH]1 ZINC000462529910 1075429961 /nfs/dbraw/zinc/42/99/61/1075429961.db2.gz RVZNZPVCOJVIOI-UHFFFAOYSA-N 1 2 423.491 0.991 20 0 HCADLO CN1CCN(c2ncc(C[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)cn2)CC1 ZINC000462542532 1075433930 /nfs/dbraw/zinc/43/39/30/1075433930.db2.gz NABXKCDMOBVCKN-UHFFFAOYSA-N 1 2 401.490 0.889 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c[nH]1 ZINC000462547008 1075434833 /nfs/dbraw/zinc/43/48/33/1075434833.db2.gz FXJNORIOJNTPJG-UHFFFAOYSA-N 1 2 423.491 0.991 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000462548921 1075438390 /nfs/dbraw/zinc/43/83/90/1075438390.db2.gz JZYURBFMFKUAPX-QLFBSQMISA-N 1 2 400.501 0.318 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000462548921 1075438387 /nfs/dbraw/zinc/43/83/87/1075438387.db2.gz JZYURBFMFKUAPX-QLFBSQMISA-N 1 2 400.501 0.318 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000462548928 1075438331 /nfs/dbraw/zinc/43/83/31/1075438331.db2.gz JZYURBFMFKUAPX-RBSFLKMASA-N 1 2 400.501 0.318 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000462548930 1075438440 /nfs/dbraw/zinc/43/84/40/1075438440.db2.gz JZYURBFMFKUAPX-SOUVJXGZSA-N 1 2 400.501 0.318 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000462548932 1075438363 /nfs/dbraw/zinc/43/83/63/1075438363.db2.gz JZYURBFMFKUAPX-ZNMIVQPWSA-N 1 2 400.501 0.318 20 0 HCADLO COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000462548932 1075438360 /nfs/dbraw/zinc/43/83/60/1075438360.db2.gz JZYURBFMFKUAPX-ZNMIVQPWSA-N 1 2 400.501 0.318 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)[C@@H](C)CO1 ZINC000462555978 1075440436 /nfs/dbraw/zinc/44/04/36/1075440436.db2.gz XKSOLNJZWREIQK-DLBZAZTESA-N 1 2 413.540 0.841 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)[C@H](C)CO1 ZINC000462555979 1075440523 /nfs/dbraw/zinc/44/05/23/1075440523.db2.gz XKSOLNJZWREIQK-IAGOWNOFSA-N 1 2 413.540 0.841 20 0 HCADLO C[C@H]1CN(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)[C@@H](C)CO1 ZINC000462555980 1075440510 /nfs/dbraw/zinc/44/05/10/1075440510.db2.gz XKSOLNJZWREIQK-IRXDYDNUSA-N 1 2 413.540 0.841 20 0 HCADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000462555981 1075440232 /nfs/dbraw/zinc/44/02/32/1075440232.db2.gz XKSOLNJZWREIQK-SJORKVTESA-N 1 2 413.540 0.841 20 0 HCADLO CCOC(=O)C1CCN(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000462583901 1075449525 /nfs/dbraw/zinc/44/95/25/1075449525.db2.gz YNKNJGZECBRRAT-KRWDZBQOSA-N 1 2 403.545 0.693 20 0 HCADLO CCOC(=O)C1CCN(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000462583902 1075449473 /nfs/dbraw/zinc/44/94/73/1075449473.db2.gz YNKNJGZECBRRAT-QGZVFWFLSA-N 1 2 403.545 0.693 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000462598903 1075454997 /nfs/dbraw/zinc/45/49/97/1075454997.db2.gz XEPVDRAMEPGCBX-KRWDZBQOSA-N 1 2 402.495 0.431 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000462598903 1075454993 /nfs/dbraw/zinc/45/49/93/1075454993.db2.gz XEPVDRAMEPGCBX-KRWDZBQOSA-N 1 2 402.495 0.431 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000462598904 1075454970 /nfs/dbraw/zinc/45/49/70/1075454970.db2.gz XEPVDRAMEPGCBX-QGZVFWFLSA-N 1 2 402.495 0.431 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000462598904 1075454967 /nfs/dbraw/zinc/45/49/67/1075454967.db2.gz XEPVDRAMEPGCBX-QGZVFWFLSA-N 1 2 402.495 0.431 20 0 HCADLO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2ccsc2S1(=O)=O ZINC000462625428 1075466018 /nfs/dbraw/zinc/46/60/18/1075466018.db2.gz XWOVMPWECXAADR-GUTXKFCHSA-N 1 2 417.553 0.690 20 0 HCADLO C[C@H]1C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c2ccsc2S1(=O)=O ZINC000462625431 1075466474 /nfs/dbraw/zinc/46/64/74/1075466474.db2.gz XWOVMPWECXAADR-YDHLFZDLSA-N 1 2 417.553 0.690 20 0 HCADLO O=C(NC[C@H]1CCN(c2ccccc2F)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462636274 1075468608 /nfs/dbraw/zinc/46/86/08/1075468608.db2.gz FKMDDYSDVOUFSW-MSOLQXFVSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NC[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462636275 1075468783 /nfs/dbraw/zinc/46/87/83/1075468783.db2.gz FKMDDYSDVOUFSW-QZTJIDSGSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NC[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462636276 1075468670 /nfs/dbraw/zinc/46/86/70/1075468670.db2.gz FKMDDYSDVOUFSW-ROUUACIJSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NC[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462636277 1075469243 /nfs/dbraw/zinc/46/92/43/1075469243.db2.gz FKMDDYSDVOUFSW-ZWKOTPCHSA-N 1 2 418.513 0.949 20 0 HCADLO COc1ccc(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(OC)n1 ZINC000462654389 1075475059 /nfs/dbraw/zinc/47/50/59/1075475059.db2.gz HXYFPBKFTDQJBR-UHFFFAOYSA-N 1 2 412.454 0.807 20 0 HCADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462657496 1075470643 /nfs/dbraw/zinc/47/06/43/1075470643.db2.gz BNDOTRNEROLOCM-UHFFFAOYSA-N 1 2 420.535 0.353 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000462658481 1075471145 /nfs/dbraw/zinc/47/11/45/1075471145.db2.gz HCMCGLHUJHDFBW-LLVKDONJSA-N 1 2 404.514 0.151 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000462658481 1075471135 /nfs/dbraw/zinc/47/11/35/1075471135.db2.gz HCMCGLHUJHDFBW-LLVKDONJSA-N 1 2 404.514 0.151 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000462658486 1075471096 /nfs/dbraw/zinc/47/10/96/1075471096.db2.gz HCMCGLHUJHDFBW-NSHDSACASA-N 1 2 404.514 0.151 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000462658486 1075471088 /nfs/dbraw/zinc/47/10/88/1075471088.db2.gz HCMCGLHUJHDFBW-NSHDSACASA-N 1 2 404.514 0.151 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462658578 1075471327 /nfs/dbraw/zinc/47/13/27/1075471327.db2.gz JTCGRWKRXGTLHG-KRWDZBQOSA-N 1 2 411.505 0.845 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462658578 1075471323 /nfs/dbraw/zinc/47/13/23/1075471323.db2.gz JTCGRWKRXGTLHG-KRWDZBQOSA-N 1 2 411.505 0.845 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462658579 1075471455 /nfs/dbraw/zinc/47/14/55/1075471455.db2.gz JTCGRWKRXGTLHG-QGZVFWFLSA-N 1 2 411.505 0.845 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462658579 1075471449 /nfs/dbraw/zinc/47/14/49/1075471449.db2.gz JTCGRWKRXGTLHG-QGZVFWFLSA-N 1 2 411.505 0.845 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000462659049 1075471510 /nfs/dbraw/zinc/47/15/10/1075471510.db2.gz PPDSKZFUMBKOOP-CQSZACIVSA-N 1 2 411.505 0.627 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000462659049 1075471505 /nfs/dbraw/zinc/47/15/05/1075471505.db2.gz PPDSKZFUMBKOOP-CQSZACIVSA-N 1 2 411.505 0.627 20 0 HCADLO C[C@@H](CNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)C[NH+]1CCN(C)CC1 ZINC000462660343 1075477722 /nfs/dbraw/zinc/47/77/22/1075477722.db2.gz RRWLOHNDFUCWRX-HNNXBMFYSA-N 1 2 406.552 0.684 20 0 HCADLO C[C@H](CNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)C[NH+]1CCN(C)CC1 ZINC000462660344 1075477679 /nfs/dbraw/zinc/47/76/79/1075477679.db2.gz RRWLOHNDFUCWRX-OAHLLOKOSA-N 1 2 406.552 0.684 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000462662328 1075478206 /nfs/dbraw/zinc/47/82/06/1075478206.db2.gz WCZVXKQQYSMKRQ-UHFFFAOYSA-N 1 2 405.498 0.483 20 0 HCADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462664912 1075478701 /nfs/dbraw/zinc/47/87/01/1075478701.db2.gz HKSBAOUEUJVGPB-UHFFFAOYSA-N 1 2 420.535 0.307 20 0 HCADLO O=C1Cc2cc(S(=O)(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc3c2N1CCC3 ZINC000462667430 1075480502 /nfs/dbraw/zinc/48/05/02/1075480502.db2.gz GLZSVQBCULWZAD-HNNXBMFYSA-N 1 2 405.520 0.865 20 0 HCADLO O=C1Cc2cc(S(=O)(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc3c2N1CCC3 ZINC000462667431 1075480585 /nfs/dbraw/zinc/48/05/85/1075480585.db2.gz GLZSVQBCULWZAD-OAHLLOKOSA-N 1 2 405.520 0.865 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000462690353 1075488666 /nfs/dbraw/zinc/48/86/66/1075488666.db2.gz IAGWGHVPYSCGTI-HNNXBMFYSA-N 1 2 418.585 0.739 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000462690355 1075488819 /nfs/dbraw/zinc/48/88/19/1075488819.db2.gz IAGWGHVPYSCGTI-OAHLLOKOSA-N 1 2 418.585 0.739 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000462691075 1075495397 /nfs/dbraw/zinc/49/53/97/1075495397.db2.gz JPUGMILAKOWXSO-ARFHVFGLSA-N 1 2 411.590 0.171 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000462691082 1075495377 /nfs/dbraw/zinc/49/53/77/1075495377.db2.gz JPUGMILAKOWXSO-BZUAXINKSA-N 1 2 411.590 0.171 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000462691084 1075495459 /nfs/dbraw/zinc/49/54/59/1075495459.db2.gz JPUGMILAKOWXSO-HRCADAONSA-N 1 2 411.590 0.171 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000462691086 1075495417 /nfs/dbraw/zinc/49/54/17/1075495417.db2.gz JPUGMILAKOWXSO-OWCLPIDISA-N 1 2 411.590 0.171 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000462691473 1075489609 /nfs/dbraw/zinc/48/96/09/1075489609.db2.gz LHHKDTYHMUOUBG-UHFFFAOYSA-N 1 2 411.509 0.555 20 0 HCADLO CCOc1ccc(S(=O)(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000462691876 1075489090 /nfs/dbraw/zinc/48/90/90/1075489090.db2.gz MGYGRTIBTAHANB-HNNXBMFYSA-N 1 2 419.569 1.000 20 0 HCADLO CCOc1ccc(S(=O)(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000462691877 1075489278 /nfs/dbraw/zinc/48/92/78/1075489278.db2.gz MGYGRTIBTAHANB-OAHLLOKOSA-N 1 2 419.569 1.000 20 0 HCADLO CCn1cc(S(=O)(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)nc1C ZINC000462692707 1075489867 /nfs/dbraw/zinc/48/98/67/1075489867.db2.gz QAJIVBKHUSEQQS-HNNXBMFYSA-N 1 2 406.574 0.731 20 0 HCADLO CCn1cc(S(=O)(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)nc1C ZINC000462692708 1075490002 /nfs/dbraw/zinc/49/00/02/1075490002.db2.gz QAJIVBKHUSEQQS-OAHLLOKOSA-N 1 2 406.574 0.731 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)cnc1N ZINC000462693241 1075490305 /nfs/dbraw/zinc/49/03/05/1075490305.db2.gz SZDLVHKKSSUHEL-AWEZNQCLSA-N 1 2 404.558 0.492 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)cnc1N ZINC000462693242 1075490351 /nfs/dbraw/zinc/49/03/51/1075490351.db2.gz SZDLVHKKSSUHEL-CQSZACIVSA-N 1 2 404.558 0.492 20 0 HCADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462695268 1075491646 /nfs/dbraw/zinc/49/16/46/1075491646.db2.gz GJJRLRCUOPCZKD-UHFFFAOYSA-N 1 2 406.508 0.011 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C(C)C)cn1 ZINC000462697387 1075492628 /nfs/dbraw/zinc/49/26/28/1075492628.db2.gz CZUNGOVSFUTCFH-HNNXBMFYSA-N 1 2 406.574 0.984 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C(C)C)cn1 ZINC000462697388 1075492534 /nfs/dbraw/zinc/49/25/34/1075492534.db2.gz CZUNGOVSFUTCFH-OAHLLOKOSA-N 1 2 406.574 0.984 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000462700176 1075493931 /nfs/dbraw/zinc/49/39/31/1075493931.db2.gz LZYJYYJABSFZRB-CYBMUJFWSA-N 1 2 421.541 0.321 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000462700177 1075493874 /nfs/dbraw/zinc/49/38/74/1075493874.db2.gz LZYJYYJABSFZRB-ZDUSSCGKSA-N 1 2 421.541 0.321 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000462700572 1075493393 /nfs/dbraw/zinc/49/33/93/1075493393.db2.gz JAOZFOFUPQNETF-HNNXBMFYSA-N 1 2 411.590 0.173 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000462700573 1075493434 /nfs/dbraw/zinc/49/34/34/1075493434.db2.gz JAOZFOFUPQNETF-OAHLLOKOSA-N 1 2 411.590 0.173 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000462700977 1075493429 /nfs/dbraw/zinc/49/34/29/1075493429.db2.gz OAOUCLWKOFCERQ-AWEZNQCLSA-N 1 2 418.537 0.935 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000462700978 1075493445 /nfs/dbraw/zinc/49/34/45/1075493445.db2.gz OAOUCLWKOFCERQ-CQSZACIVSA-N 1 2 418.537 0.935 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CCOC)c1 ZINC000462704371 1075497768 /nfs/dbraw/zinc/49/77/68/1075497768.db2.gz LTSNELQWKIYAIJ-HNNXBMFYSA-N 1 2 422.573 0.049 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CCOC)c1 ZINC000462704373 1075497737 /nfs/dbraw/zinc/49/77/37/1075497737.db2.gz LTSNELQWKIYAIJ-OAHLLOKOSA-N 1 2 422.573 0.049 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000462705855 1075498237 /nfs/dbraw/zinc/49/82/37/1075498237.db2.gz RBVJKUGCMVPBCT-AWEZNQCLSA-N 1 2 422.525 0.586 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000462705856 1075498248 /nfs/dbraw/zinc/49/82/48/1075498248.db2.gz RBVJKUGCMVPBCT-CQSZACIVSA-N 1 2 422.525 0.586 20 0 HCADLO CS(=O)(=O)Cc1noc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000462706095 1075498198 /nfs/dbraw/zinc/49/81/98/1075498198.db2.gz BPTCCKUZEQBHOO-UHFFFAOYSA-N 1 2 409.468 0.190 20 0 HCADLO COC(=O)c1ncsc1S(=O)(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000462708513 1075499878 /nfs/dbraw/zinc/49/98/78/1075499878.db2.gz WQWHOGLPRYUTBL-UHFFFAOYSA-N 1 2 411.509 0.555 20 0 HCADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)c1 ZINC000462738474 1075505915 /nfs/dbraw/zinc/50/59/15/1075505915.db2.gz YTUFEIDGBDZBER-UHFFFAOYSA-N 1 2 414.528 0.293 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCS(=O)(=O)N(C)C ZINC000462742861 1075508974 /nfs/dbraw/zinc/50/89/74/1075508974.db2.gz QCNXHMKMUOAORK-KRWDZBQOSA-N 1 2 412.556 0.810 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCS(=O)(=O)N(C)C ZINC000462742862 1075508961 /nfs/dbraw/zinc/50/89/61/1075508961.db2.gz QCNXHMKMUOAORK-QGZVFWFLSA-N 1 2 412.556 0.810 20 0 HCADLO CN(CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)[C@H]1CCSC1 ZINC000462752735 1075507124 /nfs/dbraw/zinc/50/71/24/1075507124.db2.gz BTQHCZZVWPWPEZ-HNNXBMFYSA-N 1 2 400.570 0.902 20 0 HCADLO CN(CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)[C@@H]1CCSC1 ZINC000462752740 1075507000 /nfs/dbraw/zinc/50/70/00/1075507000.db2.gz BTQHCZZVWPWPEZ-OAHLLOKOSA-N 1 2 400.570 0.902 20 0 HCADLO Cn1[nH]cc2c(=O)c(C(=O)Nc3cccc(S(=O)(=O)NCC[NH+](C)C)c3)cnc1-2 ZINC000462766799 1075513881 /nfs/dbraw/zinc/51/38/81/1075513881.db2.gz WMTOKSSGJFBQGQ-UHFFFAOYSA-N 1 2 418.479 0.766 20 0 HCADLO O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462774760 1075516308 /nfs/dbraw/zinc/51/63/08/1075516308.db2.gz OYASQMUMCVQNNG-CVEARBPZSA-N 1 2 418.469 0.228 20 0 HCADLO O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462774771 1075516245 /nfs/dbraw/zinc/51/62/45/1075516245.db2.gz OYASQMUMCVQNNG-HOTGVXAUSA-N 1 2 418.469 0.228 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462774773 1075516658 /nfs/dbraw/zinc/51/66/58/1075516658.db2.gz OYASQMUMCVQNNG-HZPDHXFCSA-N 1 2 418.469 0.228 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462774775 1075516558 /nfs/dbraw/zinc/51/65/58/1075516558.db2.gz OYASQMUMCVQNNG-JKSUJKDBSA-N 1 2 418.469 0.228 20 0 HCADLO Cn1cc(C[NH+]2CCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)CC2)cn1 ZINC000462821941 1075528841 /nfs/dbraw/zinc/52/88/41/1075528841.db2.gz ZEXALFSDETXJBV-UHFFFAOYSA-N 1 2 419.555 0.073 20 0 HCADLO CC(C)(C)c1nc(=NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)s[nH]1 ZINC000462864910 1075541789 /nfs/dbraw/zinc/54/17/89/1075541789.db2.gz XEEORZVOSZJOBB-CYBMUJFWSA-N 1 2 421.527 0.488 20 0 HCADLO CC(C)(C)c1nc(=NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)s[nH]1 ZINC000462864911 1075541885 /nfs/dbraw/zinc/54/18/85/1075541885.db2.gz XEEORZVOSZJOBB-ZDUSSCGKSA-N 1 2 421.527 0.488 20 0 HCADLO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000462868147 1075542684 /nfs/dbraw/zinc/54/26/84/1075542684.db2.gz POEHOWVXDLGARZ-UHFFFAOYSA-N 1 2 400.273 0.841 20 0 HCADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000462895427 1075551273 /nfs/dbraw/zinc/55/12/73/1075551273.db2.gz LWDZKJNXOVCVOG-INIZCTEOSA-N 1 2 401.529 0.993 20 0 HCADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000462895427 1075551269 /nfs/dbraw/zinc/55/12/69/1075551269.db2.gz LWDZKJNXOVCVOG-INIZCTEOSA-N 1 2 401.529 0.993 20 0 HCADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000462895428 1075551423 /nfs/dbraw/zinc/55/14/23/1075551423.db2.gz LWDZKJNXOVCVOG-MRXNPFEDSA-N 1 2 401.529 0.993 20 0 HCADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000462895428 1075551418 /nfs/dbraw/zinc/55/14/18/1075551418.db2.gz LWDZKJNXOVCVOG-MRXNPFEDSA-N 1 2 401.529 0.993 20 0 HCADLO CNC(=O)c1cccnc1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000462924715 1075556698 /nfs/dbraw/zinc/55/66/98/1075556698.db2.gz KVMSCVIKBYBTEH-UHFFFAOYSA-N 1 2 404.496 0.400 20 0 HCADLO Cc1noc(-c2cccnc2N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000462926432 1075557385 /nfs/dbraw/zinc/55/73/85/1075557385.db2.gz WVNUHZGFXJOKIZ-UHFFFAOYSA-N 1 2 407.500 0.054 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CNC(=O)Cc3ccc(O)cc3)CC2)cc1 ZINC000462932502 1075558930 /nfs/dbraw/zinc/55/89/30/1075558930.db2.gz SJDLZWZBWHSVGS-UHFFFAOYSA-N 1 2 410.474 0.494 20 0 HCADLO O=S(=O)(Cc1ccon1)N1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000462949033 1075563690 /nfs/dbraw/zinc/56/36/90/1075563690.db2.gz OSVRTISASXTVLQ-HNNXBMFYSA-N 1 2 422.511 0.325 20 0 HCADLO O=S(=O)(Cc1ccon1)N1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000462949033 1075563687 /nfs/dbraw/zinc/56/36/87/1075563687.db2.gz OSVRTISASXTVLQ-HNNXBMFYSA-N 1 2 422.511 0.325 20 0 HCADLO O=S(=O)(Cc1ccon1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000462949035 1075563726 /nfs/dbraw/zinc/56/37/26/1075563726.db2.gz OSVRTISASXTVLQ-OAHLLOKOSA-N 1 2 422.511 0.325 20 0 HCADLO O=S(=O)(Cc1ccon1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000462949035 1075563723 /nfs/dbraw/zinc/56/37/23/1075563723.db2.gz OSVRTISASXTVLQ-OAHLLOKOSA-N 1 2 422.511 0.325 20 0 HCADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462953918 1075564725 /nfs/dbraw/zinc/56/47/25/1075564725.db2.gz OMJDPISWKANRLX-UHFFFAOYSA-N 1 2 403.508 0.365 20 0 HCADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462953918 1075564719 /nfs/dbraw/zinc/56/47/19/1075564719.db2.gz OMJDPISWKANRLX-UHFFFAOYSA-N 1 2 403.508 0.365 20 0 HCADLO Cn1nc2c(cc1=O)CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000462954082 1075564672 /nfs/dbraw/zinc/56/46/72/1075564672.db2.gz AZIXFVIGRWGREJ-UHFFFAOYSA-N 1 2 411.506 0.287 20 0 HCADLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3nn(C)c(=O)cc3C2)c(=O)n(-c2ccccc2)n1C ZINC000462954601 1075564965 /nfs/dbraw/zinc/56/49/65/1075564965.db2.gz BKYSVBWRYGPNRC-HNNXBMFYSA-N 1 2 422.489 0.963 20 0 HCADLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(=O)n(-c2ccccc2)n1C ZINC000462954601 1075564957 /nfs/dbraw/zinc/56/49/57/1075564957.db2.gz BKYSVBWRYGPNRC-HNNXBMFYSA-N 1 2 422.489 0.963 20 0 HCADLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3nn(C)c(=O)cc3C2)c(=O)n(-c2ccccc2)n1C ZINC000462954602 1075565018 /nfs/dbraw/zinc/56/50/18/1075565018.db2.gz BKYSVBWRYGPNRC-OAHLLOKOSA-N 1 2 422.489 0.963 20 0 HCADLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(=O)n(-c2ccccc2)n1C ZINC000462954602 1075565015 /nfs/dbraw/zinc/56/50/15/1075565015.db2.gz BKYSVBWRYGPNRC-OAHLLOKOSA-N 1 2 422.489 0.963 20 0 HCADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)CC2 ZINC000462961906 1075572102 /nfs/dbraw/zinc/57/21/02/1075572102.db2.gz AIMCZZXGPCMKAI-UHFFFAOYSA-N 1 2 409.490 0.577 20 0 HCADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)CC2 ZINC000462961906 1075572097 /nfs/dbraw/zinc/57/20/97/1075572097.db2.gz AIMCZZXGPCMKAI-UHFFFAOYSA-N 1 2 409.490 0.577 20 0 HCADLO COc1ccc(CN2CCN(C(=O)C[N@H+]3CCc4nn(C)c(=O)cc4C3)CC2)cc1 ZINC000462963104 1075572056 /nfs/dbraw/zinc/57/20/56/1075572056.db2.gz CEWZDGJVBGJONH-UHFFFAOYSA-N 1 2 411.506 0.491 20 0 HCADLO COc1ccc(CN2CCN(C(=O)C[N@@H+]3CCc4nn(C)c(=O)cc4C3)CC2)cc1 ZINC000462963104 1075572052 /nfs/dbraw/zinc/57/20/52/1075572052.db2.gz CEWZDGJVBGJONH-UHFFFAOYSA-N 1 2 411.506 0.491 20 0 HCADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(C(=O)c3cccs3)CC1)CC2 ZINC000462965067 1075566443 /nfs/dbraw/zinc/56/64/43/1075566443.db2.gz KZVIQMJLAPZVGO-UHFFFAOYSA-N 1 2 401.492 0.185 20 0 HCADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(C(=O)c3cccs3)CC1)CC2 ZINC000462965067 1075566439 /nfs/dbraw/zinc/56/64/39/1075566439.db2.gz KZVIQMJLAPZVGO-UHFFFAOYSA-N 1 2 401.492 0.185 20 0 HCADLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2nn(C)c(=O)cc2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000462965134 1075566562 /nfs/dbraw/zinc/56/65/62/1075566562.db2.gz IFPVDRDYICFKBP-CHWSQXEVSA-N 1 2 419.507 0.052 20 0 HCADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2nn(C)c(=O)cc2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000462965134 1075566556 /nfs/dbraw/zinc/56/65/56/1075566556.db2.gz IFPVDRDYICFKBP-CHWSQXEVSA-N 1 2 419.507 0.052 20 0 HCADLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2nn(C)c(=O)cc2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000462965137 1075566539 /nfs/dbraw/zinc/56/65/39/1075566539.db2.gz IFPVDRDYICFKBP-OLZOCXBDSA-N 1 2 419.507 0.052 20 0 HCADLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2nn(C)c(=O)cc2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000462965137 1075566533 /nfs/dbraw/zinc/56/65/33/1075566533.db2.gz IFPVDRDYICFKBP-OLZOCXBDSA-N 1 2 419.507 0.052 20 0 HCADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462965141 1075566496 /nfs/dbraw/zinc/56/64/96/1075566496.db2.gz IFPVDRDYICFKBP-QWHCGFSZSA-N 1 2 419.507 0.052 20 0 HCADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462965141 1075566492 /nfs/dbraw/zinc/56/64/92/1075566492.db2.gz IFPVDRDYICFKBP-QWHCGFSZSA-N 1 2 419.507 0.052 20 0 HCADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2nn(C)c(=O)cc2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000462965144 1075566622 /nfs/dbraw/zinc/56/66/22/1075566622.db2.gz IFPVDRDYICFKBP-STQMWFEESA-N 1 2 419.507 0.052 20 0 HCADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2nn(C)c(=O)cc2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000462965144 1075566616 /nfs/dbraw/zinc/56/66/16/1075566616.db2.gz IFPVDRDYICFKBP-STQMWFEESA-N 1 2 419.507 0.052 20 0 HCADLO CC(C)OC(=O)CCCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000462965627 1075567315 /nfs/dbraw/zinc/56/73/15/1075567315.db2.gz JJRVOYXDGZWSOV-UHFFFAOYSA-N 1 2 419.482 0.256 20 0 HCADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(C(=O)Nc3ccccc3)CC1)CC2 ZINC000462967203 1075567684 /nfs/dbraw/zinc/56/76/84/1075567684.db2.gz QWJYAVVNTARBSS-UHFFFAOYSA-N 1 2 410.478 0.515 20 0 HCADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(C(=O)Nc3ccccc3)CC1)CC2 ZINC000462967203 1075567679 /nfs/dbraw/zinc/56/76/79/1075567679.db2.gz QWJYAVVNTARBSS-UHFFFAOYSA-N 1 2 410.478 0.515 20 0 HCADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NC(=O)Nc1ccc3c(c1)OCCCO3)CC2 ZINC000462967377 1075567371 /nfs/dbraw/zinc/56/73/71/1075567371.db2.gz JETYZZQQIXOABW-UHFFFAOYSA-N 1 2 413.434 0.648 20 0 HCADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NC(=O)Nc1ccc3c(c1)OCCCO3)CC2 ZINC000462967377 1075567365 /nfs/dbraw/zinc/56/73/65/1075567365.db2.gz JETYZZQQIXOABW-UHFFFAOYSA-N 1 2 413.434 0.648 20 0 HCADLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462968182 1075567711 /nfs/dbraw/zinc/56/77/11/1075567711.db2.gz PCCUWHBGGOQTJV-GFCCVEGCSA-N 1 2 413.434 0.646 20 0 HCADLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462968182 1075567706 /nfs/dbraw/zinc/56/77/06/1075567706.db2.gz PCCUWHBGGOQTJV-GFCCVEGCSA-N 1 2 413.434 0.646 20 0 HCADLO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462968183 1075567809 /nfs/dbraw/zinc/56/78/09/1075567809.db2.gz PCCUWHBGGOQTJV-LBPRGKRZSA-N 1 2 413.434 0.646 20 0 HCADLO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462968183 1075567807 /nfs/dbraw/zinc/56/78/07/1075567807.db2.gz PCCUWHBGGOQTJV-LBPRGKRZSA-N 1 2 413.434 0.646 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462969542 1075568695 /nfs/dbraw/zinc/56/86/95/1075568695.db2.gz BMJBCUZGFSZVCB-IBGZPJMESA-N 1 2 423.473 0.520 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462969542 1075568691 /nfs/dbraw/zinc/56/86/91/1075568691.db2.gz BMJBCUZGFSZVCB-IBGZPJMESA-N 1 2 423.473 0.520 20 0 HCADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462969550 1075568825 /nfs/dbraw/zinc/56/88/25/1075568825.db2.gz BMJBCUZGFSZVCB-LJQANCHMSA-N 1 2 423.473 0.520 20 0 HCADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462969550 1075568818 /nfs/dbraw/zinc/56/88/18/1075568818.db2.gz BMJBCUZGFSZVCB-LJQANCHMSA-N 1 2 423.473 0.520 20 0 HCADLO COc1cc(OC)c(CNC(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(OC)c1 ZINC000462970109 1075568743 /nfs/dbraw/zinc/56/87/43/1075568743.db2.gz CYCOVFYEJGHCPH-UHFFFAOYSA-N 1 2 402.451 0.481 20 0 HCADLO COc1cc(OC)c(CNC(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(OC)c1 ZINC000462970109 1075568736 /nfs/dbraw/zinc/56/87/36/1075568736.db2.gz CYCOVFYEJGHCPH-UHFFFAOYSA-N 1 2 402.451 0.481 20 0 HCADLO O=C(NCc1ccc(C(F)F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000462971488 1075569423 /nfs/dbraw/zinc/56/94/23/1075569423.db2.gz YDCHGUQLDNPXAC-UHFFFAOYSA-N 1 2 407.421 1.408 20 0 HCADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(Cc3ccc4c(c3)CCO4)CC1)CC2 ZINC000462973767 1075570281 /nfs/dbraw/zinc/57/02/81/1075570281.db2.gz BZTZHIDKLKCVBB-UHFFFAOYSA-N 1 2 423.517 0.418 20 0 HCADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(Cc3ccc4c(c3)CCO4)CC1)CC2 ZINC000462973767 1075570278 /nfs/dbraw/zinc/57/02/78/1075570278.db2.gz BZTZHIDKLKCVBB-UHFFFAOYSA-N 1 2 423.517 0.418 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000462974689 1075571099 /nfs/dbraw/zinc/57/10/99/1075571099.db2.gz VISGOSVYHBNODL-AVRDEDQJSA-N 1 2 401.507 0.330 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000462974690 1075571083 /nfs/dbraw/zinc/57/10/83/1075571083.db2.gz VISGOSVYHBNODL-GCJKJVERSA-N 1 2 401.507 0.330 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000462974691 1075571004 /nfs/dbraw/zinc/57/10/04/1075571004.db2.gz VISGOSVYHBNODL-PGRDOPGGSA-N 1 2 401.507 0.330 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000462974692 1075570956 /nfs/dbraw/zinc/57/09/56/1075570956.db2.gz VISGOSVYHBNODL-XMSQKQJNSA-N 1 2 401.507 0.330 20 0 HCADLO CCCCn1c2nc(C[N@H+]3CCc4nn(C)c(=O)cc4C3)n(CC)c2c(=O)[nH]c1=O ZINC000462976189 1075573285 /nfs/dbraw/zinc/57/32/85/1075573285.db2.gz JZZLUPQZBYSAJE-UHFFFAOYSA-N 1 2 413.482 0.771 20 0 HCADLO CCCCn1c2nc(C[N@@H+]3CCc4nn(C)c(=O)cc4C3)n(CC)c2c(=O)[nH]c1=O ZINC000462976189 1075573279 /nfs/dbraw/zinc/57/32/79/1075573279.db2.gz JZZLUPQZBYSAJE-UHFFFAOYSA-N 1 2 413.482 0.771 20 0 HCADLO COc1cc(CNC(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc(OC)c1OC ZINC000462976393 1075573568 /nfs/dbraw/zinc/57/35/68/1075573568.db2.gz BNHSYCIBMUYNDT-UHFFFAOYSA-N 1 2 402.451 0.481 20 0 HCADLO COc1cc(CNC(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc(OC)c1OC ZINC000462976393 1075573561 /nfs/dbraw/zinc/57/35/61/1075573561.db2.gz BNHSYCIBMUYNDT-UHFFFAOYSA-N 1 2 402.451 0.481 20 0 HCADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462977720 1075575196 /nfs/dbraw/zinc/57/51/96/1075575196.db2.gz QUHDSDQVWWLQFJ-UHFFFAOYSA-N 1 2 402.451 0.481 20 0 HCADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462977720 1075575188 /nfs/dbraw/zinc/57/51/88/1075575188.db2.gz QUHDSDQVWWLQFJ-UHFFFAOYSA-N 1 2 402.451 0.481 20 0 HCADLO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462977863 1075574741 /nfs/dbraw/zinc/57/47/41/1075574741.db2.gz RGLRPDZMTWSFGB-JTQLQIEISA-N 1 2 423.395 0.699 20 0 HCADLO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462977863 1075574737 /nfs/dbraw/zinc/57/47/37/1075574737.db2.gz RGLRPDZMTWSFGB-JTQLQIEISA-N 1 2 423.395 0.699 20 0 HCADLO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462977864 1075574757 /nfs/dbraw/zinc/57/47/57/1075574757.db2.gz RGLRPDZMTWSFGB-SNVBAGLBSA-N 1 2 423.395 0.699 20 0 HCADLO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462977864 1075574755 /nfs/dbraw/zinc/57/47/55/1075574755.db2.gz RGLRPDZMTWSFGB-SNVBAGLBSA-N 1 2 423.395 0.699 20 0 HCADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1ccc(C(=O)N3CCCC3)cc1)CC2 ZINC000462977990 1075574708 /nfs/dbraw/zinc/57/47/08/1075574708.db2.gz NRYFPBQGZGXLHG-UHFFFAOYSA-N 1 2 409.490 0.691 20 0 HCADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1ccc(C(=O)N3CCCC3)cc1)CC2 ZINC000462977990 1075574698 /nfs/dbraw/zinc/57/46/98/1075574698.db2.gz NRYFPBQGZGXLHG-UHFFFAOYSA-N 1 2 409.490 0.691 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462980394 1075575487 /nfs/dbraw/zinc/57/54/87/1075575487.db2.gz WTCDOZIMRQOMIF-CYBMUJFWSA-N 1 2 419.507 0.416 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462980394 1075575481 /nfs/dbraw/zinc/57/54/81/1075575481.db2.gz WTCDOZIMRQOMIF-CYBMUJFWSA-N 1 2 419.507 0.416 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462980395 1075575594 /nfs/dbraw/zinc/57/55/94/1075575594.db2.gz WTCDOZIMRQOMIF-ZDUSSCGKSA-N 1 2 419.507 0.416 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462980395 1075575590 /nfs/dbraw/zinc/57/55/90/1075575590.db2.gz WTCDOZIMRQOMIF-ZDUSSCGKSA-N 1 2 419.507 0.416 20 0 HCADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NC1CCN(C(=O)C3CCCCC3)CC1)CC2 ZINC000462982370 1075572834 /nfs/dbraw/zinc/57/28/34/1075572834.db2.gz VONRHTSQFVDDCX-UHFFFAOYSA-N 1 2 415.538 0.826 20 0 HCADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NC1CCN(C(=O)C3CCCCC3)CC1)CC2 ZINC000462982370 1075572832 /nfs/dbraw/zinc/57/28/32/1075572832.db2.gz VONRHTSQFVDDCX-UHFFFAOYSA-N 1 2 415.538 0.826 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000463011573 1075578753 /nfs/dbraw/zinc/57/87/53/1075578753.db2.gz OXSMUILWDOIHBA-INIZCTEOSA-N 1 2 418.469 0.182 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000463011577 1075578680 /nfs/dbraw/zinc/57/86/80/1075578680.db2.gz OXSMUILWDOIHBA-MRXNPFEDSA-N 1 2 418.469 0.182 20 0 HCADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cn1C ZINC000463032684 1075582269 /nfs/dbraw/zinc/58/22/69/1075582269.db2.gz IYCSNHAKVKBGKV-CYBMUJFWSA-N 1 2 411.553 0.974 20 0 HCADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cn1C ZINC000463032685 1075582207 /nfs/dbraw/zinc/58/22/07/1075582207.db2.gz IYCSNHAKVKBGKV-ZDUSSCGKSA-N 1 2 411.553 0.974 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000463079400 1075590691 /nfs/dbraw/zinc/59/06/91/1075590691.db2.gz AORPUXHUTZDCEI-KRWDZBQOSA-N 1 2 400.479 0.043 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000463079401 1075590786 /nfs/dbraw/zinc/59/07/86/1075590786.db2.gz AORPUXHUTZDCEI-QGZVFWFLSA-N 1 2 400.479 0.043 20 0 HCADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000463097617 1075603930 /nfs/dbraw/zinc/60/39/30/1075603930.db2.gz HIJVDCZSHZTKRG-CYBMUJFWSA-N 1 2 416.507 0.401 20 0 HCADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000463097618 1075603801 /nfs/dbraw/zinc/60/38/01/1075603801.db2.gz HIJVDCZSHZTKRG-ZDUSSCGKSA-N 1 2 416.507 0.401 20 0 HCADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000463099997 1075605052 /nfs/dbraw/zinc/60/50/52/1075605052.db2.gz VQIXHGDXDOMOAV-CYBMUJFWSA-N 1 2 416.507 0.401 20 0 HCADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000463099998 1075605177 /nfs/dbraw/zinc/60/51/77/1075605177.db2.gz VQIXHGDXDOMOAV-ZDUSSCGKSA-N 1 2 416.507 0.401 20 0 HCADLO CCOc1c(F)cccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000463102791 1075606659 /nfs/dbraw/zinc/60/66/59/1075606659.db2.gz GFRPKCPENAGOKL-UHFFFAOYSA-N 1 2 414.503 0.474 20 0 HCADLO Cc1cc2c(cc1C)O[C@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000463106383 1075598282 /nfs/dbraw/zinc/59/82/82/1075598282.db2.gz QIKLYJHYEBYTMD-IBGZPJMESA-N 1 2 422.551 0.243 20 0 HCADLO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000463106384 1075598343 /nfs/dbraw/zinc/59/83/43/1075598343.db2.gz QIKLYJHYEBYTMD-LJQANCHMSA-N 1 2 422.551 0.243 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)CC1 ZINC000463117388 1075614462 /nfs/dbraw/zinc/61/44/62/1075614462.db2.gz UZHOWNDDWQNHEO-UHFFFAOYSA-N 1 2 406.483 0.946 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)CC1 ZINC000463117388 1075614457 /nfs/dbraw/zinc/61/44/57/1075614457.db2.gz UZHOWNDDWQNHEO-UHFFFAOYSA-N 1 2 406.483 0.946 20 0 HCADLO C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)n1nnc(-c2ccccc2)n1 ZINC000463135570 1075622342 /nfs/dbraw/zinc/62/23/42/1075622342.db2.gz CVZYMJVLFROMBX-INIZCTEOSA-N 1 2 407.482 0.630 20 0 HCADLO C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)n1nnc(-c2ccccc2)n1 ZINC000463135571 1075622240 /nfs/dbraw/zinc/62/22/40/1075622240.db2.gz CVZYMJVLFROMBX-MRXNPFEDSA-N 1 2 407.482 0.630 20 0 HCADLO O=C(CNC(=O)c1cc2ccccc2[nH]1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000463136149 1075623945 /nfs/dbraw/zinc/62/39/45/1075623945.db2.gz HWMOYYVVFLVQKT-UHFFFAOYSA-N 1 2 407.478 0.626 20 0 HCADLO CC(C)(CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000463151436 1075630662 /nfs/dbraw/zinc/63/06/62/1075630662.db2.gz ONUFDVYZCLKJBE-IBGZPJMESA-N 1 2 418.538 0.867 20 0 HCADLO CC(C)(CNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000463151437 1075630716 /nfs/dbraw/zinc/63/07/16/1075630716.db2.gz ONUFDVYZCLKJBE-LJQANCHMSA-N 1 2 418.538 0.867 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463154318 1075631503 /nfs/dbraw/zinc/63/15/03/1075631503.db2.gz YWQOUMVWOQFDNH-HKUYNNGSSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463154319 1075631530 /nfs/dbraw/zinc/63/15/30/1075631530.db2.gz YWQOUMVWOQFDNH-IEBWSBKVSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463154320 1075631477 /nfs/dbraw/zinc/63/14/77/1075631477.db2.gz YWQOUMVWOQFDNH-MJGOQNOKSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463154321 1075631526 /nfs/dbraw/zinc/63/15/26/1075631526.db2.gz YWQOUMVWOQFDNH-PKOBYXMFSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000463165291 1075632047 /nfs/dbraw/zinc/63/20/47/1075632047.db2.gz PBRAHZOQFNGMPJ-CYBMUJFWSA-N 1 2 406.512 0.982 20 0 HCADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000463165292 1075627636 /nfs/dbraw/zinc/62/76/36/1075627636.db2.gz PBRAHZOQFNGMPJ-ZDUSSCGKSA-N 1 2 406.512 0.982 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000463168833 1075635268 /nfs/dbraw/zinc/63/52/68/1075635268.db2.gz IIGGIVFTYGDONO-KRWDZBQOSA-N 1 2 417.510 0.834 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000463168834 1075635247 /nfs/dbraw/zinc/63/52/47/1075635247.db2.gz IIGGIVFTYGDONO-QGZVFWFLSA-N 1 2 417.510 0.834 20 0 HCADLO CS(=O)(=O)NCCN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000463189019 1075646148 /nfs/dbraw/zinc/64/61/48/1075646148.db2.gz ASUQELJQEBNAOJ-UHFFFAOYSA-N 1 2 424.567 0.149 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000463190518 1075636932 /nfs/dbraw/zinc/63/69/32/1075636932.db2.gz DNKSAKVGLTUHQJ-AWEZNQCLSA-N 1 2 423.539 0.659 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000463190519 1075636821 /nfs/dbraw/zinc/63/68/21/1075636821.db2.gz DNKSAKVGLTUHQJ-CQSZACIVSA-N 1 2 423.539 0.659 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000463191997 1075638243 /nfs/dbraw/zinc/63/82/43/1075638243.db2.gz JYTNIAZMKXMKHX-UHFFFAOYSA-N 1 2 414.528 0.180 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCc2ccc(OC(C)C)cc2)CC1 ZINC000463193194 1075639364 /nfs/dbraw/zinc/63/93/64/1075639364.db2.gz NUZXLOALYSUMIU-UHFFFAOYSA-N 1 2 412.556 0.651 20 0 HCADLO CS(=O)(=O)NCCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000463193494 1075638974 /nfs/dbraw/zinc/63/89/74/1075638974.db2.gz OVOMEEVHUMMTMK-UHFFFAOYSA-N 1 2 400.570 0.406 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000463194229 1075640058 /nfs/dbraw/zinc/64/00/58/1075640058.db2.gz QEBUWGDVAJDBBY-AWEZNQCLSA-N 1 2 411.528 0.858 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000463194230 1075640079 /nfs/dbraw/zinc/64/00/79/1075640079.db2.gz QEBUWGDVAJDBBY-CQSZACIVSA-N 1 2 411.528 0.858 20 0 HCADLO CCCCOc1cccc(CNC(=O)C[NH+]2CCC(NS(=O)(=O)NC)CC2)c1 ZINC000463196991 1075641634 /nfs/dbraw/zinc/64/16/34/1075641634.db2.gz GSHOJHNEXCDOTG-UHFFFAOYSA-N 1 2 412.556 1.000 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000463197176 1075641678 /nfs/dbraw/zinc/64/16/78/1075641678.db2.gz PNKYTUWIJZSJKO-UHFFFAOYSA-N 1 2 418.947 0.695 20 0 HCADLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000463198215 1075642125 /nfs/dbraw/zinc/64/21/25/1075642125.db2.gz LKANNFXZGGFEDL-IBGZPJMESA-N 1 2 418.538 0.867 20 0 HCADLO CC1(C)C[N@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000463198215 1075642123 /nfs/dbraw/zinc/64/21/23/1075642123.db2.gz LKANNFXZGGFEDL-IBGZPJMESA-N 1 2 418.538 0.867 20 0 HCADLO CC1(C)C[N@@H+](CCNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000463198216 1075642145 /nfs/dbraw/zinc/64/21/45/1075642145.db2.gz LKANNFXZGGFEDL-LJQANCHMSA-N 1 2 418.538 0.867 20 0 HCADLO CC1(C)C[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000463198216 1075642142 /nfs/dbraw/zinc/64/21/42/1075642142.db2.gz LKANNFXZGGFEDL-LJQANCHMSA-N 1 2 418.538 0.867 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000463198981 1075653921 /nfs/dbraw/zinc/65/39/21/1075653921.db2.gz BHATZWOQGZEDAG-UHFFFAOYSA-N 1 2 402.492 0.311 20 0 HCADLO C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000463199050 1075653956 /nfs/dbraw/zinc/65/39/56/1075653956.db2.gz BRNBBJUNPCBVNM-BJLQDIEVSA-N 1 2 418.538 0.865 20 0 HCADLO C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000463199051 1075653879 /nfs/dbraw/zinc/65/38/79/1075653879.db2.gz BRNBBJUNPCBVNM-CMKODMSKSA-N 1 2 418.538 0.865 20 0 HCADLO C[C@H]([C@H](C)NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000463199052 1075653832 /nfs/dbraw/zinc/65/38/32/1075653832.db2.gz BRNBBJUNPCBVNM-NLWGTHIKSA-N 1 2 418.538 0.865 20 0 HCADLO C[C@H]([C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000463199053 1075653933 /nfs/dbraw/zinc/65/39/33/1075653933.db2.gz BRNBBJUNPCBVNM-NSHGMRRFSA-N 1 2 418.538 0.865 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)CC1 ZINC000463199353 1075653961 /nfs/dbraw/zinc/65/39/61/1075653961.db2.gz PFZZTQWVZOGOAT-GFCCVEGCSA-N 1 2 404.483 0.530 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)CC1 ZINC000463199355 1075653902 /nfs/dbraw/zinc/65/39/02/1075653902.db2.gz PFZZTQWVZOGOAT-LBPRGKRZSA-N 1 2 404.483 0.530 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000463199422 1075653947 /nfs/dbraw/zinc/65/39/47/1075653947.db2.gz CSIXDRHGONEYHW-UHFFFAOYSA-N 1 2 406.455 0.422 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2OC)CC1 ZINC000463200181 1075654781 /nfs/dbraw/zinc/65/47/81/1075654781.db2.gz FHGJBXPQKWJPPR-UHFFFAOYSA-N 1 2 414.528 0.180 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2cc(Cl)ccc2OC)CC1 ZINC000463200727 1075655202 /nfs/dbraw/zinc/65/52/02/1075655202.db2.gz HKNQRMYEWRXGGZ-UHFFFAOYSA-N 1 2 404.920 0.483 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2cccc(COC(C)C)c2)CC1 ZINC000463200808 1075655316 /nfs/dbraw/zinc/65/53/16/1075655316.db2.gz UXYFYQRYWFJGHB-UHFFFAOYSA-N 1 2 412.556 0.746 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccccc2COC(C)C)CC1 ZINC000463200902 1075655325 /nfs/dbraw/zinc/65/53/25/1075655325.db2.gz HOHNGXXMYDXAPI-UHFFFAOYSA-N 1 2 412.556 0.746 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000463201010 1075655247 /nfs/dbraw/zinc/65/52/47/1075655247.db2.gz CVPKULRQHXBUFY-AWEZNQCLSA-N 1 2 423.539 0.659 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000463201014 1075655223 /nfs/dbraw/zinc/65/52/23/1075655223.db2.gz CVPKULRQHXBUFY-CQSZACIVSA-N 1 2 423.539 0.659 20 0 HCADLO CCCOCc1ccccc1CNC(=O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000463201080 1075655192 /nfs/dbraw/zinc/65/51/92/1075655192.db2.gz IDDVQAPPJZLVKP-UHFFFAOYSA-N 1 2 412.556 0.748 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC1 ZINC000463201917 1075656136 /nfs/dbraw/zinc/65/61/36/1075656136.db2.gz KDKBYEXJJUICBV-UHFFFAOYSA-N 1 2 420.482 0.465 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000463201968 1075656072 /nfs/dbraw/zinc/65/60/72/1075656072.db2.gz MTUCJOUDQOVVGC-UHFFFAOYSA-N 1 2 404.920 0.353 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCCSc2ccccc2)CC1 ZINC000463202382 1075655747 /nfs/dbraw/zinc/65/57/47/1075655747.db2.gz YLVFCMQEBNDXDX-UHFFFAOYSA-N 1 2 400.570 0.803 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCCO[C@@H](C)c2ccccc2)CC1 ZINC000463202484 1075655725 /nfs/dbraw/zinc/65/57/25/1075655725.db2.gz NZIXRKDMROHDPT-INIZCTEOSA-N 1 2 412.556 0.789 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCCO[C@H](C)c2ccccc2)CC1 ZINC000463202485 1075655659 /nfs/dbraw/zinc/65/56/59/1075655659.db2.gz NZIXRKDMROHDPT-MRXNPFEDSA-N 1 2 412.556 0.789 20 0 HCADLO CS(=O)(=O)NCCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000463202653 1075656085 /nfs/dbraw/zinc/65/60/85/1075656085.db2.gz MQMFPEGOORVULE-UHFFFAOYSA-N 1 2 400.570 0.406 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000463203029 1075656943 /nfs/dbraw/zinc/65/69/43/1075656943.db2.gz IWRFUVLENLDREJ-UHFFFAOYSA-N 1 2 405.524 0.412 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000463203822 1075646892 /nfs/dbraw/zinc/64/68/92/1075646892.db2.gz PDOBYIPETSETTF-CYBMUJFWSA-N 1 2 412.512 0.693 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000463203823 1075646830 /nfs/dbraw/zinc/64/68/30/1075646830.db2.gz PDOBYIPETSETTF-ZDUSSCGKSA-N 1 2 412.512 0.693 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000463206328 1075648613 /nfs/dbraw/zinc/64/86/13/1075648613.db2.gz RSKQHDLTCXPWSE-UHFFFAOYSA-N 1 2 420.539 0.066 20 0 HCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206376 1075648601 /nfs/dbraw/zinc/64/86/01/1075648601.db2.gz XLVWMFJIQJKTQP-HKUYNNGSSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206376 1075648599 /nfs/dbraw/zinc/64/85/99/1075648599.db2.gz XLVWMFJIQJKTQP-HKUYNNGSSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206377 1075648643 /nfs/dbraw/zinc/64/86/43/1075648643.db2.gz XLVWMFJIQJKTQP-IEBWSBKVSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206377 1075648642 /nfs/dbraw/zinc/64/86/42/1075648642.db2.gz XLVWMFJIQJKTQP-IEBWSBKVSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206378 1075648539 /nfs/dbraw/zinc/64/85/39/1075648539.db2.gz XLVWMFJIQJKTQP-MJGOQNOKSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206378 1075648534 /nfs/dbraw/zinc/64/85/34/1075648534.db2.gz XLVWMFJIQJKTQP-MJGOQNOKSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206379 1075648637 /nfs/dbraw/zinc/64/86/37/1075648637.db2.gz XLVWMFJIQJKTQP-PKOBYXMFSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206379 1075648633 /nfs/dbraw/zinc/64/86/33/1075648633.db2.gz XLVWMFJIQJKTQP-PKOBYXMFSA-N 1 2 404.511 0.476 20 0 HCADLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206580 1075648593 /nfs/dbraw/zinc/64/85/93/1075648593.db2.gz XKFXPGVSJYNRFN-IBGZPJMESA-N 1 2 418.538 0.867 20 0 HCADLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206580 1075648590 /nfs/dbraw/zinc/64/85/90/1075648590.db2.gz XKFXPGVSJYNRFN-IBGZPJMESA-N 1 2 418.538 0.867 20 0 HCADLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206581 1075648655 /nfs/dbraw/zinc/64/86/55/1075648655.db2.gz XKFXPGVSJYNRFN-LJQANCHMSA-N 1 2 418.538 0.867 20 0 HCADLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463206581 1075648652 /nfs/dbraw/zinc/64/86/52/1075648652.db2.gz XKFXPGVSJYNRFN-LJQANCHMSA-N 1 2 418.538 0.867 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc(COC(C)C)cc2)CC1 ZINC000463207946 1075649769 /nfs/dbraw/zinc/64/97/69/1075649769.db2.gz DLCXPBKCSBOHRS-UHFFFAOYSA-N 1 2 412.556 0.746 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)CCOc2ccccc2F)CC1 ZINC000463208747 1075650339 /nfs/dbraw/zinc/65/03/39/1075650339.db2.gz GOKSXFBQXJUNPY-UHFFFAOYSA-N 1 2 402.492 0.181 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000463209624 1075650609 /nfs/dbraw/zinc/65/06/09/1075650609.db2.gz KXGQIIHUSICFKP-UHFFFAOYSA-N 1 2 420.539 0.049 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000463210410 1075650704 /nfs/dbraw/zinc/65/07/04/1075650704.db2.gz NHIQLRDSJWEGBJ-UHFFFAOYSA-N 1 2 424.445 0.720 20 0 HCADLO COc1ccc(C[NH+]2CCN(C(=O)CN(CCNS(C)(=O)=O)C3CC3)CC2)cc1 ZINC000463211192 1075651119 /nfs/dbraw/zinc/65/11/19/1075651119.db2.gz GHGUHOMAQYABIF-UHFFFAOYSA-N 1 2 424.567 0.353 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000463212029 1075651813 /nfs/dbraw/zinc/65/18/13/1075651813.db2.gz SLLKIAQNXRZUNT-UHFFFAOYSA-N 1 2 424.567 0.369 20 0 HCADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000463212374 1075651310 /nfs/dbraw/zinc/65/13/10/1075651310.db2.gz SWLPJZRNPKDDSM-HNNXBMFYSA-N 1 2 400.570 0.531 20 0 HCADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000463212375 1075651788 /nfs/dbraw/zinc/65/17/88/1075651788.db2.gz SWLPJZRNPKDDSM-OAHLLOKOSA-N 1 2 400.570 0.531 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000463212421 1075651815 /nfs/dbraw/zinc/65/18/15/1075651815.db2.gz UAJGICAATHLKLF-IBGZPJMESA-N 1 2 410.540 0.781 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000463212422 1075651765 /nfs/dbraw/zinc/65/17/65/1075651765.db2.gz UAJGICAATHLKLF-LJQANCHMSA-N 1 2 410.540 0.781 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)CCCOc2ccc(F)cc2)CC1 ZINC000463212659 1075652101 /nfs/dbraw/zinc/65/21/01/1075652101.db2.gz UOJKGFMFMMYADA-UHFFFAOYSA-N 1 2 416.519 0.571 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000463212673 1075652137 /nfs/dbraw/zinc/65/21/37/1075652137.db2.gz URVRDWJVDYSSMT-CYBMUJFWSA-N 1 2 406.512 0.922 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000463212674 1075652155 /nfs/dbraw/zinc/65/21/55/1075652155.db2.gz URVRDWJVDYSSMT-ZDUSSCGKSA-N 1 2 406.512 0.922 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000463213538 1075652186 /nfs/dbraw/zinc/65/21/86/1075652186.db2.gz MXXAAICNRQTXCJ-UHFFFAOYSA-N 1 2 406.512 0.007 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCCOc2ccccc2F)CC1 ZINC000463213931 1075652597 /nfs/dbraw/zinc/65/25/97/1075652597.db2.gz YXVWCWDOOOZSMR-UHFFFAOYSA-N 1 2 402.492 0.229 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000463213994 1075652630 /nfs/dbraw/zinc/65/26/30/1075652630.db2.gz ZPZHQRCHIBTSNE-LLVKDONJSA-N 1 2 401.464 0.381 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000463213995 1075652648 /nfs/dbraw/zinc/65/26/48/1075652648.db2.gz ZPZHQRCHIBTSNE-NSHDSACASA-N 1 2 401.464 0.381 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000463214061 1075652635 /nfs/dbraw/zinc/65/26/35/1075652635.db2.gz JTWRJCGYPUWGFA-KRWDZBQOSA-N 1 2 412.512 0.327 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000463214062 1075652651 /nfs/dbraw/zinc/65/26/51/1075652651.db2.gz JTWRJCGYPUWGFA-QGZVFWFLSA-N 1 2 412.512 0.327 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCOc2ccc(C(C)C)cc2)CC1 ZINC000463214438 1075652225 /nfs/dbraw/zinc/65/22/25/1075652225.db2.gz KSTDVOQAZRHPES-UHFFFAOYSA-N 1 2 412.556 0.823 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)CCOc2cc(C)cc(C)c2)CC1 ZINC000463214580 1075652262 /nfs/dbraw/zinc/65/22/62/1075652262.db2.gz SZPOTMBODSVOQX-UHFFFAOYSA-N 1 2 412.556 0.659 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)Cc2ccc(SC)cc2)CC1 ZINC000463214891 1075653350 /nfs/dbraw/zinc/65/33/50/1075653350.db2.gz MWIMYOBHXRZJSB-UHFFFAOYSA-N 1 2 400.570 0.885 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)CC1 ZINC000463215643 1075652623 /nfs/dbraw/zinc/65/26/23/1075652623.db2.gz PXVSFTJJMAWINL-UHFFFAOYSA-N 1 2 421.527 0.545 20 0 HCADLO CNS(=O)(=O)NC1CC[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC1 ZINC000463218477 1075664386 /nfs/dbraw/zinc/66/43/86/1075664386.db2.gz KURHQCGJONZZKJ-UHFFFAOYSA-N 1 2 409.537 0.927 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+]2CC[C@H](O)C2(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000463221810 1075658752 /nfs/dbraw/zinc/65/87/52/1075658752.db2.gz IMCMLZMMVPLAEK-INIZCTEOSA-N 1 2 400.479 0.688 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+]2CC[C@H](O)C2(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000463221810 1075658751 /nfs/dbraw/zinc/65/87/51/1075658751.db2.gz IMCMLZMMVPLAEK-INIZCTEOSA-N 1 2 400.479 0.688 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+]2CC[C@@H](O)C2(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000463221811 1075658691 /nfs/dbraw/zinc/65/86/91/1075658691.db2.gz IMCMLZMMVPLAEK-MRXNPFEDSA-N 1 2 400.479 0.688 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+]2CC[C@@H](O)C2(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000463221811 1075658689 /nfs/dbraw/zinc/65/86/89/1075658689.db2.gz IMCMLZMMVPLAEK-MRXNPFEDSA-N 1 2 400.479 0.688 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000463228978 1075661722 /nfs/dbraw/zinc/66/17/22/1075661722.db2.gz HSXBKKPZJACJLP-AAEUAGOBSA-N 1 2 403.451 0.561 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000463228978 1075661721 /nfs/dbraw/zinc/66/17/21/1075661721.db2.gz HSXBKKPZJACJLP-AAEUAGOBSA-N 1 2 403.451 0.561 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000463228979 1075661673 /nfs/dbraw/zinc/66/16/73/1075661673.db2.gz HSXBKKPZJACJLP-DGCLKSJQSA-N 1 2 403.451 0.561 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000463228979 1075661670 /nfs/dbraw/zinc/66/16/70/1075661670.db2.gz HSXBKKPZJACJLP-DGCLKSJQSA-N 1 2 403.451 0.561 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000463228980 1075661709 /nfs/dbraw/zinc/66/17/09/1075661709.db2.gz HSXBKKPZJACJLP-WCQYABFASA-N 1 2 403.451 0.561 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000463228980 1075661705 /nfs/dbraw/zinc/66/17/05/1075661705.db2.gz HSXBKKPZJACJLP-WCQYABFASA-N 1 2 403.451 0.561 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000463228981 1075661804 /nfs/dbraw/zinc/66/18/04/1075661804.db2.gz HSXBKKPZJACJLP-YPMHNXCESA-N 1 2 403.451 0.561 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000463228981 1075661800 /nfs/dbraw/zinc/66/18/00/1075661800.db2.gz HSXBKKPZJACJLP-YPMHNXCESA-N 1 2 403.451 0.561 20 0 HCADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(=O)[nH]c1=O ZINC000463231849 1075663366 /nfs/dbraw/zinc/66/33/66/1075663366.db2.gz WGUOIOIDEOXMIK-GFCCVEGCSA-N 1 2 417.457 0.634 20 0 HCADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(=O)[nH]c1=O ZINC000463231849 1075663357 /nfs/dbraw/zinc/66/33/57/1075663357.db2.gz WGUOIOIDEOXMIK-GFCCVEGCSA-N 1 2 417.457 0.634 20 0 HCADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c(=O)[nH]c1=O ZINC000463231850 1075663325 /nfs/dbraw/zinc/66/33/25/1075663325.db2.gz WGUOIOIDEOXMIK-LBPRGKRZSA-N 1 2 417.457 0.634 20 0 HCADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(=O)[nH]c1=O ZINC000463231850 1075663321 /nfs/dbraw/zinc/66/33/21/1075663321.db2.gz WGUOIOIDEOXMIK-LBPRGKRZSA-N 1 2 417.457 0.634 20 0 HCADLO COCn1nc(C)c(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1C ZINC000463234033 1075664865 /nfs/dbraw/zinc/66/48/65/1075664865.db2.gz QUTPNSLCOHCZJI-UHFFFAOYSA-N 1 2 423.543 0.384 20 0 HCADLO COc1cc(C(=O)NCCC[NH+]2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000463238352 1075665580 /nfs/dbraw/zinc/66/55/80/1075665580.db2.gz UTJJYBBVDKVAJG-UHFFFAOYSA-N 1 2 401.485 0.527 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000463276272 1075679739 /nfs/dbraw/zinc/67/97/39/1075679739.db2.gz ASQOGMZTKUPPCR-GOSISDBHSA-N 1 2 420.533 0.979 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000463276273 1075679541 /nfs/dbraw/zinc/67/95/41/1075679541.db2.gz ASQOGMZTKUPPCR-SFHVURJKSA-N 1 2 420.533 0.979 20 0 HCADLO CC(C)OC(=O)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000463288435 1075685809 /nfs/dbraw/zinc/68/58/09/1075685809.db2.gz OLTJZAZAFFSIJT-UHFFFAOYSA-N 1 2 420.514 0.877 20 0 HCADLO CC(C)OC(=O)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000463288435 1075685803 /nfs/dbraw/zinc/68/58/03/1075685803.db2.gz OLTJZAZAFFSIJT-UHFFFAOYSA-N 1 2 420.514 0.877 20 0 HCADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000463302931 1075684902 /nfs/dbraw/zinc/68/49/02/1075684902.db2.gz CHQSDASRUOFJGC-INIZCTEOSA-N 1 2 419.507 0.707 20 0 HCADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000463302946 1075684909 /nfs/dbraw/zinc/68/49/09/1075684909.db2.gz CHQSDASRUOFJGC-MRXNPFEDSA-N 1 2 419.507 0.707 20 0 HCADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000463314352 1075692213 /nfs/dbraw/zinc/69/22/13/1075692213.db2.gz INTYKKKVIHZVHN-UHFFFAOYSA-N 1 2 414.466 0.897 20 0 HCADLO Cc1cc(C)n(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c(=O)n1 ZINC000463317174 1075693011 /nfs/dbraw/zinc/69/30/11/1075693011.db2.gz MPJIQLZKTHNDDY-UHFFFAOYSA-N 1 2 400.479 0.888 20 0 HCADLO CN(C)c1nc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc(=O)[nH]1 ZINC000463317967 1075693629 /nfs/dbraw/zinc/69/36/29/1075693629.db2.gz PKXVYSVFQUDUPQ-UHFFFAOYSA-N 1 2 401.467 0.889 20 0 HCADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000463329072 1075696227 /nfs/dbraw/zinc/69/62/27/1075696227.db2.gz MJKGJTJYWBJBHI-INIZCTEOSA-N 1 2 423.539 0.385 20 0 HCADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000463329073 1075696199 /nfs/dbraw/zinc/69/61/99/1075696199.db2.gz MJKGJTJYWBJBHI-MRXNPFEDSA-N 1 2 423.539 0.385 20 0 HCADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000463335892 1075698497 /nfs/dbraw/zinc/69/84/97/1075698497.db2.gz MDVIDWZNHVKYHF-INIZCTEOSA-N 1 2 419.507 0.707 20 0 HCADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000463335893 1075698560 /nfs/dbraw/zinc/69/85/60/1075698560.db2.gz MDVIDWZNHVKYHF-MRXNPFEDSA-N 1 2 419.507 0.707 20 0 HCADLO CC1(C)[C@@H](O)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000463337969 1075699313 /nfs/dbraw/zinc/69/93/13/1075699313.db2.gz YQZFIZJHKGFYTI-HNNXBMFYSA-N 1 2 411.528 0.088 20 0 HCADLO CC1(C)[C@H](O)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000463337973 1075699318 /nfs/dbraw/zinc/69/93/18/1075699318.db2.gz YQZFIZJHKGFYTI-OAHLLOKOSA-N 1 2 411.528 0.088 20 0 HCADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000463338523 1075699363 /nfs/dbraw/zinc/69/93/63/1075699363.db2.gz CJFAXXZTGFNYBL-HNNXBMFYSA-N 1 2 419.569 0.640 20 0 HCADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000463338524 1075699374 /nfs/dbraw/zinc/69/93/74/1075699374.db2.gz CJFAXXZTGFNYBL-OAHLLOKOSA-N 1 2 419.569 0.640 20 0 HCADLO O=C(Cn1cccn1)Nc1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000463339892 1075700410 /nfs/dbraw/zinc/70/04/10/1075700410.db2.gz LFSVBVXJALOVRY-UHFFFAOYSA-N 1 2 421.523 0.664 20 0 HCADLO O=S(=O)(CCCN1CCOCC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000463341159 1075700607 /nfs/dbraw/zinc/70/06/07/1075700607.db2.gz USQKXVZKGVTVRA-UHFFFAOYSA-N 1 2 417.494 0.625 20 0 HCADLO CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463342956 1075701154 /nfs/dbraw/zinc/70/11/54/1075701154.db2.gz KLESRUVTJPUBLM-AWEZNQCLSA-N 1 2 405.542 0.297 20 0 HCADLO CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463342957 1075701241 /nfs/dbraw/zinc/70/12/41/1075701241.db2.gz KLESRUVTJPUBLM-CQSZACIVSA-N 1 2 405.542 0.297 20 0 HCADLO O=C(c1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000463343470 1075701270 /nfs/dbraw/zinc/70/12/70/1075701270.db2.gz IGQYFEDOVIMQKU-UHFFFAOYSA-N 1 2 411.524 0.301 20 0 HCADLO CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000463343491 1075701209 /nfs/dbraw/zinc/70/12/09/1075701209.db2.gz CAXADCKHKPUSAC-UHFFFAOYSA-N 1 2 419.569 0.515 20 0 HCADLO O=C(Nc1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000463343709 1075701228 /nfs/dbraw/zinc/70/12/28/1075701228.db2.gz GUSGGZMVECFRAT-GOSISDBHSA-N 1 2 411.524 0.946 20 0 HCADLO O=C(Nc1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1)[C@@H]1CCCO1 ZINC000463343710 1075701255 /nfs/dbraw/zinc/70/12/55/1075701255.db2.gz GUSGGZMVECFRAT-SFHVURJKSA-N 1 2 411.524 0.946 20 0 HCADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463344970 1075701522 /nfs/dbraw/zinc/70/15/22/1075701522.db2.gz USFCBWWGKJOUKR-GOSISDBHSA-N 1 2 409.508 0.894 20 0 HCADLO O=C(CCNS(=O)(=O)CCC[NH+]1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000463345856 1075701917 /nfs/dbraw/zinc/70/19/17/1075701917.db2.gz ZTPZHOMVHJNKSY-UHFFFAOYSA-N 1 2 424.567 0.367 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463347157 1075702406 /nfs/dbraw/zinc/70/24/06/1075702406.db2.gz XAPMCNKHBZYNHM-UHFFFAOYSA-N 1 2 405.542 0.079 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccc(-c3noc(-c4cccn5c(=O)[nH]nc45)n3)cn2)CC1 ZINC000463347549 1075702158 /nfs/dbraw/zinc/70/21/58/1075702158.db2.gz ZVTPSOQNNCHKPN-UHFFFAOYSA-N 1 2 406.406 0.935 20 0 HCADLO O=C1NC2(CCCCC2)C(=O)N1CCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463348359 1075702544 /nfs/dbraw/zinc/70/25/44/1075702544.db2.gz KUZZQJAYEYSVDF-UHFFFAOYSA-N 1 2 416.544 0.273 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000463349801 1075703658 /nfs/dbraw/zinc/70/36/58/1075703658.db2.gz NQTBRGOPNZLFLS-UHFFFAOYSA-N 1 2 407.418 0.890 20 0 HCADLO O=C(NCCn1cc[nH+]c1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000463350505 1075703332 /nfs/dbraw/zinc/70/33/32/1075703332.db2.gz LKDMMDMXHXVAPB-UHFFFAOYSA-N 1 2 407.452 0.027 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000463350829 1075703952 /nfs/dbraw/zinc/70/39/52/1075703952.db2.gz LSZMFNGDXWNOCE-CYBMUJFWSA-N 1 2 421.479 0.415 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000463350830 1075703930 /nfs/dbraw/zinc/70/39/30/1075703930.db2.gz LSZMFNGDXWNOCE-ZDUSSCGKSA-N 1 2 421.479 0.415 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000463351269 1075703991 /nfs/dbraw/zinc/70/39/91/1075703991.db2.gz NGTRMYKOQQYDPL-UHFFFAOYSA-N 1 2 421.479 0.417 20 0 HCADLO CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463351497 1075703910 /nfs/dbraw/zinc/70/39/10/1075703910.db2.gz LVUWNDIMOHEOSB-UHFFFAOYSA-N 1 2 424.567 0.497 20 0 HCADLO O=C(CC(F)(F)F)N1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463352502 1075704274 /nfs/dbraw/zinc/70/42/74/1075704274.db2.gz DAPUBGIUBHPDEQ-UHFFFAOYSA-N 1 2 401.451 0.572 20 0 HCADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463352860 1075705040 /nfs/dbraw/zinc/70/50/40/1075705040.db2.gz DWDIOEZNOUQINW-HNNXBMFYSA-N 1 2 419.569 0.640 20 0 HCADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000463352861 1075704871 /nfs/dbraw/zinc/70/48/71/1075704871.db2.gz DWDIOEZNOUQINW-OAHLLOKOSA-N 1 2 419.569 0.640 20 0 HCADLO O=C(CNS(=O)(=O)CCC[NH+]1CCOCC1)Nc1ccc(-n2cccn2)cc1 ZINC000463353020 1075704889 /nfs/dbraw/zinc/70/48/89/1075704889.db2.gz SZXAWJKVCOGRLW-UHFFFAOYSA-N 1 2 407.496 0.453 20 0 HCADLO O=C([C@H](Cc1ccccc1)NS(=O)(=O)CCC[NH+]1CCOCC1)N1CCCC1 ZINC000463354085 1075705453 /nfs/dbraw/zinc/70/54/53/1075705453.db2.gz XQVTVYIKKMILKG-IBGZPJMESA-N 1 2 409.552 0.862 20 0 HCADLO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)CCC[NH+]1CCOCC1)N1CCCC1 ZINC000463354086 1075705681 /nfs/dbraw/zinc/70/56/81/1075705681.db2.gz XQVTVYIKKMILKG-LJQANCHMSA-N 1 2 409.552 0.862 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000463354125 1075705757 /nfs/dbraw/zinc/70/57/57/1075705757.db2.gz YHTFIPXJSWAJFJ-IBGZPJMESA-N 1 2 415.531 0.841 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000463354126 1075705776 /nfs/dbraw/zinc/70/57/76/1075705776.db2.gz YHTFIPXJSWAJFJ-LJQANCHMSA-N 1 2 415.531 0.841 20 0 HCADLO CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000463354254 1075705421 /nfs/dbraw/zinc/70/54/21/1075705421.db2.gz NISYBPMNVWCUFJ-AWEZNQCLSA-N 1 2 405.542 0.297 20 0 HCADLO CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000463354422 1075705441 /nfs/dbraw/zinc/70/54/41/1075705441.db2.gz NISYBPMNVWCUFJ-CQSZACIVSA-N 1 2 405.542 0.297 20 0 HCADLO NC(=O)[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000463354571 1075705163 /nfs/dbraw/zinc/70/51/63/1075705163.db2.gz KTVGTPXEQNCCNH-AWEZNQCLSA-N 1 2 420.329 0.617 20 0 HCADLO NC(=O)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000463354572 1075705193 /nfs/dbraw/zinc/70/51/93/1075705193.db2.gz KTVGTPXEQNCCNH-CQSZACIVSA-N 1 2 420.329 0.617 20 0 HCADLO O=C(C1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1)N1CCSCC1 ZINC000463355495 1075706410 /nfs/dbraw/zinc/70/64/10/1075706410.db2.gz XFHCAAOEQZHWHZ-UHFFFAOYSA-N 1 2 419.613 0.762 20 0 HCADLO COc1ccc(CCNS(=O)(=O)CCC[NH+]2CCOCC2)c(OC)c1OC ZINC000463355692 1075706486 /nfs/dbraw/zinc/70/64/86/1075706486.db2.gz YXWOBBWRCJQAKK-UHFFFAOYSA-N 1 2 402.513 0.897 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000463357977 1075707508 /nfs/dbraw/zinc/70/75/08/1075707508.db2.gz BSKLVOYKTBWHOY-UHFFFAOYSA-N 1 2 402.476 0.871 20 0 HCADLO C[C@@H](C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)n1nnc(-c2ccccc2)n1 ZINC000463360038 1075707938 /nfs/dbraw/zinc/70/79/38/1075707938.db2.gz HRDQRCPUOPMQRA-AWEZNQCLSA-N 1 2 418.465 0.927 20 0 HCADLO C[C@H](C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)n1nnc(-c2ccccc2)n1 ZINC000463360039 1075707989 /nfs/dbraw/zinc/70/79/89/1075707989.db2.gz HRDQRCPUOPMQRA-CQSZACIVSA-N 1 2 418.465 0.927 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000463361904 1075708621 /nfs/dbraw/zinc/70/86/21/1075708621.db2.gz OPJCOURSPOVZDQ-UHFFFAOYSA-N 1 2 418.461 0.923 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 ZINC000463362272 1075708881 /nfs/dbraw/zinc/70/88/81/1075708881.db2.gz QRIWDLZCLDHCTE-UHFFFAOYSA-N 1 2 403.450 0.966 20 0 HCADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463370468 1075711231 /nfs/dbraw/zinc/71/12/31/1075711231.db2.gz UBPVVSJYUVZPBF-FQEVSTJZSA-N 1 2 419.503 0.917 20 0 HCADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463370468 1075711220 /nfs/dbraw/zinc/71/12/20/1075711220.db2.gz UBPVVSJYUVZPBF-FQEVSTJZSA-N 1 2 419.503 0.917 20 0 HCADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463370469 1075711123 /nfs/dbraw/zinc/71/11/23/1075711123.db2.gz UBPVVSJYUVZPBF-HXUWFJFHSA-N 1 2 419.503 0.917 20 0 HCADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463370469 1075711112 /nfs/dbraw/zinc/71/11/12/1075711112.db2.gz UBPVVSJYUVZPBF-HXUWFJFHSA-N 1 2 419.503 0.917 20 0 HCADLO COc1cc(C(=O)NCCCC[NH+]2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000463373301 1075715002 /nfs/dbraw/zinc/71/50/02/1075715002.db2.gz CHGBCYBCVDLANT-UHFFFAOYSA-N 1 2 415.512 0.918 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000463382016 1075712439 /nfs/dbraw/zinc/71/24/39/1075712439.db2.gz QQHAGWPIFSEWAV-UHFFFAOYSA-N 1 2 402.476 0.739 20 0 HCADLO O=C(CCC1CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000463385667 1075714279 /nfs/dbraw/zinc/71/42/79/1075714279.db2.gz AOONTVWWVGBBTG-UHFFFAOYSA-N 1 2 410.540 0.856 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2c[nH]nc2C1 ZINC000463391468 1075720964 /nfs/dbraw/zinc/72/09/64/1075720964.db2.gz MJOIFNNPAPMJLG-HNNXBMFYSA-N 1 2 418.523 0.178 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2c[nH]nc2C1 ZINC000463391469 1075721069 /nfs/dbraw/zinc/72/10/69/1075721069.db2.gz MJOIFNNPAPMJLG-OAHLLOKOSA-N 1 2 418.523 0.178 20 0 HCADLO COCc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000463395655 1075723236 /nfs/dbraw/zinc/72/32/36/1075723236.db2.gz SEEKJQJUIFHWNT-UHFFFAOYSA-N 1 2 409.468 0.098 20 0 HCADLO CS(=O)(=O)c1ccc(OCCNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463410314 1075728424 /nfs/dbraw/zinc/72/84/24/1075728424.db2.gz AMFDGCSRSONLMM-UHFFFAOYSA-N 1 2 406.526 0.111 20 0 HCADLO CC[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000463410360 1075728382 /nfs/dbraw/zinc/72/83/82/1075728382.db2.gz BIAIKBSBTWYVDT-INIZCTEOSA-N 1 2 405.542 0.427 20 0 HCADLO CC[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000463410361 1075728173 /nfs/dbraw/zinc/72/81/73/1075728173.db2.gz BIAIKBSBTWYVDT-MRXNPFEDSA-N 1 2 405.542 0.427 20 0 HCADLO COC(=O)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1cccc(F)c1 ZINC000463411978 1075729101 /nfs/dbraw/zinc/72/91/01/1075729101.db2.gz HIOVMEPPYBROIL-INIZCTEOSA-N 1 2 402.488 0.799 20 0 HCADLO COC(=O)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1cccc(F)c1 ZINC000463411979 1075728874 /nfs/dbraw/zinc/72/88/74/1075728874.db2.gz HIOVMEPPYBROIL-MRXNPFEDSA-N 1 2 402.488 0.799 20 0 HCADLO O=C1c2ccccc2C(=O)N1CCCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463414570 1075730119 /nfs/dbraw/zinc/73/01/19/1075730119.db2.gz GOVUQSUDYXWCEK-UHFFFAOYSA-N 1 2 409.508 0.705 20 0 HCADLO NC(=O)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccccc1Cl ZINC000463414612 1075730005 /nfs/dbraw/zinc/73/00/05/1075730005.db2.gz GWDOVMJIJWTSIZ-HNNXBMFYSA-N 1 2 403.932 0.626 20 0 HCADLO NC(=O)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccccc1Cl ZINC000463414613 1075730184 /nfs/dbraw/zinc/73/01/84/1075730184.db2.gz GWDOVMJIJWTSIZ-OAHLLOKOSA-N 1 2 403.932 0.626 20 0 HCADLO O=C1C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000463414764 1075730164 /nfs/dbraw/zinc/73/01/64/1075730164.db2.gz PCKSSUZEOLZVHG-FHWLQOOXSA-N 1 2 407.536 0.785 20 0 HCADLO O=C1C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000463414765 1075730060 /nfs/dbraw/zinc/73/00/60/1075730060.db2.gz PCKSSUZEOLZVHG-GBESFXJTSA-N 1 2 407.536 0.785 20 0 HCADLO O=C1C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000463414766 1075729998 /nfs/dbraw/zinc/72/99/98/1075729998.db2.gz PCKSSUZEOLZVHG-IPMKNSEASA-N 1 2 407.536 0.785 20 0 HCADLO O=C1C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000463414767 1075730076 /nfs/dbraw/zinc/73/00/76/1075730076.db2.gz PCKSSUZEOLZVHG-OTWHNJEPSA-N 1 2 407.536 0.785 20 0 HCADLO Cn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(C2CC2)n1 ZINC000463414979 1075731114 /nfs/dbraw/zinc/73/11/14/1075731114.db2.gz KQHARIGVORJQDI-UHFFFAOYSA-N 1 2 418.523 0.574 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)CCCN1CCOCC1 ZINC000463415098 1075731201 /nfs/dbraw/zinc/73/12/01/1075731201.db2.gz HVCHUASBVUGWNU-IBGZPJMESA-N 1 2 410.584 0.839 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)CCCN1CCOCC1 ZINC000463415099 1075731108 /nfs/dbraw/zinc/73/11/08/1075731108.db2.gz HVCHUASBVUGWNU-LJQANCHMSA-N 1 2 410.584 0.839 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CCCN1CCOCC1 ZINC000463417252 1075732261 /nfs/dbraw/zinc/73/22/61/1075732261.db2.gz WVPYGSJIFJBPHU-GOSISDBHSA-N 1 2 411.572 0.234 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CCCN1CCOCC1 ZINC000463417253 1075732182 /nfs/dbraw/zinc/73/21/82/1075732182.db2.gz WVPYGSJIFJBPHU-SFHVURJKSA-N 1 2 411.572 0.234 20 0 HCADLO COc1cc(OC)c(CCNS(=O)(=O)CCC[NH+]2CCOCC2)c(OC)c1 ZINC000463421659 1075733206 /nfs/dbraw/zinc/73/32/06/1075733206.db2.gz LSJZPOYQAGTFOG-UHFFFAOYSA-N 1 2 402.513 0.897 20 0 HCADLO O=C1[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CCN1CCCc1ccccc1 ZINC000463422198 1075735047 /nfs/dbraw/zinc/73/50/47/1075735047.db2.gz TWLNTIPNIZIVBG-IBGZPJMESA-N 1 2 409.552 0.862 20 0 HCADLO O=C1[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CCN1CCCc1ccccc1 ZINC000463422199 1075734906 /nfs/dbraw/zinc/73/49/06/1075734906.db2.gz TWLNTIPNIZIVBG-LJQANCHMSA-N 1 2 409.552 0.862 20 0 HCADLO COc1cc(NC(=O)CNS(=O)(=O)CCC[NH+]2CCOCC2)cc(OC)c1 ZINC000463422254 1075735032 /nfs/dbraw/zinc/73/50/32/1075735032.db2.gz UROXXMJKHFFZRW-UHFFFAOYSA-N 1 2 401.485 0.284 20 0 HCADLO COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)CCC[NH+]3CCOCC3)C2)c1 ZINC000463423132 1075735273 /nfs/dbraw/zinc/73/52/73/1075735273.db2.gz BWYNEEKDYROKHZ-INIZCTEOSA-N 1 2 413.540 0.924 20 0 HCADLO COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)CCC[NH+]3CCOCC3)C2)c1 ZINC000463423133 1075735357 /nfs/dbraw/zinc/73/53/57/1075735357.db2.gz BWYNEEKDYROKHZ-MRXNPFEDSA-N 1 2 413.540 0.924 20 0 HCADLO CCN(CC1CC1)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000463423320 1075735416 /nfs/dbraw/zinc/73/54/16/1075735416.db2.gz IAUHKDYMHNUGHI-KRWDZBQOSA-N 1 2 424.571 0.848 20 0 HCADLO CCN(CC1CC1)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000463423320 1075735412 /nfs/dbraw/zinc/73/54/12/1075735412.db2.gz IAUHKDYMHNUGHI-KRWDZBQOSA-N 1 2 424.571 0.848 20 0 HCADLO CCN(CC1CC1)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000463423321 1075735310 /nfs/dbraw/zinc/73/53/10/1075735310.db2.gz IAUHKDYMHNUGHI-QGZVFWFLSA-N 1 2 424.571 0.848 20 0 HCADLO CCN(CC1CC1)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000463423321 1075735308 /nfs/dbraw/zinc/73/53/08/1075735308.db2.gz IAUHKDYMHNUGHI-QGZVFWFLSA-N 1 2 424.571 0.848 20 0 HCADLO O=C1C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1CCOc1ccccc1 ZINC000463423587 1075735434 /nfs/dbraw/zinc/73/54/34/1075735434.db2.gz GZYDSSCXGODJRJ-KRWDZBQOSA-N 1 2 411.524 0.308 20 0 HCADLO O=C1C[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1CCOc1ccccc1 ZINC000463423588 1075735256 /nfs/dbraw/zinc/73/52/56/1075735256.db2.gz GZYDSSCXGODJRJ-QGZVFWFLSA-N 1 2 411.524 0.308 20 0 HCADLO COc1ccc(C[C@H](CO)CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1O ZINC000463424171 1075735878 /nfs/dbraw/zinc/73/58/78/1075735878.db2.gz MARGTXBVAVNBNM-INIZCTEOSA-N 1 2 402.513 0.194 20 0 HCADLO COc1ccc(C[C@@H](CO)CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1O ZINC000463424172 1075735738 /nfs/dbraw/zinc/73/57/38/1075735738.db2.gz MARGTXBVAVNBNM-MRXNPFEDSA-N 1 2 402.513 0.194 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1cc(F)ccc1N1CCOCC1 ZINC000463424428 1075735834 /nfs/dbraw/zinc/73/58/34/1075735834.db2.gz ACCGIECCIMWZQV-UHFFFAOYSA-N 1 2 401.504 0.804 20 0 HCADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)CCCN1CCOCC1 ZINC000463425767 1075735775 /nfs/dbraw/zinc/73/57/75/1075735775.db2.gz VJAYBNYTVXUIGO-UHFFFAOYSA-N 1 2 410.584 0.793 20 0 HCADLO COc1cc([C@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)ccc1OCCO ZINC000463426505 1075736188 /nfs/dbraw/zinc/73/61/88/1075736188.db2.gz AXJFKYNRZCTNFR-HNNXBMFYSA-N 1 2 402.513 0.769 20 0 HCADLO COc1cc([C@@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)ccc1OCCO ZINC000463426513 1075736054 /nfs/dbraw/zinc/73/60/54/1075736054.db2.gz AXJFKYNRZCTNFR-OAHLLOKOSA-N 1 2 402.513 0.769 20 0 HCADLO CCN(CC1CC1)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000463427800 1075736487 /nfs/dbraw/zinc/73/64/87/1075736487.db2.gz WNDSYMJVDJSGPZ-UHFFFAOYSA-N 1 2 410.544 0.412 20 0 HCADLO CCN(CC1CC1)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000463427800 1075736477 /nfs/dbraw/zinc/73/64/77/1075736477.db2.gz WNDSYMJVDJSGPZ-UHFFFAOYSA-N 1 2 410.544 0.412 20 0 HCADLO COC(=O)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccc(O)cc1 ZINC000463427875 1075737763 /nfs/dbraw/zinc/73/77/63/1075737763.db2.gz IABGZXWPMPMHPO-INIZCTEOSA-N 1 2 400.497 0.366 20 0 HCADLO COC(=O)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccc(O)cc1 ZINC000463427876 1075737611 /nfs/dbraw/zinc/73/76/11/1075737611.db2.gz IABGZXWPMPMHPO-MRXNPFEDSA-N 1 2 400.497 0.366 20 0 HCADLO COc1ccc(CN2CC[C@@H](NS(=O)(=O)CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000463429686 1075737803 /nfs/dbraw/zinc/73/78/03/1075737803.db2.gz QTBKFGGUMDKUHB-GOSISDBHSA-N 1 2 411.524 0.438 20 0 HCADLO COc1ccc(CN2CC[C@H](NS(=O)(=O)CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000463429687 1075737835 /nfs/dbraw/zinc/73/78/35/1075737835.db2.gz QTBKFGGUMDKUHB-SFHVURJKSA-N 1 2 411.524 0.438 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+](CC)[C@H]2CCOC2)c(N)n(Cc2ccccc2)c1=O ZINC000463435210 1075740109 /nfs/dbraw/zinc/74/01/09/1075740109.db2.gz IBNMMDKOQRJPBM-INIZCTEOSA-N 1 2 400.479 0.954 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+](CC)[C@H]2CCOC2)c(N)n(Cc2ccccc2)c1=O ZINC000463435210 1075740106 /nfs/dbraw/zinc/74/01/06/1075740106.db2.gz IBNMMDKOQRJPBM-INIZCTEOSA-N 1 2 400.479 0.954 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+](CC)[C@@H]2CCOC2)c(N)n(Cc2ccccc2)c1=O ZINC000463435211 1075740136 /nfs/dbraw/zinc/74/01/36/1075740136.db2.gz IBNMMDKOQRJPBM-MRXNPFEDSA-N 1 2 400.479 0.954 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+](CC)[C@@H]2CCOC2)c(N)n(Cc2ccccc2)c1=O ZINC000463435211 1075740134 /nfs/dbraw/zinc/74/01/34/1075740134.db2.gz IBNMMDKOQRJPBM-MRXNPFEDSA-N 1 2 400.479 0.954 20 0 HCADLO COc1cccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[NH+](C)C)c1 ZINC000463435839 1075739688 /nfs/dbraw/zinc/73/96/88/1075739688.db2.gz UXMNQHSDAQIHOI-GOSISDBHSA-N 1 2 419.503 0.987 20 0 HCADLO COc1cccc([C@H](CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[NH+](C)C)c1 ZINC000463435840 1075739753 /nfs/dbraw/zinc/73/97/53/1075739753.db2.gz UXMNQHSDAQIHOI-SFHVURJKSA-N 1 2 419.503 0.987 20 0 HCADLO COc1cc(C(=O)NCCCN2CC[NH+](C)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463441522 1075748464 /nfs/dbraw/zinc/74/84/64/1075748464.db2.gz IYGADFTXCPTCGC-UHFFFAOYSA-N 1 2 414.528 0.443 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000463449947 1075746326 /nfs/dbraw/zinc/74/63/26/1075746326.db2.gz MEOAMNBRTJYFCW-KRWDZBQOSA-N 1 2 401.488 0.950 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000463449947 1075746322 /nfs/dbraw/zinc/74/63/22/1075746322.db2.gz MEOAMNBRTJYFCW-KRWDZBQOSA-N 1 2 401.488 0.950 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000463449948 1075746195 /nfs/dbraw/zinc/74/61/95/1075746195.db2.gz MEOAMNBRTJYFCW-QGZVFWFLSA-N 1 2 401.488 0.950 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000463449948 1075746191 /nfs/dbraw/zinc/74/61/91/1075746191.db2.gz MEOAMNBRTJYFCW-QGZVFWFLSA-N 1 2 401.488 0.950 20 0 HCADLO CC(C)(C)n1nnnc1C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000463471224 1075753302 /nfs/dbraw/zinc/75/33/02/1075753302.db2.gz VRIWPKIYIGTZKH-UHFFFAOYSA-N 1 2 421.527 0.926 20 0 HCADLO C=Cc1ccc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000463478476 1075751199 /nfs/dbraw/zinc/75/11/99/1075751199.db2.gz NVJLUMBIOCDKJQ-UHFFFAOYSA-N 1 2 421.567 0.692 20 0 HCADLO CO[C@@](C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000463501737 1075758139 /nfs/dbraw/zinc/75/81/39/1075758139.db2.gz XUVDXYJOPKHIPW-FQEVSTJZSA-N 1 2 404.515 0.960 20 0 HCADLO CO[C@@](C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000463501737 1075758131 /nfs/dbraw/zinc/75/81/31/1075758131.db2.gz XUVDXYJOPKHIPW-FQEVSTJZSA-N 1 2 404.515 0.960 20 0 HCADLO CO[C@](C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000463501738 1075757977 /nfs/dbraw/zinc/75/79/77/1075757977.db2.gz XUVDXYJOPKHIPW-HXUWFJFHSA-N 1 2 404.515 0.960 20 0 HCADLO CO[C@](C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000463501738 1075757970 /nfs/dbraw/zinc/75/79/70/1075757970.db2.gz XUVDXYJOPKHIPW-HXUWFJFHSA-N 1 2 404.515 0.960 20 0 HCADLO CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000463517563 1075764142 /nfs/dbraw/zinc/76/41/42/1075764142.db2.gz VORDLLPHYLLBPC-MSOLQXFVSA-N 1 2 416.588 0.608 20 0 HCADLO CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000463517564 1075764163 /nfs/dbraw/zinc/76/41/63/1075764163.db2.gz VORDLLPHYLLBPC-QZTJIDSGSA-N 1 2 416.588 0.608 20 0 HCADLO CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000463517565 1075764253 /nfs/dbraw/zinc/76/42/53/1075764253.db2.gz VORDLLPHYLLBPC-ROUUACIJSA-N 1 2 416.588 0.608 20 0 HCADLO CC[C@H]1CCCC[C@H]1OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000463517566 1075764279 /nfs/dbraw/zinc/76/42/79/1075764279.db2.gz VORDLLPHYLLBPC-ZWKOTPCHSA-N 1 2 416.588 0.608 20 0 HCADLO Cc1nc(C)c(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1C ZINC000463581407 1075771191 /nfs/dbraw/zinc/77/11/91/1075771191.db2.gz CXMFXEQIQNITGN-UHFFFAOYSA-N 1 2 418.523 0.679 20 0 HCADLO CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000463602911 1075774957 /nfs/dbraw/zinc/77/49/57/1075774957.db2.gz WMPWLECSEFSOHX-DLBZAZTESA-N 1 2 407.515 0.862 20 0 HCADLO CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000463602912 1075774985 /nfs/dbraw/zinc/77/49/85/1075774985.db2.gz WMPWLECSEFSOHX-IAGOWNOFSA-N 1 2 407.515 0.862 20 0 HCADLO CC(C)O[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000463602913 1075774889 /nfs/dbraw/zinc/77/48/89/1075774889.db2.gz WMPWLECSEFSOHX-IRXDYDNUSA-N 1 2 407.515 0.862 20 0 HCADLO CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000463602914 1075774871 /nfs/dbraw/zinc/77/48/71/1075774871.db2.gz WMPWLECSEFSOHX-SJORKVTESA-N 1 2 407.515 0.862 20 0 HCADLO O=C(CCNC(=O)c1cn(Cc2ccccn2)nn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000463618854 1075777595 /nfs/dbraw/zinc/77/75/95/1075777595.db2.gz BEHPSVRBUYZWTQ-UHFFFAOYSA-N 1 2 420.477 0.585 20 0 HCADLO CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000463622420 1075779556 /nfs/dbraw/zinc/77/95/56/1075779556.db2.gz WXWUPKUJZOZOJX-CVEARBPZSA-N 1 2 407.515 0.862 20 0 HCADLO CC(C)O[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000463622421 1075779667 /nfs/dbraw/zinc/77/96/67/1075779667.db2.gz WXWUPKUJZOZOJX-HOTGVXAUSA-N 1 2 407.515 0.862 20 0 HCADLO CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000463622422 1075779361 /nfs/dbraw/zinc/77/93/61/1075779361.db2.gz WXWUPKUJZOZOJX-HZPDHXFCSA-N 1 2 407.515 0.862 20 0 HCADLO CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000463622423 1075779584 /nfs/dbraw/zinc/77/95/84/1075779584.db2.gz WXWUPKUJZOZOJX-JKSUJKDBSA-N 1 2 407.515 0.862 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463622559 1075779272 /nfs/dbraw/zinc/77/92/72/1075779272.db2.gz KAGDGVQSXKCEBK-UHFFFAOYSA-N 1 2 410.478 0.570 20 0 HCADLO Cn1cc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(C2CC2)n1 ZINC000463626774 1075780421 /nfs/dbraw/zinc/78/04/21/1075780421.db2.gz AINFTLTULFELPM-UHFFFAOYSA-N 1 2 409.454 0.262 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CC1 ZINC000463627843 1075780778 /nfs/dbraw/zinc/78/07/78/1075780778.db2.gz KSLAUDPMUIYZSS-UHFFFAOYSA-N 1 2 404.515 0.639 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CC1 ZINC000463627843 1075780773 /nfs/dbraw/zinc/78/07/73/1075780773.db2.gz KSLAUDPMUIYZSS-UHFFFAOYSA-N 1 2 404.515 0.639 20 0 HCADLO Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(C2CC2)n1 ZINC000463629148 1075781727 /nfs/dbraw/zinc/78/17/27/1075781727.db2.gz HRBQYXYTKYNCPT-UHFFFAOYSA-N 1 2 402.499 0.393 20 0 HCADLO Cn1cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(C2CC2)n1 ZINC000463629148 1075781724 /nfs/dbraw/zinc/78/17/24/1075781724.db2.gz HRBQYXYTKYNCPT-UHFFFAOYSA-N 1 2 402.499 0.393 20 0 HCADLO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000463632317 1075782905 /nfs/dbraw/zinc/78/29/05/1075782905.db2.gz YCIFKPBEMQIXJL-UHFFFAOYSA-N 1 2 422.489 0.301 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463634567 1075783179 /nfs/dbraw/zinc/78/31/79/1075783179.db2.gz LEMQWDGSDGUMAB-UHFFFAOYSA-N 1 2 424.505 0.449 20 0 HCADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCNc3cccc[nH+]3)c2)nn1 ZINC000463639705 1075785083 /nfs/dbraw/zinc/78/50/83/1075785083.db2.gz RMPMXCHLQPXMQL-UHFFFAOYSA-N 1 2 409.406 0.616 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000463661291 1075789793 /nfs/dbraw/zinc/78/97/93/1075789793.db2.gz AKDPYCPZWGVUIK-UHFFFAOYSA-N 1 2 409.508 0.130 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1 ZINC000463680554 1075793630 /nfs/dbraw/zinc/79/36/30/1075793630.db2.gz FKRHNUJFVPDUKJ-CYBMUJFWSA-N 1 2 401.467 0.916 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1 ZINC000463680556 1075793794 /nfs/dbraw/zinc/79/37/94/1075793794.db2.gz FKRHNUJFVPDUKJ-ZDUSSCGKSA-N 1 2 401.467 0.916 20 0 HCADLO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463713841 1075800665 /nfs/dbraw/zinc/80/06/65/1075800665.db2.gz SPAVTDXZPZBOSN-UHFFFAOYSA-N 1 2 424.505 0.960 20 0 HCADLO COc1ccc(-c2n[nH]cc2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000463727951 1075802400 /nfs/dbraw/zinc/80/24/00/1075802400.db2.gz KLCQDXSTEWOKIZ-INIZCTEOSA-N 1 2 413.478 0.748 20 0 HCADLO COc1ccc(-c2n[nH]cc2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000463727952 1075802375 /nfs/dbraw/zinc/80/23/75/1075802375.db2.gz KLCQDXSTEWOKIZ-MRXNPFEDSA-N 1 2 413.478 0.748 20 0 HCADLO CC(C)(C)C(=O)Nc1nccnc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000463732096 1075802815 /nfs/dbraw/zinc/80/28/15/1075802815.db2.gz WVSWYVNPOGECKF-AWEZNQCLSA-N 1 2 418.498 0.124 20 0 HCADLO CC(C)(C)C(=O)Nc1nccnc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000463732099 1075802779 /nfs/dbraw/zinc/80/27/79/1075802779.db2.gz WVSWYVNPOGECKF-CQSZACIVSA-N 1 2 418.498 0.124 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000463732308 1075803185 /nfs/dbraw/zinc/80/31/85/1075803185.db2.gz JUKLXPVFQXNXQL-HNNXBMFYSA-N 1 2 411.510 0.958 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000463732309 1075803198 /nfs/dbraw/zinc/80/31/98/1075803198.db2.gz JUKLXPVFQXNXQL-OAHLLOKOSA-N 1 2 411.510 0.958 20 0 HCADLO O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000463732488 1075802979 /nfs/dbraw/zinc/80/29/79/1075802979.db2.gz XVZGPRSCHBBUGR-IBGZPJMESA-N 1 2 414.506 0.627 20 0 HCADLO O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000463732489 1075803178 /nfs/dbraw/zinc/80/31/78/1075803178.db2.gz XVZGPRSCHBBUGR-LJQANCHMSA-N 1 2 414.506 0.627 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(Cc2cccs2)nn1 ZINC000463736176 1075803569 /nfs/dbraw/zinc/80/35/69/1075803569.db2.gz VODBFPZTVAMKPZ-AWEZNQCLSA-N 1 2 404.496 0.051 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(Cc2cccs2)nn1 ZINC000463736177 1075803528 /nfs/dbraw/zinc/80/35/28/1075803528.db2.gz VODBFPZTVAMKPZ-CQSZACIVSA-N 1 2 404.496 0.051 20 0 HCADLO CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000463752344 1075805361 /nfs/dbraw/zinc/80/53/61/1075805361.db2.gz YKOAEYVNNDYSLG-UHFFFAOYSA-N 1 2 401.471 1.242 20 0 HCADLO COC(=O)C1(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)CC1 ZINC000463756397 1075804432 /nfs/dbraw/zinc/80/44/32/1075804432.db2.gz YASSNKZRDPDVSG-UHFFFAOYSA-N 1 2 417.506 0.841 20 0 HCADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463765795 1075805785 /nfs/dbraw/zinc/80/57/85/1075805785.db2.gz SGRBVFPMDAVUMO-UHFFFAOYSA-N 1 2 424.505 0.748 20 0 HCADLO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000463773318 1075807334 /nfs/dbraw/zinc/80/73/34/1075807334.db2.gz FYXSAWCUFRDGKD-LJQANCHMSA-N 1 2 423.473 0.632 20 0 HCADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCc3ccn4cc[nH+]c4c3)c2)nn1 ZINC000463778715 1075807972 /nfs/dbraw/zinc/80/79/72/1075807972.db2.gz BMZJNNVMPQPISZ-UHFFFAOYSA-N 1 2 419.401 0.957 20 0 HCADLO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000463779192 1075807764 /nfs/dbraw/zinc/80/77/64/1075807764.db2.gz FYXSAWCUFRDGKD-IBGZPJMESA-N 1 2 423.473 0.632 20 0 HCADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)CCCn3cc[nH+]c3)c2)nn1 ZINC000463782011 1075811599 /nfs/dbraw/zinc/81/15/99/1075811599.db2.gz LIYIDJHHLBJIMM-UHFFFAOYSA-N 1 2 411.422 0.738 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000463783632 1075812016 /nfs/dbraw/zinc/81/20/16/1075812016.db2.gz UBICCGZISRCCPB-APWZRJJASA-N 1 2 424.505 0.863 20 0 HCADLO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000463783633 1075812362 /nfs/dbraw/zinc/81/23/62/1075812362.db2.gz UBICCGZISRCCPB-LPHOPBHVSA-N 1 2 424.505 0.863 20 0 HCADLO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1n1cc[nH+]c1 ZINC000463783634 1075812366 /nfs/dbraw/zinc/81/23/66/1075812366.db2.gz UBICCGZISRCCPB-QFBILLFUSA-N 1 2 424.505 0.863 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1n1cc[nH+]c1 ZINC000463783635 1075812325 /nfs/dbraw/zinc/81/23/25/1075812325.db2.gz UBICCGZISRCCPB-VQIMIIECSA-N 1 2 424.505 0.863 20 0 HCADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463785531 1075813075 /nfs/dbraw/zinc/81/30/75/1075813075.db2.gz ZPVFUWQIKCBORP-UHFFFAOYSA-N 1 2 406.446 0.521 20 0 HCADLO COc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463787294 1075807942 /nfs/dbraw/zinc/80/79/42/1075807942.db2.gz MSZCSPSXHQXPAQ-CYBMUJFWSA-N 1 2 414.528 0.441 20 0 HCADLO COc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463787295 1075807980 /nfs/dbraw/zinc/80/79/80/1075807980.db2.gz MSZCSPSXHQXPAQ-ZDUSSCGKSA-N 1 2 414.528 0.441 20 0 HCADLO O=C1C(=O)N(CCCS(=O)(=O)c2ccccc2)C(=O)N1CCC[NH+]1CCOCC1 ZINC000463788483 1075808194 /nfs/dbraw/zinc/80/81/94/1075808194.db2.gz JQNUPVOZDDBBRE-UHFFFAOYSA-N 1 2 423.491 0.364 20 0 HCADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)c2)nn1 ZINC000463794476 1075810021 /nfs/dbraw/zinc/81/00/21/1075810021.db2.gz ICONPQOOUDIZFC-CYBMUJFWSA-N 1 2 409.406 0.320 20 0 HCADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)c2)nn1 ZINC000463794477 1075809960 /nfs/dbraw/zinc/80/99/60/1075809960.db2.gz ICONPQOOUDIZFC-ZDUSSCGKSA-N 1 2 409.406 0.320 20 0 HCADLO COc1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463800993 1075817485 /nfs/dbraw/zinc/81/74/85/1075817485.db2.gz VJGPFJVTTCWXQS-UHFFFAOYSA-N 1 2 415.512 0.604 20 0 HCADLO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000463801023 1075817522 /nfs/dbraw/zinc/81/75/22/1075817522.db2.gz VQYRJNYJCZGOKS-GOSISDBHSA-N 1 2 422.489 0.347 20 0 HCADLO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000463801028 1075817476 /nfs/dbraw/zinc/81/74/76/1075817476.db2.gz VQYRJNYJCZGOKS-SFHVURJKSA-N 1 2 422.489 0.347 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)[C@H](C)C1 ZINC000463801098 1075817557 /nfs/dbraw/zinc/81/75/57/1075817557.db2.gz DSVNKGKSMVJXCR-CYBMUJFWSA-N 1 2 401.467 0.916 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)[C@H](C)C1 ZINC000463801098 1075817554 /nfs/dbraw/zinc/81/75/54/1075817554.db2.gz DSVNKGKSMVJXCR-CYBMUJFWSA-N 1 2 401.467 0.916 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)[C@@H](C)C1 ZINC000463801099 1075817518 /nfs/dbraw/zinc/81/75/18/1075817518.db2.gz DSVNKGKSMVJXCR-ZDUSSCGKSA-N 1 2 401.467 0.916 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)[C@@H](C)C1 ZINC000463801099 1075817517 /nfs/dbraw/zinc/81/75/17/1075817517.db2.gz DSVNKGKSMVJXCR-ZDUSSCGKSA-N 1 2 401.467 0.916 20 0 HCADLO Cc1nn(C)c2cc(NC(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)ccc12 ZINC000463801409 1075813427 /nfs/dbraw/zinc/81/34/27/1075813427.db2.gz TZABKKATQPFNCI-UHFFFAOYSA-N 1 2 411.466 0.988 20 0 HCADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)c2)nn1 ZINC000463803715 1075813904 /nfs/dbraw/zinc/81/39/04/1075813904.db2.gz XJCRWDCGHJBBAL-CYBMUJFWSA-N 1 2 423.433 0.742 20 0 HCADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)c2)nn1 ZINC000463803716 1075813914 /nfs/dbraw/zinc/81/39/14/1075813914.db2.gz XJCRWDCGHJBBAL-ZDUSSCGKSA-N 1 2 423.433 0.742 20 0 HCADLO COc1cc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000463805412 1075814654 /nfs/dbraw/zinc/81/46/54/1075814654.db2.gz MSYYCMUARLBBKF-CYBMUJFWSA-N 1 2 415.512 0.916 20 0 HCADLO COc1cc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000463805413 1075814709 /nfs/dbraw/zinc/81/47/09/1075814709.db2.gz MSYYCMUARLBBKF-ZDUSSCGKSA-N 1 2 415.512 0.916 20 0 HCADLO COc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463821919 1075819198 /nfs/dbraw/zinc/81/91/98/1075819198.db2.gz UGMVSKLJTUISFA-CYBMUJFWSA-N 1 2 414.528 0.441 20 0 HCADLO COc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463821920 1075819156 /nfs/dbraw/zinc/81/91/56/1075819156.db2.gz UGMVSKLJTUISFA-ZDUSSCGKSA-N 1 2 414.528 0.441 20 0 HCADLO CC(C)OC(=O)C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000463838119 1075823249 /nfs/dbraw/zinc/82/32/49/1075823249.db2.gz WELFLFSPNNWYIC-MSOLQXFVSA-N 1 2 409.527 0.747 20 0 HCADLO CC(C)OC(=O)C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000463838120 1075823205 /nfs/dbraw/zinc/82/32/05/1075823205.db2.gz WELFLFSPNNWYIC-QZTJIDSGSA-N 1 2 409.527 0.747 20 0 HCADLO CC(C)OC(=O)C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000463838121 1075823245 /nfs/dbraw/zinc/82/32/45/1075823245.db2.gz WELFLFSPNNWYIC-ROUUACIJSA-N 1 2 409.527 0.747 20 0 HCADLO CC(C)OC(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000463838122 1075823220 /nfs/dbraw/zinc/82/32/20/1075823220.db2.gz WELFLFSPNNWYIC-ZWKOTPCHSA-N 1 2 409.527 0.747 20 0 HCADLO O=C1[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CCN1c1c(F)cccc1F ZINC000463843838 1075824374 /nfs/dbraw/zinc/82/43/74/1075824374.db2.gz GDPQZZUKROAPNL-HNNXBMFYSA-N 1 2 403.451 0.712 20 0 HCADLO O=C1[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CCN1c1c(F)cccc1F ZINC000463843839 1075824399 /nfs/dbraw/zinc/82/43/99/1075824399.db2.gz GDPQZZUKROAPNL-OAHLLOKOSA-N 1 2 403.451 0.712 20 0 HCADLO CC(C)(C)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000463844136 1075824379 /nfs/dbraw/zinc/82/43/79/1075824379.db2.gz AVJLRZYAHUXLNT-GFCCVEGCSA-N 1 2 413.504 0.584 20 0 HCADLO CC(C)(C)[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000463844138 1075824366 /nfs/dbraw/zinc/82/43/66/1075824366.db2.gz AVJLRZYAHUXLNT-LBPRGKRZSA-N 1 2 413.504 0.584 20 0 HCADLO CN(CCNS(=O)(=O)CCC[NH+]1CCOCC1)S(=O)(=O)c1cccs1 ZINC000463844947 1075824602 /nfs/dbraw/zinc/82/46/02/1075824602.db2.gz FFNMUSXIVDKDMI-UHFFFAOYSA-N 1 2 411.571 0.010 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000463846207 1075821821 /nfs/dbraw/zinc/82/18/21/1075821821.db2.gz KACHVNYZVAFWJG-UHFFFAOYSA-N 1 2 405.542 0.079 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC000463846460 1075821899 /nfs/dbraw/zinc/82/18/99/1075821899.db2.gz PHKJJEFMFVMJNV-DOTOQJQBSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC000463846460 1075821898 /nfs/dbraw/zinc/82/18/98/1075821898.db2.gz PHKJJEFMFVMJNV-DOTOQJQBSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC000463846461 1075821832 /nfs/dbraw/zinc/82/18/32/1075821832.db2.gz PHKJJEFMFVMJNV-NVXWUHKLSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC000463846461 1075821831 /nfs/dbraw/zinc/82/18/31/1075821831.db2.gz PHKJJEFMFVMJNV-NVXWUHKLSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC000463846463 1075822075 /nfs/dbraw/zinc/82/20/75/1075822075.db2.gz PHKJJEFMFVMJNV-RDJZCZTQSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC000463846463 1075822074 /nfs/dbraw/zinc/82/20/74/1075822074.db2.gz PHKJJEFMFVMJNV-RDJZCZTQSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC000463846464 1075822089 /nfs/dbraw/zinc/82/20/89/1075822089.db2.gz PHKJJEFMFVMJNV-WBVHZDCISA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC000463846464 1075822088 /nfs/dbraw/zinc/82/20/88/1075822088.db2.gz PHKJJEFMFVMJNV-WBVHZDCISA-N 1 2 411.510 0.926 20 0 HCADLO COc1cc(C(=O)NCC[NH+]2CCSCC2)cc(NS(C)(=O)=O)c1OC ZINC000463848343 1075822317 /nfs/dbraw/zinc/82/23/17/1075822317.db2.gz JASHABRMXAEYKC-UHFFFAOYSA-N 1 2 403.526 0.854 20 0 HCADLO COCc1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)no1 ZINC000463849845 1075822530 /nfs/dbraw/zinc/82/25/30/1075822530.db2.gz UZKZSFZTBIFAIF-AWEZNQCLSA-N 1 2 402.455 0.846 20 0 HCADLO COCc1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)no1 ZINC000463849845 1075822527 /nfs/dbraw/zinc/82/25/27/1075822527.db2.gz UZKZSFZTBIFAIF-AWEZNQCLSA-N 1 2 402.455 0.846 20 0 HCADLO COCc1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)no1 ZINC000463849846 1075822555 /nfs/dbraw/zinc/82/25/55/1075822555.db2.gz UZKZSFZTBIFAIF-CQSZACIVSA-N 1 2 402.455 0.846 20 0 HCADLO COCc1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)no1 ZINC000463849846 1075822554 /nfs/dbraw/zinc/82/25/54/1075822554.db2.gz UZKZSFZTBIFAIF-CQSZACIVSA-N 1 2 402.455 0.846 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000463852536 1075827546 /nfs/dbraw/zinc/82/75/46/1075827546.db2.gz BXCIPQPETMLVRP-UHFFFAOYSA-N 1 2 417.553 0.368 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000463854046 1075827775 /nfs/dbraw/zinc/82/77/75/1075827775.db2.gz JKGLYTCJOHVDIA-UHFFFAOYSA-N 1 2 417.553 0.368 20 0 HCADLO O=C(CCc1ccccc1)N1CC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463854422 1075827994 /nfs/dbraw/zinc/82/79/94/1075827994.db2.gz LKFSMQDOTQDDPJ-IBGZPJMESA-N 1 2 409.552 0.862 20 0 HCADLO O=C(CCc1ccccc1)N1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463854423 1075828222 /nfs/dbraw/zinc/82/82/22/1075828222.db2.gz LKFSMQDOTQDDPJ-LJQANCHMSA-N 1 2 409.552 0.862 20 0 HCADLO CCOC(=O)c1ccc(N2CC(NS(=O)(=O)CCC[NH+]3CCOCC3)C2)nc1 ZINC000463855022 1075828054 /nfs/dbraw/zinc/82/80/54/1075828054.db2.gz LTYDHOYNOVIYEA-UHFFFAOYSA-N 1 2 412.512 0.089 20 0 HCADLO O=S(=O)(CCCN1CCOCC1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000463857051 1075828716 /nfs/dbraw/zinc/82/87/16/1075828716.db2.gz FEUYKCGWZGXYNZ-UHFFFAOYSA-N 1 2 403.589 0.911 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000463857444 1075829404 /nfs/dbraw/zinc/82/94/04/1075829404.db2.gz QNYLWJUKOATKTA-UHFFFAOYSA-N 1 2 402.492 0.199 20 0 HCADLO Cc1cc(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1Cl ZINC000463858456 1075829927 /nfs/dbraw/zinc/82/99/27/1075829927.db2.gz SYQFPPXBOHBPBB-UHFFFAOYSA-N 1 2 419.913 1.475 20 0 HCADLO CO[C@@](C)(CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000463863761 1075825264 /nfs/dbraw/zinc/82/52/64/1075825264.db2.gz IIKXRTFHQCMLSY-FQEVSTJZSA-N 1 2 403.483 0.339 20 0 HCADLO CO[C@](C)(CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000463863762 1075825242 /nfs/dbraw/zinc/82/52/42/1075825242.db2.gz IIKXRTFHQCMLSY-HXUWFJFHSA-N 1 2 403.483 0.339 20 0 HCADLO CCNS(=O)(=O)c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463867195 1075826421 /nfs/dbraw/zinc/82/64/21/1075826421.db2.gz BESWTXZWLUALFP-UHFFFAOYSA-N 1 2 405.542 0.127 20 0 HCADLO CC(C)C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000463869229 1075834183 /nfs/dbraw/zinc/83/41/83/1075834183.db2.gz ZDBOXOWALDBOTG-CYBMUJFWSA-N 1 2 413.504 0.584 20 0 HCADLO CC(C)C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1nc(-c2nc[nH]n2)no1 ZINC000463869230 1075834208 /nfs/dbraw/zinc/83/42/08/1075834208.db2.gz ZDBOXOWALDBOTG-ZDUSSCGKSA-N 1 2 413.504 0.584 20 0 HCADLO CN1C(=O)C[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000463871511 1075835144 /nfs/dbraw/zinc/83/51/44/1075835144.db2.gz AYSNKIQIIXSCHY-AEFFLSMTSA-N 1 2 417.478 0.878 20 0 HCADLO CN1C(=O)C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000463871512 1075835156 /nfs/dbraw/zinc/83/51/56/1075835156.db2.gz AYSNKIQIIXSCHY-FUHWJXTLSA-N 1 2 417.478 0.878 20 0 HCADLO CN1C(=O)C[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000463871513 1075835132 /nfs/dbraw/zinc/83/51/32/1075835132.db2.gz AYSNKIQIIXSCHY-SJLPKXTDSA-N 1 2 417.478 0.878 20 0 HCADLO CN1C(=O)C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000463871514 1075835119 /nfs/dbraw/zinc/83/51/19/1075835119.db2.gz AYSNKIQIIXSCHY-WMZOPIPTSA-N 1 2 417.478 0.878 20 0 HCADLO COC(=O)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Oc1ccc(F)cc1 ZINC000463872428 1075835566 /nfs/dbraw/zinc/83/55/66/1075835566.db2.gz OUDIMMNWHDAHHK-INIZCTEOSA-N 1 2 404.460 0.388 20 0 HCADLO COC(=O)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Oc1ccc(F)cc1 ZINC000463872429 1075835603 /nfs/dbraw/zinc/83/56/03/1075835603.db2.gz OUDIMMNWHDAHHK-MRXNPFEDSA-N 1 2 404.460 0.388 20 0 HCADLO O=C1C[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1c1c(F)cccc1F ZINC000463875651 1075831675 /nfs/dbraw/zinc/83/16/75/1075831675.db2.gz NHRLLKWLQCQWOF-CYBMUJFWSA-N 1 2 403.451 0.712 20 0 HCADLO O=C1C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CN1c1c(F)cccc1F ZINC000463875964 1075831356 /nfs/dbraw/zinc/83/13/56/1075831356.db2.gz NHRLLKWLQCQWOF-ZDUSSCGKSA-N 1 2 403.451 0.712 20 0 HCADLO CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463877139 1075831855 /nfs/dbraw/zinc/83/18/55/1075831855.db2.gz PKOCOSLKXHOGJE-UHFFFAOYSA-N 1 2 411.590 0.078 20 0 HCADLO COC(=O)c1cn(-c2cccc(NC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c2)nn1 ZINC000463899430 1075836954 /nfs/dbraw/zinc/83/69/54/1075836954.db2.gz WNTVOZKPAFDCOB-INIZCTEOSA-N 1 2 418.454 0.211 20 0 HCADLO COC(=O)c1cn(-c2cccc(NC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c2)nn1 ZINC000463899431 1075836923 /nfs/dbraw/zinc/83/69/23/1075836923.db2.gz WNTVOZKPAFDCOB-MRXNPFEDSA-N 1 2 418.454 0.211 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC000463916282 1075838985 /nfs/dbraw/zinc/83/89/85/1075838985.db2.gz RNJGCHWSKJEKHS-INIZCTEOSA-N 1 2 419.482 0.678 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC000463916283 1075838916 /nfs/dbraw/zinc/83/89/16/1075838916.db2.gz RNJGCHWSKJEKHS-MRXNPFEDSA-N 1 2 419.482 0.678 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Nc3cn(C)nn3)cc2)CC1 ZINC000463933726 1075841035 /nfs/dbraw/zinc/84/10/35/1075841035.db2.gz WTHUOJRKKNHOOC-UHFFFAOYSA-N 1 2 415.498 0.722 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)CC1 ZINC000463980264 1075848513 /nfs/dbraw/zinc/84/85/13/1075848513.db2.gz JUVIQEFMTNPTNY-GOSISDBHSA-N 1 2 402.495 0.661 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](O)C2(C)C)CC1 ZINC000463980265 1075848452 /nfs/dbraw/zinc/84/84/52/1075848452.db2.gz JUVIQEFMTNPTNY-SFHVURJKSA-N 1 2 402.495 0.661 20 0 HCADLO CCN(C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)[C@@H]1CCOC1 ZINC000463984442 1075845081 /nfs/dbraw/zinc/84/50/81/1075845081.db2.gz WKKFBHIHABJSRF-GOSISDBHSA-N 1 2 402.495 0.927 20 0 HCADLO CCN(C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)[C@H]1CCOC1 ZINC000463984443 1075845013 /nfs/dbraw/zinc/84/50/13/1075845013.db2.gz WKKFBHIHABJSRF-SFHVURJKSA-N 1 2 402.495 0.927 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](n4cccn4)C3)c2)CC1 ZINC000463987412 1075845466 /nfs/dbraw/zinc/84/54/66/1075845466.db2.gz OHLZMNBMZYBRKX-FQEVSTJZSA-N 1 2 424.505 0.959 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](n4cccn4)C3)c2)CC1 ZINC000463987413 1075845404 /nfs/dbraw/zinc/84/54/04/1075845404.db2.gz OHLZMNBMZYBRKX-HXUWFJFHSA-N 1 2 424.505 0.959 20 0 HCADLO CCN(C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)[C@H]1CCOC1 ZINC000463987547 1075845647 /nfs/dbraw/zinc/84/56/47/1075845647.db2.gz HMHUQLONRCBKCT-IBGZPJMESA-N 1 2 402.495 0.927 20 0 HCADLO CCN(C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)[C@@H]1CCOC1 ZINC000463987548 1075845620 /nfs/dbraw/zinc/84/56/20/1075845620.db2.gz HMHUQLONRCBKCT-LJQANCHMSA-N 1 2 402.495 0.927 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](O)C3(C)C)cc2)CC1 ZINC000463989087 1075845886 /nfs/dbraw/zinc/84/58/86/1075845886.db2.gz HOVFMTZCMPKTFL-GOSISDBHSA-N 1 2 402.495 0.661 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](O)C3(C)C)cc2)CC1 ZINC000463989088 1075845810 /nfs/dbraw/zinc/84/58/10/1075845810.db2.gz HOVFMTZCMPKTFL-SFHVURJKSA-N 1 2 402.495 0.661 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](O)C3(C)C)c2)CC1 ZINC000463991323 1075846045 /nfs/dbraw/zinc/84/60/45/1075846045.db2.gz CQJDUIHZUVROIF-GOSISDBHSA-N 1 2 402.495 0.661 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](O)C3(C)C)c2)CC1 ZINC000463991324 1075846039 /nfs/dbraw/zinc/84/60/39/1075846039.db2.gz CQJDUIHZUVROIF-SFHVURJKSA-N 1 2 402.495 0.661 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000463992174 1075846290 /nfs/dbraw/zinc/84/62/90/1075846290.db2.gz FBWCUXUWFABCTG-FQEVSTJZSA-N 1 2 424.505 0.959 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](n4cccn4)C3)cc2)CC1 ZINC000463992175 1075846226 /nfs/dbraw/zinc/84/62/26/1075846226.db2.gz FBWCUXUWFABCTG-HXUWFJFHSA-N 1 2 424.505 0.959 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H](n4cccn4)C3)ccn2)CC1 ZINC000463994040 1075846776 /nfs/dbraw/zinc/84/67/76/1075846776.db2.gz IUICLJHAFNURFO-INIZCTEOSA-N 1 2 411.466 0.078 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H](n4cccn4)C3)ccn2)CC1 ZINC000463994041 1075846809 /nfs/dbraw/zinc/84/68/09/1075846809.db2.gz IUICLJHAFNURFO-MRXNPFEDSA-N 1 2 411.466 0.078 20 0 HCADLO CCN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)[C@H]1CCOC1 ZINC000463994434 1075847044 /nfs/dbraw/zinc/84/70/44/1075847044.db2.gz RQASAHITQHGBDV-IBGZPJMESA-N 1 2 402.495 0.927 20 0 HCADLO CCN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)[C@@H]1CCOC1 ZINC000463994435 1075847019 /nfs/dbraw/zinc/84/70/19/1075847019.db2.gz RQASAHITQHGBDV-LJQANCHMSA-N 1 2 402.495 0.927 20 0 HCADLO CCN(C[C@H](C)OC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000464002023 1075851248 /nfs/dbraw/zinc/85/12/48/1075851248.db2.gz VCQOMEMUBNTEFI-INIZCTEOSA-N 1 2 413.544 0.600 20 0 HCADLO CCN(C[C@@H](C)OC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000464002025 1075851199 /nfs/dbraw/zinc/85/11/99/1075851199.db2.gz VCQOMEMUBNTEFI-MRXNPFEDSA-N 1 2 413.544 0.600 20 0 HCADLO CCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000464003906 1075851760 /nfs/dbraw/zinc/85/17/60/1075851760.db2.gz YFCRXIZERMQSLG-INIZCTEOSA-N 1 2 411.528 0.354 20 0 HCADLO CCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000464003907 1075851923 /nfs/dbraw/zinc/85/19/23/1075851923.db2.gz YFCRXIZERMQSLG-MRXNPFEDSA-N 1 2 411.528 0.354 20 0 HCADLO COCC[C@H]1COCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000464006853 1075849092 /nfs/dbraw/zinc/84/90/92/1075849092.db2.gz SPJHLBOFJAGDIE-IBGZPJMESA-N 1 2 404.511 0.636 20 0 HCADLO COCC[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000464006861 1075849099 /nfs/dbraw/zinc/84/90/99/1075849099.db2.gz SPJHLBOFJAGDIE-LJQANCHMSA-N 1 2 404.511 0.636 20 0 HCADLO CCO[C@H](C)c1noc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000464047728 1075854674 /nfs/dbraw/zinc/85/46/74/1075854674.db2.gz YGXBKFJCOZFXSF-CABCVRRESA-N 1 2 409.487 0.306 20 0 HCADLO CCO[C@@H](C)c1noc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000464047729 1075854722 /nfs/dbraw/zinc/85/47/22/1075854722.db2.gz YGXBKFJCOZFXSF-GJZGRUSLSA-N 1 2 409.487 0.306 20 0 HCADLO CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000464047730 1075854728 /nfs/dbraw/zinc/85/47/28/1075854728.db2.gz YGXBKFJCOZFXSF-HUUCEWRRSA-N 1 2 409.487 0.306 20 0 HCADLO CCO[C@@H](C)c1noc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000464047731 1075854665 /nfs/dbraw/zinc/85/46/65/1075854665.db2.gz YGXBKFJCOZFXSF-LSDHHAIUSA-N 1 2 409.487 0.306 20 0 HCADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)[C@@H]1c1c[nH+]cn1C ZINC000464054129 1075860003 /nfs/dbraw/zinc/86/00/03/1075860003.db2.gz UJMVXTGTYXQSDY-MLGOLLRUSA-N 1 2 402.455 0.146 20 0 HCADLO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000464082053 1075861890 /nfs/dbraw/zinc/86/18/90/1075861890.db2.gz LXOQWQUHPYVPRR-CYBMUJFWSA-N 1 2 415.512 0.773 20 0 HCADLO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000464082054 1075861909 /nfs/dbraw/zinc/86/19/09/1075861909.db2.gz LXOQWQUHPYVPRR-ZDUSSCGKSA-N 1 2 415.512 0.773 20 0 HCADLO Cn1nc2c(c1CNC(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)CCCC2 ZINC000464113303 1075866962 /nfs/dbraw/zinc/86/69/62/1075866962.db2.gz IDSAMKXGDINEQJ-UHFFFAOYSA-N 1 2 415.498 0.083 20 0 HCADLO NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)Nc3cccc(C[N@H+]4CC[C@H](O)C4)c3)cc21 ZINC000464114205 1075867205 /nfs/dbraw/zinc/86/72/05/1075867205.db2.gz BYMVKAMOESIDHI-HNNXBMFYSA-N 1 2 422.445 0.806 20 0 HCADLO NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)Nc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)cc21 ZINC000464114205 1075867202 /nfs/dbraw/zinc/86/72/02/1075867202.db2.gz BYMVKAMOESIDHI-HNNXBMFYSA-N 1 2 422.445 0.806 20 0 HCADLO NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)Nc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)cc21 ZINC000464114206 1075867148 /nfs/dbraw/zinc/86/71/48/1075867148.db2.gz BYMVKAMOESIDHI-OAHLLOKOSA-N 1 2 422.445 0.806 20 0 HCADLO NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)Nc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)cc21 ZINC000464114206 1075867145 /nfs/dbraw/zinc/86/71/45/1075867145.db2.gz BYMVKAMOESIDHI-OAHLLOKOSA-N 1 2 422.445 0.806 20 0 HCADLO COc1ccc(O[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000464156728 1075870837 /nfs/dbraw/zinc/87/08/37/1075870837.db2.gz BZFNTDZLOGSPAL-DLBZAZTESA-N 1 2 405.495 0.759 20 0 HCADLO COc1ccc(O[C@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000464156730 1075870900 /nfs/dbraw/zinc/87/09/00/1075870900.db2.gz BZFNTDZLOGSPAL-IAGOWNOFSA-N 1 2 405.495 0.759 20 0 HCADLO COc1ccc(O[C@@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000464156732 1075870845 /nfs/dbraw/zinc/87/08/45/1075870845.db2.gz BZFNTDZLOGSPAL-IRXDYDNUSA-N 1 2 405.495 0.759 20 0 HCADLO COc1ccc(O[C@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000464156734 1075870700 /nfs/dbraw/zinc/87/07/00/1075870700.db2.gz BZFNTDZLOGSPAL-SJORKVTESA-N 1 2 405.495 0.759 20 0 HCADLO O=C(Nc1cccc(N2CCCNC2=O)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000464191326 1075876149 /nfs/dbraw/zinc/87/61/49/1075876149.db2.gz YMRNTFUIGXMYGN-INIZCTEOSA-N 1 2 415.494 0.726 20 0 HCADLO O=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000464191327 1075876214 /nfs/dbraw/zinc/87/62/14/1075876214.db2.gz YMRNTFUIGXMYGN-MRXNPFEDSA-N 1 2 415.494 0.726 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N(C)C[C@@H](C)O)cc2)CC1 ZINC000464217071 1075880444 /nfs/dbraw/zinc/88/04/44/1075880444.db2.gz SHUUCTSCRZRWCV-QGZVFWFLSA-N 1 2 406.527 0.794 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N(C)C[C@H](C)O)cc2)CC1 ZINC000464219872 1075880817 /nfs/dbraw/zinc/88/08/17/1075880817.db2.gz SHUUCTSCRZRWCV-KRWDZBQOSA-N 1 2 406.527 0.794 20 0 HCADLO CCC1(CC)CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCS1(=O)=O ZINC000464222498 1075881226 /nfs/dbraw/zinc/88/12/26/1075881226.db2.gz TVHILJJWSGBLIP-INIZCTEOSA-N 1 2 416.588 0.928 20 0 HCADLO CCC1(CC)CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCS1(=O)=O ZINC000464222498 1075881224 /nfs/dbraw/zinc/88/12/24/1075881224.db2.gz TVHILJJWSGBLIP-INIZCTEOSA-N 1 2 416.588 0.928 20 0 HCADLO CCC1(CC)CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1(=O)=O ZINC000464222499 1075881267 /nfs/dbraw/zinc/88/12/67/1075881267.db2.gz TVHILJJWSGBLIP-MRXNPFEDSA-N 1 2 416.588 0.928 20 0 HCADLO CCC1(CC)CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1(=O)=O ZINC000464222499 1075881266 /nfs/dbraw/zinc/88/12/66/1075881266.db2.gz TVHILJJWSGBLIP-MRXNPFEDSA-N 1 2 416.588 0.928 20 0 HCADLO C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)S1(=O)=O ZINC000464232746 1075879981 /nfs/dbraw/zinc/87/99/81/1075879981.db2.gz GYJSWWNOFDGPGX-HOTGVXAUSA-N 1 2 423.539 0.337 20 0 HCADLO COCC[C@H]1COCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000464233732 1075880188 /nfs/dbraw/zinc/88/01/88/1075880188.db2.gz ISOANSFGCWJNRK-KRWDZBQOSA-N 1 2 405.499 0.567 20 0 HCADLO COCC[C@@H]1COCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000464233736 1075880192 /nfs/dbraw/zinc/88/01/92/1075880192.db2.gz ISOANSFGCWJNRK-QGZVFWFLSA-N 1 2 405.499 0.567 20 0 HCADLO CC1(C)CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1(=O)=O ZINC000464236346 1075882007 /nfs/dbraw/zinc/88/20/07/1075882007.db2.gz OIDNEGMECOZDFN-UHFFFAOYSA-N 1 2 423.539 0.339 20 0 HCADLO O=C(CCNC(=O)N1CCC(F)(F)[C@H](CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000464238823 1075882571 /nfs/dbraw/zinc/88/25/71/1075882571.db2.gz YHOYESWKGBVZST-HNNXBMFYSA-N 1 2 411.453 0.779 20 0 HCADLO O=C(CCNC(=O)N1CCC(F)(F)[C@@H](CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000464238824 1075882592 /nfs/dbraw/zinc/88/25/92/1075882592.db2.gz YHOYESWKGBVZST-OAHLLOKOSA-N 1 2 411.453 0.779 20 0 HCADLO C[C@@H](c1nccs1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000464284566 1075885985 /nfs/dbraw/zinc/88/59/85/1075885985.db2.gz SKEFXJFSHAKYLF-DLBZAZTESA-N 1 2 421.567 0.529 20 0 HCADLO C[C@H](c1nccs1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000464284567 1075885943 /nfs/dbraw/zinc/88/59/43/1075885943.db2.gz SKEFXJFSHAKYLF-IAGOWNOFSA-N 1 2 421.567 0.529 20 0 HCADLO C[C@@H](c1nccs1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000464284568 1075885994 /nfs/dbraw/zinc/88/59/94/1075885994.db2.gz SKEFXJFSHAKYLF-IRXDYDNUSA-N 1 2 421.567 0.529 20 0 HCADLO C[C@H](c1nccs1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000464284569 1075885970 /nfs/dbraw/zinc/88/59/70/1075885970.db2.gz SKEFXJFSHAKYLF-SJORKVTESA-N 1 2 421.567 0.529 20 0 HCADLO COc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc(OC)c1OCC(N)=O ZINC000464293705 1075888113 /nfs/dbraw/zinc/88/81/13/1075888113.db2.gz JADPXGAGQCDXFF-HNNXBMFYSA-N 1 2 407.467 0.505 20 0 HCADLO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc(OC)c1OCC(N)=O ZINC000464293706 1075888109 /nfs/dbraw/zinc/88/81/09/1075888109.db2.gz JADPXGAGQCDXFF-OAHLLOKOSA-N 1 2 407.467 0.505 20 0 HCADLO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464297944 1075888301 /nfs/dbraw/zinc/88/83/01/1075888301.db2.gz BAFZFUFSARKCAO-INIZCTEOSA-N 1 2 414.510 0.701 20 0 HCADLO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464297946 1075888342 /nfs/dbraw/zinc/88/83/42/1075888342.db2.gz BAFZFUFSARKCAO-MRXNPFEDSA-N 1 2 414.510 0.701 20 0 HCADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464298397 1075888520 /nfs/dbraw/zinc/88/85/20/1075888520.db2.gz BXQAQWIGRBZODM-IBGZPJMESA-N 1 2 412.490 0.382 20 0 HCADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464298402 1075888508 /nfs/dbraw/zinc/88/85/08/1075888508.db2.gz BXQAQWIGRBZODM-LJQANCHMSA-N 1 2 412.490 0.382 20 0 HCADLO COc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000464298419 1075888494 /nfs/dbraw/zinc/88/84/94/1075888494.db2.gz VJWUQPLJWYPUNL-INIZCTEOSA-N 1 2 411.524 0.882 20 0 HCADLO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000464298421 1075888497 /nfs/dbraw/zinc/88/84/97/1075888497.db2.gz VJWUQPLJWYPUNL-MRXNPFEDSA-N 1 2 411.524 0.882 20 0 HCADLO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464303558 1075888706 /nfs/dbraw/zinc/88/87/06/1075888706.db2.gz MNEJDRHGXYKFOX-AWEZNQCLSA-N 1 2 417.478 0.956 20 0 HCADLO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464303559 1075888683 /nfs/dbraw/zinc/88/86/83/1075888683.db2.gz MNEJDRHGXYKFOX-CQSZACIVSA-N 1 2 417.478 0.956 20 0 HCADLO O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464304073 1075888891 /nfs/dbraw/zinc/88/88/91/1075888891.db2.gz NWFUTCHQGUKXDB-GOSISDBHSA-N 1 2 423.535 0.644 20 0 HCADLO O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464304074 1075888897 /nfs/dbraw/zinc/88/88/97/1075888897.db2.gz NWFUTCHQGUKXDB-SFHVURJKSA-N 1 2 423.535 0.644 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000464305258 1075888866 /nfs/dbraw/zinc/88/88/66/1075888866.db2.gz CLGYBQAKFNDDQR-HOTGVXAUSA-N 1 2 411.524 0.685 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000464305260 1075888870 /nfs/dbraw/zinc/88/88/70/1075888870.db2.gz CLGYBQAKFNDDQR-JKSUJKDBSA-N 1 2 411.524 0.685 20 0 HCADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464306678 1075888884 /nfs/dbraw/zinc/88/88/84/1075888884.db2.gz FFGZGZUQFIVFGK-LLVKDONJSA-N 1 2 401.261 0.035 20 0 HCADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464306679 1075888948 /nfs/dbraw/zinc/88/89/48/1075888948.db2.gz FFGZGZUQFIVFGK-NSHDSACASA-N 1 2 401.261 0.035 20 0 HCADLO COCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000464309978 1075889235 /nfs/dbraw/zinc/88/92/35/1075889235.db2.gz JMNUTJJSHRADQM-KRWDZBQOSA-N 1 2 411.524 0.548 20 0 HCADLO COCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000464309979 1075889325 /nfs/dbraw/zinc/88/93/25/1075889325.db2.gz JMNUTJJSHRADQM-QGZVFWFLSA-N 1 2 411.524 0.548 20 0 HCADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464310327 1075889334 /nfs/dbraw/zinc/88/93/34/1075889334.db2.gz AHRKSWGGUJKZBL-GDBMZVCRSA-N 1 2 413.544 0.027 20 0 HCADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464310328 1075889263 /nfs/dbraw/zinc/88/92/63/1075889263.db2.gz AHRKSWGGUJKZBL-GOEBONIOSA-N 1 2 413.544 0.027 20 0 HCADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464310329 1075889307 /nfs/dbraw/zinc/88/93/07/1075889307.db2.gz AHRKSWGGUJKZBL-HOCLYGCPSA-N 1 2 413.544 0.027 20 0 HCADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464310330 1075889295 /nfs/dbraw/zinc/88/92/95/1075889295.db2.gz AHRKSWGGUJKZBL-ZBFHGGJFSA-N 1 2 413.544 0.027 20 0 HCADLO O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464313854 1075889435 /nfs/dbraw/zinc/88/94/35/1075889435.db2.gz AQADEVTZMSXJHV-KRWDZBQOSA-N 1 2 410.474 0.947 20 0 HCADLO O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464313855 1075889455 /nfs/dbraw/zinc/88/94/55/1075889455.db2.gz AQADEVTZMSXJHV-QGZVFWFLSA-N 1 2 410.474 0.947 20 0 HCADLO O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464314406 1075889452 /nfs/dbraw/zinc/88/94/52/1075889452.db2.gz BSFJJUQMGJMEOT-GOSISDBHSA-N 1 2 422.551 0.806 20 0 HCADLO O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464314407 1075889439 /nfs/dbraw/zinc/88/94/39/1075889439.db2.gz BSFJJUQMGJMEOT-SFHVURJKSA-N 1 2 422.551 0.806 20 0 HCADLO C[C@H](C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000465391490 1077322994 /nfs/dbraw/zinc/32/29/94/1077322994.db2.gz IENWCYBFQDCAHT-LRAJWGHMSA-N 1 2 417.485 0.831 20 0 HCADLO C[C@H](C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000465391491 1077323081 /nfs/dbraw/zinc/32/30/81/1077323081.db2.gz IENWCYBFQDCAHT-PZPWOCDFSA-N 1 2 417.485 0.831 20 0 HCADLO C[C@H](C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000465391492 1077323356 /nfs/dbraw/zinc/32/33/56/1077323356.db2.gz IENWCYBFQDCAHT-VTJXTGGHSA-N 1 2 417.485 0.831 20 0 HCADLO C[C@H](C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000465391493 1077323559 /nfs/dbraw/zinc/32/35/59/1077323559.db2.gz IENWCYBFQDCAHT-WIEQDCTASA-N 1 2 417.485 0.831 20 0 HCADLO COC(=O)[C@@H](C)CS(=O)(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000465396011 1077367208 /nfs/dbraw/zinc/36/72/08/1077367208.db2.gz CIQLUQQCSFGBOL-HNNXBMFYSA-N 1 2 400.497 0.626 20 0 HCADLO COC(=O)[C@H](C)CS(=O)(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000465396012 1077367122 /nfs/dbraw/zinc/36/71/22/1077367122.db2.gz CIQLUQQCSFGBOL-OAHLLOKOSA-N 1 2 400.497 0.626 20 0 HCADLO COc1ccccc1N1CC[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000465405059 1077454081 /nfs/dbraw/zinc/45/40/81/1077454081.db2.gz KLCQJJGGDFNMQJ-CVEARBPZSA-N 1 2 406.483 0.135 20 0 HCADLO COc1ccccc1N1CC[C@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000465405060 1077453799 /nfs/dbraw/zinc/45/37/99/1077453799.db2.gz KLCQJJGGDFNMQJ-HOTGVXAUSA-N 1 2 406.483 0.135 20 0 HCADLO COc1ccccc1N1CC[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000465405061 1077454340 /nfs/dbraw/zinc/45/43/40/1077454340.db2.gz KLCQJJGGDFNMQJ-HZPDHXFCSA-N 1 2 406.483 0.135 20 0 HCADLO COc1ccccc1N1CC[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000465405062 1077454512 /nfs/dbraw/zinc/45/45/12/1077454512.db2.gz KLCQJJGGDFNMQJ-JKSUJKDBSA-N 1 2 406.483 0.135 20 0 HCADLO COC(=O)[C@@H](C)CS(=O)(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000465408065 1077507816 /nfs/dbraw/zinc/50/78/16/1077507816.db2.gz TYFFGJNTHDIEGZ-HNNXBMFYSA-N 1 2 400.497 0.626 20 0 HCADLO COC(=O)[C@H](C)CS(=O)(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000465408066 1077507948 /nfs/dbraw/zinc/50/79/48/1077507948.db2.gz TYFFGJNTHDIEGZ-OAHLLOKOSA-N 1 2 400.497 0.626 20 0 HCADLO COC(=O)[C@H](C)CS(=O)(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000465410663 1077519666 /nfs/dbraw/zinc/51/96/66/1077519666.db2.gz YBCDBAWEGVCWPD-CYBMUJFWSA-N 1 2 400.497 0.790 20 0 HCADLO COC(=O)[C@H](C)CS(=O)(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000465410663 1077519651 /nfs/dbraw/zinc/51/96/51/1077519651.db2.gz YBCDBAWEGVCWPD-CYBMUJFWSA-N 1 2 400.497 0.790 20 0 HCADLO COC(=O)[C@@H](C)CS(=O)(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000465410664 1077519598 /nfs/dbraw/zinc/51/95/98/1077519598.db2.gz YBCDBAWEGVCWPD-ZDUSSCGKSA-N 1 2 400.497 0.790 20 0 HCADLO COC(=O)[C@@H](C)CS(=O)(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000465410664 1077519591 /nfs/dbraw/zinc/51/95/91/1077519591.db2.gz YBCDBAWEGVCWPD-ZDUSSCGKSA-N 1 2 400.497 0.790 20 0 HCADLO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000465424217 1077606024 /nfs/dbraw/zinc/60/60/24/1077606024.db2.gz TUDDHHUYWRTKMQ-BBRMVZONSA-N 1 2 405.480 0.645 20 0 HCADLO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000465424218 1077606182 /nfs/dbraw/zinc/60/61/82/1077606182.db2.gz TUDDHHUYWRTKMQ-CJNGLKHVSA-N 1 2 405.480 0.645 20 0 HCADLO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000465424220 1077606144 /nfs/dbraw/zinc/60/61/44/1077606144.db2.gz TUDDHHUYWRTKMQ-CZUORRHYSA-N 1 2 405.480 0.645 20 0 HCADLO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000465424222 1077606007 /nfs/dbraw/zinc/60/60/07/1077606007.db2.gz TUDDHHUYWRTKMQ-XJKSGUPXSA-N 1 2 405.480 0.645 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCS(=O)(=O)C(C)(C)C3)c2)CC1 ZINC000465428266 1077626175 /nfs/dbraw/zinc/62/61/75/1077626175.db2.gz ZQAIOWMLWIASAJ-UHFFFAOYSA-N 1 2 422.551 0.408 20 0 HCADLO NS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000465479090 1077795390 /nfs/dbraw/zinc/79/53/90/1077795390.db2.gz PGJUIKIRLHSZHK-CYBMUJFWSA-N 1 2 402.542 0.792 20 0 HCADLO NS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000465479092 1077795111 /nfs/dbraw/zinc/79/51/11/1077795111.db2.gz PGJUIKIRLHSZHK-ZDUSSCGKSA-N 1 2 402.542 0.792 20 0 HCADLO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000465479774 1077791534 /nfs/dbraw/zinc/79/15/34/1077791534.db2.gz QXCPQGODIUGTMO-INIZCTEOSA-N 1 2 407.515 0.747 20 0 HCADLO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465479775 1077791345 /nfs/dbraw/zinc/79/13/45/1077791345.db2.gz QXCPQGODIUGTMO-MRXNPFEDSA-N 1 2 407.515 0.747 20 0 HCADLO CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000465495835 1077858893 /nfs/dbraw/zinc/85/88/93/1077858893.db2.gz ROLHEGZQOVXYKI-CYBMUJFWSA-N 1 2 402.542 0.662 20 0 HCADLO CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000465495836 1077858873 /nfs/dbraw/zinc/85/88/73/1077858873.db2.gz ROLHEGZQOVXYKI-ZDUSSCGKSA-N 1 2 402.542 0.662 20 0 HCADLO Cn1nc2c(cc1=O)CN(C(=O)NC1CC[NH+](CC(=O)Nc3ccccc3)CC1)CC2 ZINC000465505953 1077909485 /nfs/dbraw/zinc/90/94/85/1077909485.db2.gz YSLPOYZKCNJXSK-UHFFFAOYSA-N 1 2 424.505 0.951 20 0 HCADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000465508336 1077929427 /nfs/dbraw/zinc/92/94/27/1077929427.db2.gz LDDZRVWMDCTMIB-KRWDZBQOSA-N 1 2 410.540 0.943 20 0 HCADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465508337 1077929775 /nfs/dbraw/zinc/92/97/75/1077929775.db2.gz LDDZRVWMDCTMIB-QGZVFWFLSA-N 1 2 410.540 0.943 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000465515346 1078032767 /nfs/dbraw/zinc/03/27/67/1078032767.db2.gz KDFSDHZOIGTQIG-UHFFFAOYSA-N 1 2 414.510 0.521 20 0 HCADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000465540820 1078172404 /nfs/dbraw/zinc/17/24/04/1078172404.db2.gz BWPMRWNBGZJSNS-HNNXBMFYSA-N 1 2 421.527 0.327 20 0 HCADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000465540821 1078173071 /nfs/dbraw/zinc/17/30/71/1078173071.db2.gz BWPMRWNBGZJSNS-OAHLLOKOSA-N 1 2 421.527 0.327 20 0 HCADLO CC[C@H](O)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465540849 1078174100 /nfs/dbraw/zinc/17/41/00/1078174100.db2.gz CBQAKQVLHLSQOI-INIZCTEOSA-N 1 2 413.544 0.384 20 0 HCADLO CC[C@@H](O)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465540850 1078174068 /nfs/dbraw/zinc/17/40/68/1078174068.db2.gz CBQAKQVLHLSQOI-MRXNPFEDSA-N 1 2 413.544 0.384 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000465543699 1078208756 /nfs/dbraw/zinc/20/87/56/1078208756.db2.gz NQZXPSWFYXOHLX-IYBDPMFKSA-N 1 2 409.512 0.106 20 0 HCADLO CC(C)[C@@H](O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465544161 1078224729 /nfs/dbraw/zinc/22/47/29/1078224729.db2.gz OVPGNQXIABIVSR-INIZCTEOSA-N 1 2 413.544 0.240 20 0 HCADLO CC(C)[C@H](O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465544175 1078217624 /nfs/dbraw/zinc/21/76/24/1078217624.db2.gz OVPGNQXIABIVSR-MRXNPFEDSA-N 1 2 413.544 0.240 20 0 HCADLO CO[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000465544441 1078221117 /nfs/dbraw/zinc/22/11/17/1078221117.db2.gz OSLNQFGLLCSARU-INIZCTEOSA-N 1 2 413.544 0.504 20 0 HCADLO CO[C@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000465544442 1078220944 /nfs/dbraw/zinc/22/09/44/1078220944.db2.gz OSLNQFGLLCSARU-MRXNPFEDSA-N 1 2 413.544 0.504 20 0 HCADLO CC(C)[C@H](CCO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465546006 1078324488 /nfs/dbraw/zinc/32/44/88/1078324488.db2.gz KRCOUSBPEOAAPV-INIZCTEOSA-N 1 2 413.544 0.240 20 0 HCADLO CC(C)[C@@H](CCO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465546007 1078324434 /nfs/dbraw/zinc/32/44/34/1078324434.db2.gz KRCOUSBPEOAAPV-MRXNPFEDSA-N 1 2 413.544 0.240 20 0 HCADLO CC(C)(CCO)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465546815 1078281574 /nfs/dbraw/zinc/28/15/74/1078281574.db2.gz LJGIJPZZQZUKCG-UHFFFAOYSA-N 1 2 413.544 0.241 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)NC(CO)CO ZINC000465550056 1078813632 /nfs/dbraw/zinc/81/36/32/1078813632.db2.gz WFOKFZIYJCJCBP-UHFFFAOYSA-N 1 2 403.458 0.700 20 0 HCADLO O=C(NCCC(F)(F)F)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465552546 1078898345 /nfs/dbraw/zinc/89/83/45/1078898345.db2.gz YRKUOINFBKQWEB-UHFFFAOYSA-N 1 2 409.434 0.785 20 0 HCADLO Cn1cccc1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465552780 1078921798 /nfs/dbraw/zinc/92/17/98/1078921798.db2.gz UQJGVJUNDQKXJQ-UHFFFAOYSA-N 1 2 406.512 0.371 20 0 HCADLO CC1(C)[C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000465553164 1079032895 /nfs/dbraw/zinc/03/28/95/1079032895.db2.gz ZXOGHTSQVQBJGM-IYBDPMFKSA-N 1 2 407.540 0.831 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000465561721 1078821280 /nfs/dbraw/zinc/82/12/80/1078821280.db2.gz BRKOMPRGOGXIDC-UHFFFAOYSA-N 1 2 404.515 0.272 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000465565201 1079027686 /nfs/dbraw/zinc/02/76/86/1079027686.db2.gz ABKZVKJWVSIWAC-KRWDZBQOSA-N 1 2 410.540 0.780 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000465565202 1079027759 /nfs/dbraw/zinc/02/77/59/1079027759.db2.gz ABKZVKJWVSIWAC-QGZVFWFLSA-N 1 2 410.540 0.780 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000465579261 1079255956 /nfs/dbraw/zinc/25/59/56/1079255956.db2.gz VKLCLYAOJHZHSL-UHFFFAOYSA-N 1 2 418.542 0.662 20 0 HCADLO CCCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000465583282 1079366445 /nfs/dbraw/zinc/36/64/45/1079366445.db2.gz USBOTZKXCJHVGQ-QGZVFWFLSA-N 1 2 402.561 0.697 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000465592614 1079458132 /nfs/dbraw/zinc/45/81/32/1079458132.db2.gz FMXVALBQDJSQHR-CVEARBPZSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000465592615 1079458083 /nfs/dbraw/zinc/45/80/83/1079458083.db2.gz FMXVALBQDJSQHR-HOTGVXAUSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000465592616 1079458721 /nfs/dbraw/zinc/45/87/21/1079458721.db2.gz FMXVALBQDJSQHR-HZPDHXFCSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000465592617 1079458604 /nfs/dbraw/zinc/45/86/04/1079458604.db2.gz FMXVALBQDJSQHR-JKSUJKDBSA-N 1 2 410.519 0.715 20 0 HCADLO CCOC(=O)c1cnc(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)s1 ZINC000465607943 1079563054 /nfs/dbraw/zinc/56/30/54/1079563054.db2.gz SJDOEJYBDQPDCE-AWEZNQCLSA-N 1 2 411.528 0.872 20 0 HCADLO CCOC(=O)c1cnc(N2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)s1 ZINC000465607945 1079563183 /nfs/dbraw/zinc/56/31/83/1079563183.db2.gz SJDOEJYBDQPDCE-CQSZACIVSA-N 1 2 411.528 0.872 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000465629318 1080225213 /nfs/dbraw/zinc/22/52/13/1080225213.db2.gz PAGNLTWYUTXEPM-UHFFFAOYSA-N 1 2 414.510 0.521 20 0 HCADLO O=C(NCCN1CCN(c2ncccn2)CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000465632606 1080228495 /nfs/dbraw/zinc/22/84/95/1080228495.db2.gz GKIODPLGKQPEQU-IBGZPJMESA-N 1 2 417.558 0.495 20 0 HCADLO O=C(NCCN1CCN(c2ncccn2)CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465632608 1080228542 /nfs/dbraw/zinc/22/85/42/1080228542.db2.gz GKIODPLGKQPEQU-LJQANCHMSA-N 1 2 417.558 0.495 20 0 HCADLO CCO[C@@H](C)c1noc(CN(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000465635112 1080233599 /nfs/dbraw/zinc/23/35/99/1080233599.db2.gz JOWBQNRMNLYEFG-HNNXBMFYSA-N 1 2 418.502 0.921 20 0 HCADLO CCO[C@H](C)c1noc(CN(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000465635113 1080233454 /nfs/dbraw/zinc/23/34/54/1080233454.db2.gz JOWBQNRMNLYEFG-OAHLLOKOSA-N 1 2 418.502 0.921 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(Cc2ccon2)CC1 ZINC000465642012 1080240123 /nfs/dbraw/zinc/24/01/23/1080240123.db2.gz UHCMBHMBYDUYGF-UHFFFAOYSA-N 1 2 400.487 0.114 20 0 HCADLO CS(=O)(=O)C1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000465642514 1080238571 /nfs/dbraw/zinc/23/85/71/1080238571.db2.gz UUWPSBRCUTZKCI-UHFFFAOYSA-N 1 2 410.544 0.254 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)cn1 ZINC000465645796 1080242394 /nfs/dbraw/zinc/24/23/94/1080242394.db2.gz KJWKZKLAZBLAFJ-KRWDZBQOSA-N 1 2 413.530 0.300 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)cn1 ZINC000465645797 1080242672 /nfs/dbraw/zinc/24/26/72/1080242672.db2.gz KJWKZKLAZBLAFJ-QGZVFWFLSA-N 1 2 413.530 0.300 20 0 HCADLO O=C(NCCN1CCN(c2ncccn2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465648518 1080244529 /nfs/dbraw/zinc/24/45/29/1080244529.db2.gz IAVUAFWVQKLNFK-GOSISDBHSA-N 1 2 403.531 0.105 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000465650116 1080243752 /nfs/dbraw/zinc/24/37/52/1080243752.db2.gz CEFIOWJQFPXDRK-INIZCTEOSA-N 1 2 415.523 0.543 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000465650118 1080243650 /nfs/dbraw/zinc/24/36/50/1080243650.db2.gz CEFIOWJQFPXDRK-MRXNPFEDSA-N 1 2 415.523 0.543 20 0 HCADLO O=C(NCCS(=O)(=O)NCc1ccccc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465658276 1080247147 /nfs/dbraw/zinc/24/71/47/1080247147.db2.gz GGZCMZIDLNUREZ-GOSISDBHSA-N 1 2 410.540 0.612 20 0 HCADLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000465660608 1080252906 /nfs/dbraw/zinc/25/29/06/1080252906.db2.gz MGWBWSPCNVSNLW-HNNXBMFYSA-N 1 2 400.531 0.879 20 0 HCADLO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000465660610 1080252970 /nfs/dbraw/zinc/25/29/70/1080252970.db2.gz MGWBWSPCNVSNLW-OAHLLOKOSA-N 1 2 400.531 0.879 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000465661888 1080250245 /nfs/dbraw/zinc/25/02/45/1080250245.db2.gz VZXNVRLFOOFYJW-KRWDZBQOSA-N 1 2 403.531 0.641 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000465661889 1080250003 /nfs/dbraw/zinc/25/00/03/1080250003.db2.gz VZXNVRLFOOFYJW-QGZVFWFLSA-N 1 2 403.531 0.641 20 0 HCADLO CNc1cc(N2CCC[C@H]2CNC(=O)NC2CCN(C(=O)COC)CC2)[nH+]cn1 ZINC000465662441 1080250982 /nfs/dbraw/zinc/25/09/82/1080250982.db2.gz LWLJFVPHVYTFGQ-HNNXBMFYSA-N 1 2 405.503 0.424 20 0 HCADLO CNc1cc(N2CCC[C@H]2CNC(=O)NC2CCN(C(=O)COC)CC2)nc[nH+]1 ZINC000465662441 1080250974 /nfs/dbraw/zinc/25/09/74/1080250974.db2.gz LWLJFVPHVYTFGQ-HNNXBMFYSA-N 1 2 405.503 0.424 20 0 HCADLO CNc1cc(N2CCC[C@@H]2CNC(=O)NC2CCN(C(=O)COC)CC2)[nH+]cn1 ZINC000465662442 1080250938 /nfs/dbraw/zinc/25/09/38/1080250938.db2.gz LWLJFVPHVYTFGQ-OAHLLOKOSA-N 1 2 405.503 0.424 20 0 HCADLO CNc1cc(N2CCC[C@@H]2CNC(=O)NC2CCN(C(=O)COC)CC2)nc[nH+]1 ZINC000465662442 1080250933 /nfs/dbraw/zinc/25/09/33/1080250933.db2.gz LWLJFVPHVYTFGQ-OAHLLOKOSA-N 1 2 405.503 0.424 20 0 HCADLO CC(C)N1C(=O)CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1(C)C ZINC000465665224 1080254376 /nfs/dbraw/zinc/25/43/76/1080254376.db2.gz ZGWKPRXTQYWYMU-UHFFFAOYSA-N 1 2 403.531 0.639 20 0 HCADLO COCCCOC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000465670770 1080256587 /nfs/dbraw/zinc/25/65/87/1080256587.db2.gz XKKTTWDKFVCZJS-UHFFFAOYSA-N 1 2 406.531 0.826 20 0 HCADLO COc1cc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1OCC(N)=O ZINC000465673079 1080255156 /nfs/dbraw/zinc/25/51/56/1080255156.db2.gz VOIFKQCXPOKDSM-MRXNPFEDSA-N 1 2 406.483 0.566 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000465679509 1080261955 /nfs/dbraw/zinc/26/19/55/1080261955.db2.gz JALVXXLFGNLHJP-QGZVFWFLSA-N 1 2 410.540 0.943 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465687937 1080263825 /nfs/dbraw/zinc/26/38/25/1080263825.db2.gz JDKQNOASJJFLCR-UHFFFAOYSA-N 1 2 408.484 0.729 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465694419 1080266844 /nfs/dbraw/zinc/26/68/44/1080266844.db2.gz OWQRTDNAIMQMSM-UHFFFAOYSA-N 1 2 422.511 0.607 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000465699841 1080265890 /nfs/dbraw/zinc/26/58/90/1080265890.db2.gz WJLDEDXDLZBCSB-UHFFFAOYSA-N 1 2 404.515 0.140 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000465732067 1080285593 /nfs/dbraw/zinc/28/55/93/1080285593.db2.gz XJMQGUQOHUMSKT-UHFFFAOYSA-N 1 2 418.473 0.601 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000465738524 1080290732 /nfs/dbraw/zinc/29/07/32/1080290732.db2.gz JYHOEDHBUPLSBE-UHFFFAOYSA-N 1 2 400.483 0.462 20 0 HCADLO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CCO2)n1 ZINC000465745723 1080296364 /nfs/dbraw/zinc/29/63/64/1080296364.db2.gz GDZKWLOFTSCYOL-HKUYNNGSSA-N 1 2 424.571 0.513 20 0 HCADLO Cc1nc(C)n(C[C@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CCO2)n1 ZINC000465745727 1080296489 /nfs/dbraw/zinc/29/64/89/1080296489.db2.gz GDZKWLOFTSCYOL-IEBWSBKVSA-N 1 2 424.571 0.513 20 0 HCADLO Cc1nc(C)n(C[C@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CCO2)n1 ZINC000465745729 1080296380 /nfs/dbraw/zinc/29/63/80/1080296380.db2.gz GDZKWLOFTSCYOL-MJGOQNOKSA-N 1 2 424.571 0.513 20 0 HCADLO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CCO2)n1 ZINC000465745731 1080296539 /nfs/dbraw/zinc/29/65/39/1080296539.db2.gz GDZKWLOFTSCYOL-PKOBYXMFSA-N 1 2 424.571 0.513 20 0 HCADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N(CCO)CCOCC(F)(F)F ZINC000465750194 1080300637 /nfs/dbraw/zinc/30/06/37/1080300637.db2.gz IGAOOFYHZADELW-HNNXBMFYSA-N 1 2 415.478 0.777 20 0 HCADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N(CCO)CCOCC(F)(F)F ZINC000465750195 1080300816 /nfs/dbraw/zinc/30/08/16/1080300816.db2.gz IGAOOFYHZADELW-OAHLLOKOSA-N 1 2 415.478 0.777 20 0 HCADLO Cc1cc(N2CC[C@@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2=O)n(C)n1 ZINC000465751089 1080300766 /nfs/dbraw/zinc/30/07/66/1080300766.db2.gz IYGCSHDSYORUQS-BEFAXECRSA-N 1 2 422.555 0.341 20 0 HCADLO Cc1cc(N2CC[C@@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2=O)n(C)n1 ZINC000465751090 1080300739 /nfs/dbraw/zinc/30/07/39/1080300739.db2.gz IYGCSHDSYORUQS-DNVCBOLYSA-N 1 2 422.555 0.341 20 0 HCADLO Cc1cc(N2CC[C@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2=O)n(C)n1 ZINC000465751091 1080300917 /nfs/dbraw/zinc/30/09/17/1080300917.db2.gz IYGCSHDSYORUQS-HNAYVOBHSA-N 1 2 422.555 0.341 20 0 HCADLO Cc1cc(N2CC[C@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2=O)n(C)n1 ZINC000465751092 1080301317 /nfs/dbraw/zinc/30/13/17/1080301317.db2.gz IYGCSHDSYORUQS-KXBFYZLASA-N 1 2 422.555 0.341 20 0 HCADLO Cn1ccc(N2CCC[C@@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2=O)n1 ZINC000465752407 1080305576 /nfs/dbraw/zinc/30/55/76/1080305576.db2.gz LQLGPBRKIHNTJG-BEFAXECRSA-N 1 2 422.555 0.423 20 0 HCADLO Cn1ccc(N2CCC[C@@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2=O)n1 ZINC000465752408 1080305636 /nfs/dbraw/zinc/30/56/36/1080305636.db2.gz LQLGPBRKIHNTJG-DNVCBOLYSA-N 1 2 422.555 0.423 20 0 HCADLO Cn1ccc(N2CCC[C@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2=O)n1 ZINC000465752409 1080305457 /nfs/dbraw/zinc/30/54/57/1080305457.db2.gz LQLGPBRKIHNTJG-HNAYVOBHSA-N 1 2 422.555 0.423 20 0 HCADLO Cn1ccc(N2CCC[C@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2=O)n1 ZINC000465752410 1080305486 /nfs/dbraw/zinc/30/54/86/1080305486.db2.gz LQLGPBRKIHNTJG-KXBFYZLASA-N 1 2 422.555 0.423 20 0 HCADLO NC(=O)COc1cccc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000465754673 1080307582 /nfs/dbraw/zinc/30/75/82/1080307582.db2.gz KRDKPWMYYBLOEK-IBGZPJMESA-N 1 2 408.524 0.558 20 0 HCADLO NC(=O)COc1cccc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000465754697 1080307608 /nfs/dbraw/zinc/30/76/08/1080307608.db2.gz KRDKPWMYYBLOEK-LJQANCHMSA-N 1 2 408.524 0.558 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)cn1 ZINC000465760339 1080318476 /nfs/dbraw/zinc/31/84/76/1080318476.db2.gz SLEZZYDFTHSUTJ-APWZRJJASA-N 1 2 408.572 0.896 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)cn1 ZINC000465760340 1080318345 /nfs/dbraw/zinc/31/83/45/1080318345.db2.gz SLEZZYDFTHSUTJ-LPHOPBHVSA-N 1 2 408.572 0.896 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)cn1 ZINC000465760341 1080318206 /nfs/dbraw/zinc/31/82/06/1080318206.db2.gz SLEZZYDFTHSUTJ-QFBILLFUSA-N 1 2 408.572 0.896 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)cn1 ZINC000465760342 1080318290 /nfs/dbraw/zinc/31/82/90/1080318290.db2.gz SLEZZYDFTHSUTJ-VQIMIIECSA-N 1 2 408.572 0.896 20 0 HCADLO CS(=O)(=O)C1CCC(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000465762061 1080318896 /nfs/dbraw/zinc/31/88/96/1080318896.db2.gz RHXHQZFUOXTNJQ-DQPZFDDXSA-N 1 2 405.586 0.849 20 0 HCADLO CS(=O)(=O)C1CCC(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000465762063 1080319221 /nfs/dbraw/zinc/31/92/21/1080319221.db2.gz RHXHQZFUOXTNJQ-VMBOVVBDSA-N 1 2 405.586 0.849 20 0 HCADLO C[C@H](CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000465772307 1080333453 /nfs/dbraw/zinc/33/34/53/1080333453.db2.gz QLYJARYWXYFELT-GOSISDBHSA-N 1 2 403.575 0.516 20 0 HCADLO C[C@@H](CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000465772310 1080333331 /nfs/dbraw/zinc/33/33/31/1080333331.db2.gz QLYJARYWXYFELT-SFHVURJKSA-N 1 2 403.575 0.516 20 0 HCADLO O=C(CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000465774111 1080333213 /nfs/dbraw/zinc/33/32/13/1080333213.db2.gz CQNDDGHFZUXHBP-HXUWFJFHSA-N 1 2 415.538 0.841 20 0 HCADLO COC(=O)[C@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000465804975 1080346028 /nfs/dbraw/zinc/34/60/28/1080346028.db2.gz FBVDKAHUOUSWOZ-INIZCTEOSA-N 1 2 403.483 0.715 20 0 HCADLO O=C(CCNC(=O)N1CCC2(CNC(=O)C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000465807707 1073688930 /nfs/dbraw/zinc/68/89/30/1073688930.db2.gz IKHUBOCPDOSQPW-UHFFFAOYSA-N 1 2 414.510 0.432 20 0 HCADLO O=C(CCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000465812234 1080350738 /nfs/dbraw/zinc/35/07/38/1080350738.db2.gz JPTRKWGMQRZURC-NRFANRHFSA-N 1 2 414.510 0.432 20 0 HCADLO O=C(CCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000465812235 1080350610 /nfs/dbraw/zinc/35/06/10/1080350610.db2.gz JPTRKWGMQRZURC-OAQYLSRUSA-N 1 2 414.510 0.432 20 0 HCADLO COCCOC[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000465822657 1080356162 /nfs/dbraw/zinc/35/61/62/1080356162.db2.gz ZDQDICGIPRUKBU-GOSISDBHSA-N 1 2 419.526 0.815 20 0 HCADLO COCCOC[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000465822658 1080356067 /nfs/dbraw/zinc/35/60/67/1080356067.db2.gz ZDQDICGIPRUKBU-SFHVURJKSA-N 1 2 419.526 0.815 20 0 HCADLO C[C@]1(c2ccc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2)NC(=O)NC1=O ZINC000465836972 1080366204 /nfs/dbraw/zinc/36/62/04/1080366204.db2.gz GQCLGCYTLNPSPT-DYESRHJHSA-N 1 2 415.494 0.747 20 0 HCADLO C[C@@]1(c2ccc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2)NC(=O)NC1=O ZINC000465836973 1080366077 /nfs/dbraw/zinc/36/60/77/1080366077.db2.gz GQCLGCYTLNPSPT-UTKZUKDTSA-N 1 2 415.494 0.747 20 0 HCADLO CS(=O)(=O)c1ccc(OCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000465854120 1080378714 /nfs/dbraw/zinc/37/87/14/1080378714.db2.gz FTCKOGPUZOPWMG-MRXNPFEDSA-N 1 2 411.524 0.975 20 0 HCADLO C[C@@](O)(CNC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1)C[NH+]1CCOCC1 ZINC000465877966 1080462511 /nfs/dbraw/zinc/46/25/11/1080462511.db2.gz NZINSOMVHXKCDJ-IFMALSPDSA-N 1 2 420.554 0.312 20 0 HCADLO C[C@](O)(CNC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1)C[NH+]1CCOCC1 ZINC000465877967 1080462568 /nfs/dbraw/zinc/46/25/68/1080462568.db2.gz NZINSOMVHXKCDJ-IRLDBZIGSA-N 1 2 420.554 0.312 20 0 HCADLO C[C@@](O)(CNC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)C[NH+]1CCOCC1 ZINC000465877968 1080462522 /nfs/dbraw/zinc/46/25/22/1080462522.db2.gz NZINSOMVHXKCDJ-RBBKRZOGSA-N 1 2 420.554 0.312 20 0 HCADLO C[C@](O)(CNC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)C[NH+]1CCOCC1 ZINC000465877969 1080462659 /nfs/dbraw/zinc/46/26/59/1080462659.db2.gz NZINSOMVHXKCDJ-UNMCSNQZSA-N 1 2 420.554 0.312 20 0 HCADLO Cn1nc2c(cc1=O)CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)CC2 ZINC000465882986 1080467685 /nfs/dbraw/zinc/46/76/85/1080467685.db2.gz YESLGGSYIYJZOX-IBGZPJMESA-N 1 2 411.506 0.792 20 0 HCADLO Cn1nc2c(cc1=O)CN(C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)CC2 ZINC000465882990 1080467832 /nfs/dbraw/zinc/46/78/32/1080467832.db2.gz YESLGGSYIYJZOX-LJQANCHMSA-N 1 2 411.506 0.792 20 0 HCADLO CCOC(=O)c1cnc(N2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)s1 ZINC000465894438 1080494915 /nfs/dbraw/zinc/49/49/15/1080494915.db2.gz GAAIYUJXVIMKKI-AWEZNQCLSA-N 1 2 411.528 0.872 20 0 HCADLO CCOC(=O)c1cnc(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)s1 ZINC000465894438 1080494911 /nfs/dbraw/zinc/49/49/11/1080494911.db2.gz GAAIYUJXVIMKKI-AWEZNQCLSA-N 1 2 411.528 0.872 20 0 HCADLO CCOC(=O)c1cnc(N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)s1 ZINC000465894439 1080495222 /nfs/dbraw/zinc/49/52/22/1080495222.db2.gz GAAIYUJXVIMKKI-CQSZACIVSA-N 1 2 411.528 0.872 20 0 HCADLO CCOC(=O)c1cnc(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)s1 ZINC000465894439 1080495212 /nfs/dbraw/zinc/49/52/12/1080495212.db2.gz GAAIYUJXVIMKKI-CQSZACIVSA-N 1 2 411.528 0.872 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)n1 ZINC000465896536 1080500570 /nfs/dbraw/zinc/50/05/70/1080500570.db2.gz VPHYMZXHGCCNHF-CVEARBPZSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)n1 ZINC000465896536 1080500561 /nfs/dbraw/zinc/50/05/61/1080500561.db2.gz VPHYMZXHGCCNHF-CVEARBPZSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)n1 ZINC000465896538 1080500521 /nfs/dbraw/zinc/50/05/21/1080500521.db2.gz VPHYMZXHGCCNHF-HOTGVXAUSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)n1 ZINC000465896538 1080500506 /nfs/dbraw/zinc/50/05/06/1080500506.db2.gz VPHYMZXHGCCNHF-HOTGVXAUSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)n1 ZINC000465896540 1080500420 /nfs/dbraw/zinc/50/04/20/1080500420.db2.gz VPHYMZXHGCCNHF-HZPDHXFCSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)n1 ZINC000465896540 1080500396 /nfs/dbraw/zinc/50/03/96/1080500396.db2.gz VPHYMZXHGCCNHF-HZPDHXFCSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)n1 ZINC000465896542 1080501045 /nfs/dbraw/zinc/50/10/45/1080501045.db2.gz VPHYMZXHGCCNHF-JKSUJKDBSA-N 1 2 410.519 0.715 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)n1 ZINC000465896542 1080501031 /nfs/dbraw/zinc/50/10/31/1080501031.db2.gz VPHYMZXHGCCNHF-JKSUJKDBSA-N 1 2 410.519 0.715 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000465908300 1080512442 /nfs/dbraw/zinc/51/24/42/1080512442.db2.gz KSPGDAILFKWPAJ-KRWDZBQOSA-N 1 2 411.572 0.551 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000465908301 1080513271 /nfs/dbraw/zinc/51/32/71/1080513271.db2.gz KSPGDAILFKWPAJ-QGZVFWFLSA-N 1 2 411.572 0.551 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC2)n1 ZINC000465910394 1080516704 /nfs/dbraw/zinc/51/67/04/1080516704.db2.gz ZERZWTQDRJDQBJ-DLBZAZTESA-N 1 2 423.562 0.630 20 0 HCADLO 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Cc1nc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)no1 ZINC000465914454 1080520043 /nfs/dbraw/zinc/52/00/43/1080520043.db2.gz BLZOJTQORZXRMZ-AWEZNQCLSA-N 1 2 402.459 0.473 20 0 HCADLO Cc1nc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)no1 ZINC000465914454 1080520029 /nfs/dbraw/zinc/52/00/29/1080520029.db2.gz BLZOJTQORZXRMZ-AWEZNQCLSA-N 1 2 402.459 0.473 20 0 HCADLO Cc1nc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)no1 ZINC000465914455 1080520385 /nfs/dbraw/zinc/52/03/85/1080520385.db2.gz BLZOJTQORZXRMZ-CQSZACIVSA-N 1 2 402.459 0.473 20 0 HCADLO Cc1nc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)no1 ZINC000465914455 1080520372 /nfs/dbraw/zinc/52/03/72/1080520372.db2.gz BLZOJTQORZXRMZ-CQSZACIVSA-N 1 2 402.459 0.473 20 0 HCADLO CC(C)[C@@H](CCO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000465914463 1080520872 /nfs/dbraw/zinc/52/08/72/1080520872.db2.gz BNASGISXOBHQAU-DLBZAZTESA-N 1 2 406.531 0.988 20 0 HCADLO CC(C)[C@@H](CCO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 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CCN(CC)S(=O)(=O)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000465960025 1080593189 /nfs/dbraw/zinc/59/31/89/1080593189.db2.gz UZLQIBOVKKDDRW-CQSZACIVSA-N 1 2 413.548 0.458 20 0 HCADLO CC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000465960538 1080591320 /nfs/dbraw/zinc/59/13/20/1080591320.db2.gz XKLWZAHPESUIGF-KRWDZBQOSA-N 1 2 410.544 0.352 20 0 HCADLO CC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000465960540 1080591363 /nfs/dbraw/zinc/59/13/63/1080591363.db2.gz XKLWZAHPESUIGF-QGZVFWFLSA-N 1 2 410.544 0.352 20 0 HCADLO C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cnn(C)c1 ZINC000465967649 1080599092 /nfs/dbraw/zinc/59/90/92/1080599092.db2.gz RLKRCUBDDGCACX-HNNXBMFYSA-N 1 2 400.487 0.640 20 0 HCADLO C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cnn(C)c1 ZINC000465967649 1080599083 /nfs/dbraw/zinc/59/90/83/1080599083.db2.gz RLKRCUBDDGCACX-HNNXBMFYSA-N 1 2 400.487 0.640 20 0 HCADLO C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cnn(C)c1 ZINC000465967650 1080599062 /nfs/dbraw/zinc/59/90/62/1080599062.db2.gz RLKRCUBDDGCACX-OAHLLOKOSA-N 1 2 400.487 0.640 20 0 HCADLO C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cnn(C)c1 ZINC000465967650 1080599055 /nfs/dbraw/zinc/59/90/55/1080599055.db2.gz RLKRCUBDDGCACX-OAHLLOKOSA-N 1 2 400.487 0.640 20 0 HCADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000465989944 1080756939 /nfs/dbraw/zinc/75/69/39/1080756939.db2.gz CAWSNROBYQTLQO-INIZCTEOSA-N 1 2 401.577 0.775 20 0 HCADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000465989957 1080756506 /nfs/dbraw/zinc/75/65/06/1080756506.db2.gz CAWSNROBYQTLQO-MRXNPFEDSA-N 1 2 401.577 0.775 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000466022826 1080817703 /nfs/dbraw/zinc/81/77/03/1080817703.db2.gz OYUVXYWBRBTQFD-UHFFFAOYSA-N 1 2 400.483 0.462 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)C2)cn1 ZINC000466036531 1080836582 /nfs/dbraw/zinc/83/65/82/1080836582.db2.gz DXUVOTYGPNCDGZ-HNNXBMFYSA-N 1 2 424.513 0.597 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)C2)cn1 ZINC000466036533 1080836573 /nfs/dbraw/zinc/83/65/73/1080836573.db2.gz DXUVOTYGPNCDGZ-OAHLLOKOSA-N 1 2 424.513 0.597 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCOC2CCOCC2)CC1 ZINC000466057901 1080857261 /nfs/dbraw/zinc/85/72/61/1080857261.db2.gz ZFBUDEPRCYJRBE-UHFFFAOYSA-N 1 2 403.487 0.781 20 0 HCADLO C[C@H](O)CC(C)(C)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000466059373 1080857320 /nfs/dbraw/zinc/85/73/20/1080857320.db2.gz QLQHDQVJFMIHTO-INIZCTEOSA-N 1 2 406.531 0.942 20 0 HCADLO C[C@H](O)CC(C)(C)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000466059373 1080857319 /nfs/dbraw/zinc/85/73/19/1080857319.db2.gz QLQHDQVJFMIHTO-INIZCTEOSA-N 1 2 406.531 0.942 20 0 HCADLO C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000466059374 1080857292 /nfs/dbraw/zinc/85/72/92/1080857292.db2.gz QLQHDQVJFMIHTO-MRXNPFEDSA-N 1 2 406.531 0.942 20 0 HCADLO C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000466059374 1080857291 /nfs/dbraw/zinc/85/72/91/1080857291.db2.gz QLQHDQVJFMIHTO-MRXNPFEDSA-N 1 2 406.531 0.942 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000466069671 1080868625 /nfs/dbraw/zinc/86/86/25/1080868625.db2.gz RPQGDRQNIITYME-AEFFLSMTSA-N 1 2 403.531 0.337 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000466069672 1080868593 /nfs/dbraw/zinc/86/85/93/1080868593.db2.gz RPQGDRQNIITYME-FUHWJXTLSA-N 1 2 403.531 0.337 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000466069673 1080868487 /nfs/dbraw/zinc/86/84/87/1080868487.db2.gz RPQGDRQNIITYME-SJLPKXTDSA-N 1 2 403.531 0.337 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000466069674 1080868499 /nfs/dbraw/zinc/86/84/99/1080868499.db2.gz RPQGDRQNIITYME-WMZOPIPTSA-N 1 2 403.531 0.337 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000466083670 1080875744 /nfs/dbraw/zinc/87/57/44/1080875744.db2.gz YFDLSZOEYZIEDT-UHFFFAOYSA-N 1 2 421.527 0.551 20 0 HCADLO COC(C)(C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466096782 1080885505 /nfs/dbraw/zinc/88/55/05/1080885505.db2.gz BYOOBNYQMCVJOQ-HNNXBMFYSA-N 1 2 405.565 0.009 20 0 HCADLO COC(C)(C)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466096783 1080885540 /nfs/dbraw/zinc/88/55/40/1080885540.db2.gz BYOOBNYQMCVJOQ-OAHLLOKOSA-N 1 2 405.565 0.009 20 0 HCADLO Cc1nc(C)c(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000466108773 1080892776 /nfs/dbraw/zinc/89/27/76/1080892776.db2.gz JTXDCBSRPKWECS-UHFFFAOYSA-N 1 2 416.573 0.079 20 0 HCADLO COCCOC[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000466112089 1080894602 /nfs/dbraw/zinc/89/46/02/1080894602.db2.gz JAUSLGVOVBKSBG-INIZCTEOSA-N 1 2 408.503 0.196 20 0 HCADLO COCCOC[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000466112089 1080894599 /nfs/dbraw/zinc/89/45/99/1080894599.db2.gz JAUSLGVOVBKSBG-INIZCTEOSA-N 1 2 408.503 0.196 20 0 HCADLO COCCOC[C@@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000466112090 1080894591 /nfs/dbraw/zinc/89/45/91/1080894591.db2.gz JAUSLGVOVBKSBG-MRXNPFEDSA-N 1 2 408.503 0.196 20 0 HCADLO COCCOC[C@@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000466112090 1080894590 /nfs/dbraw/zinc/89/45/90/1080894590.db2.gz JAUSLGVOVBKSBG-MRXNPFEDSA-N 1 2 408.503 0.196 20 0 HCADLO COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000466138157 1080934682 /nfs/dbraw/zinc/93/46/82/1080934682.db2.gz IHKVUTXHXOOOHP-MSOLQXFVSA-N 1 2 414.510 0.940 20 0 HCADLO COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000466138157 1080934661 /nfs/dbraw/zinc/93/46/61/1080934661.db2.gz IHKVUTXHXOOOHP-MSOLQXFVSA-N 1 2 414.510 0.940 20 0 HCADLO COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000466138158 1080934880 /nfs/dbraw/zinc/93/48/80/1080934880.db2.gz IHKVUTXHXOOOHP-QZTJIDSGSA-N 1 2 414.510 0.940 20 0 HCADLO COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000466138158 1080934862 /nfs/dbraw/zinc/93/48/62/1080934862.db2.gz IHKVUTXHXOOOHP-QZTJIDSGSA-N 1 2 414.510 0.940 20 0 HCADLO COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000466138159 1080934539 /nfs/dbraw/zinc/93/45/39/1080934539.db2.gz IHKVUTXHXOOOHP-ROUUACIJSA-N 1 2 414.510 0.940 20 0 HCADLO COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000466138159 1080934519 /nfs/dbraw/zinc/93/45/19/1080934519.db2.gz IHKVUTXHXOOOHP-ROUUACIJSA-N 1 2 414.510 0.940 20 0 HCADLO COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000466138160 1080934928 /nfs/dbraw/zinc/93/49/28/1080934928.db2.gz IHKVUTXHXOOOHP-ZWKOTPCHSA-N 1 2 414.510 0.940 20 0 HCADLO COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000466138160 1080934916 /nfs/dbraw/zinc/93/49/16/1080934916.db2.gz IHKVUTXHXOOOHP-ZWKOTPCHSA-N 1 2 414.510 0.940 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000466167942 1080973409 /nfs/dbraw/zinc/97/34/09/1080973409.db2.gz PIMLAEWVBYLCOE-DLBZAZTESA-N 1 2 403.531 0.337 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000466167943 1080973672 /nfs/dbraw/zinc/97/36/72/1080973672.db2.gz PIMLAEWVBYLCOE-IAGOWNOFSA-N 1 2 403.531 0.337 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000466167944 1080974614 /nfs/dbraw/zinc/97/46/14/1080974614.db2.gz PIMLAEWVBYLCOE-IRXDYDNUSA-N 1 2 403.531 0.337 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000466167945 1080974382 /nfs/dbraw/zinc/97/43/82/1080974382.db2.gz PIMLAEWVBYLCOE-SJORKVTESA-N 1 2 403.531 0.337 20 0 HCADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000466199564 1081004471 /nfs/dbraw/zinc/00/44/71/1081004471.db2.gz FGEFSUFHZWUWMD-AWEZNQCLSA-N 1 2 405.542 0.364 20 0 HCADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000466199564 1081004461 /nfs/dbraw/zinc/00/44/61/1081004461.db2.gz FGEFSUFHZWUWMD-AWEZNQCLSA-N 1 2 405.542 0.364 20 0 HCADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000466199565 1081005117 /nfs/dbraw/zinc/00/51/17/1081005117.db2.gz FGEFSUFHZWUWMD-CQSZACIVSA-N 1 2 405.542 0.364 20 0 HCADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000466199565 1081005105 /nfs/dbraw/zinc/00/51/05/1081005105.db2.gz FGEFSUFHZWUWMD-CQSZACIVSA-N 1 2 405.542 0.364 20 0 HCADLO COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)CC2 ZINC000466217302 1081019801 /nfs/dbraw/zinc/01/98/01/1081019801.db2.gz MWAUHWCVQZFMOX-KBXCAEBGSA-N 1 2 410.544 0.246 20 0 HCADLO COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)CC2 ZINC000466217303 1081019593 /nfs/dbraw/zinc/01/95/93/1081019593.db2.gz MWAUHWCVQZFMOX-KDOFPFPSSA-N 1 2 410.544 0.246 20 0 HCADLO COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)CC2 ZINC000466217304 1081019630 /nfs/dbraw/zinc/01/96/30/1081019630.db2.gz MWAUHWCVQZFMOX-KSSFIOAISA-N 1 2 410.544 0.246 20 0 HCADLO COCc1nc2n(n1)C[C@H](NC(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)CC2 ZINC000466217305 1081019765 /nfs/dbraw/zinc/01/97/65/1081019765.db2.gz MWAUHWCVQZFMOX-RDTXWAMCSA-N 1 2 410.544 0.246 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000466223037 1081023042 /nfs/dbraw/zinc/02/30/42/1081023042.db2.gz WARQFWBDCRKPQY-UHFFFAOYSA-N 1 2 424.465 0.259 20 0 HCADLO NC(=O)[C@H]1CCCCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000466239072 1081036129 /nfs/dbraw/zinc/03/61/29/1081036129.db2.gz BOCSEXXSBQDEKC-DLBZAZTESA-N 1 2 416.526 0.854 20 0 HCADLO NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000466239085 1081036148 /nfs/dbraw/zinc/03/61/48/1081036148.db2.gz BOCSEXXSBQDEKC-IAGOWNOFSA-N 1 2 416.526 0.854 20 0 HCADLO NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000466239087 1081036378 /nfs/dbraw/zinc/03/63/78/1081036378.db2.gz BOCSEXXSBQDEKC-IRXDYDNUSA-N 1 2 416.526 0.854 20 0 HCADLO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000466239088 1081036168 /nfs/dbraw/zinc/03/61/68/1081036168.db2.gz BOCSEXXSBQDEKC-SJORKVTESA-N 1 2 416.526 0.854 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466239697 1081037239 /nfs/dbraw/zinc/03/72/39/1081037239.db2.gz CBVADUXCAYFLLK-DLBZAZTESA-N 1 2 403.531 0.255 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466239698 1081037315 /nfs/dbraw/zinc/03/73/15/1081037315.db2.gz CBVADUXCAYFLLK-IAGOWNOFSA-N 1 2 403.531 0.255 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466239699 1081037112 /nfs/dbraw/zinc/03/71/12/1081037112.db2.gz CBVADUXCAYFLLK-IRXDYDNUSA-N 1 2 403.531 0.255 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466239700 1081037827 /nfs/dbraw/zinc/03/78/27/1081037827.db2.gz CBVADUXCAYFLLK-SJORKVTESA-N 1 2 403.531 0.255 20 0 HCADLO CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000466261177 1081047192 /nfs/dbraw/zinc/04/71/92/1081047192.db2.gz ZUMQTIYAQZUZQT-INIZCTEOSA-N 1 2 420.514 0.733 20 0 HCADLO CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000466261177 1081047187 /nfs/dbraw/zinc/04/71/87/1081047187.db2.gz ZUMQTIYAQZUZQT-INIZCTEOSA-N 1 2 420.514 0.733 20 0 HCADLO CC(C)OC(=O)[C@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000466261180 1081047209 /nfs/dbraw/zinc/04/72/09/1081047209.db2.gz ZUMQTIYAQZUZQT-MRXNPFEDSA-N 1 2 420.514 0.733 20 0 HCADLO CC(C)OC(=O)[C@H](C)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000466261180 1081047204 /nfs/dbraw/zinc/04/72/04/1081047204.db2.gz ZUMQTIYAQZUZQT-MRXNPFEDSA-N 1 2 420.514 0.733 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466270025 1081053865 /nfs/dbraw/zinc/05/38/65/1081053865.db2.gz XSZHVWHNAXWGJH-KRWDZBQOSA-N 1 2 403.483 0.317 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466270027 1081053885 /nfs/dbraw/zinc/05/38/85/1081053885.db2.gz XSZHVWHNAXWGJH-QGZVFWFLSA-N 1 2 403.483 0.317 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466289878 1081062663 /nfs/dbraw/zinc/06/26/63/1081062663.db2.gz SMFAYDNQJQABBJ-KRWDZBQOSA-N 1 2 403.483 0.317 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466289879 1081062500 /nfs/dbraw/zinc/06/25/00/1081062500.db2.gz SMFAYDNQJQABBJ-QGZVFWFLSA-N 1 2 403.483 0.317 20 0 HCADLO CN(CC[NH+]1CCOCC1)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000466317988 1081078053 /nfs/dbraw/zinc/07/80/53/1081078053.db2.gz AJFBTEYUEPBJQU-UHFFFAOYSA-N 1 2 418.947 0.982 20 0 HCADLO CCOCCS(=O)(=O)NCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000466330696 1081085160 /nfs/dbraw/zinc/08/51/60/1081085160.db2.gz ZYCCPGIRPWZONV-UHFFFAOYSA-N 1 2 413.544 0.513 20 0 HCADLO CCc1cnc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000466337195 1081087619 /nfs/dbraw/zinc/08/76/19/1081087619.db2.gz MZWPIXSCXUWATH-UHFFFAOYSA-N 1 2 416.573 0.025 20 0 HCADLO COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CCO2 ZINC000466341780 1081089190 /nfs/dbraw/zinc/08/91/90/1081089190.db2.gz PJPAMSSEBJWXBW-QAPCUYQASA-N 1 2 403.479 0.816 20 0 HCADLO COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CCO2 ZINC000466341781 1081089082 /nfs/dbraw/zinc/08/90/82/1081089082.db2.gz PJPAMSSEBJWXBW-YJBOKZPZSA-N 1 2 403.479 0.816 20 0 HCADLO CCOCCS(=O)(=O)NCC(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000466349320 1081098521 /nfs/dbraw/zinc/09/85/21/1081098521.db2.gz FTYNADPNHZFKJZ-UHFFFAOYSA-N 1 2 412.556 0.719 20 0 HCADLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCN(Cc3nc(C)no3)CC2)[nH+]cn1 ZINC000466355283 1081102447 /nfs/dbraw/zinc/10/24/47/1081102447.db2.gz GGERHDOHVVRTGO-HNNXBMFYSA-N 1 2 415.502 0.706 20 0 HCADLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCN(Cc3nc(C)no3)CC2)nc[nH+]1 ZINC000466355283 1081102443 /nfs/dbraw/zinc/10/24/43/1081102443.db2.gz GGERHDOHVVRTGO-HNNXBMFYSA-N 1 2 415.502 0.706 20 0 HCADLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCN(Cc3nc(C)no3)CC2)[nH+]cn1 ZINC000466355284 1081102478 /nfs/dbraw/zinc/10/24/78/1081102478.db2.gz GGERHDOHVVRTGO-OAHLLOKOSA-N 1 2 415.502 0.706 20 0 HCADLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCN(Cc3nc(C)no3)CC2)nc[nH+]1 ZINC000466355284 1081102473 /nfs/dbraw/zinc/10/24/73/1081102473.db2.gz GGERHDOHVVRTGO-OAHLLOKOSA-N 1 2 415.502 0.706 20 0 HCADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466432058 1081150118 /nfs/dbraw/zinc/15/01/18/1081150118.db2.gz UPIQKSLPDZHPMP-UHFFFAOYSA-N 1 2 424.461 0.878 20 0 HCADLO Cn1nc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1OC(F)F ZINC000466433315 1081153604 /nfs/dbraw/zinc/15/36/04/1081153604.db2.gz BIIUVFBIKNDGTM-UHFFFAOYSA-N 1 2 423.424 0.611 20 0 HCADLO Cn1nc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1OC(F)F ZINC000466433315 1081153592 /nfs/dbraw/zinc/15/35/92/1081153592.db2.gz BIIUVFBIKNDGTM-UHFFFAOYSA-N 1 2 423.424 0.611 20 0 HCADLO CCS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466433698 1081150976 /nfs/dbraw/zinc/15/09/76/1081150976.db2.gz FOIUYZLUPPYBHL-UHFFFAOYSA-N 1 2 416.569 0.094 20 0 HCADLO CCS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000466435632 1081155230 /nfs/dbraw/zinc/15/52/30/1081155230.db2.gz WCGHDABPSGHPPY-UHFFFAOYSA-N 1 2 416.569 0.094 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1)Nc1ccccc1 ZINC000466439377 1081157593 /nfs/dbraw/zinc/15/75/93/1081157593.db2.gz SGJKHTCVPXIBFZ-KRWDZBQOSA-N 1 2 400.483 0.509 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1)Nc1ccccc1 ZINC000466439478 1081157727 /nfs/dbraw/zinc/15/77/27/1081157727.db2.gz SGJKHTCVPXIBFZ-QGZVFWFLSA-N 1 2 400.483 0.509 20 0 HCADLO CNC(=O)N[C@H]1CCN(c2nc(N3CC[C@H](NC(=O)NC)C3)c3ccccc3[nH+]2)C1 ZINC000466447078 1081164389 /nfs/dbraw/zinc/16/43/89/1081164389.db2.gz WMNSHMDEXFISOM-KBPBESRZSA-N 1 2 412.498 0.645 20 0 HCADLO CNC(=O)N[C@@H]1CCN(c2nc(N3CC[C@H](NC(=O)NC)C3)[nH+]c3ccccc32)C1 ZINC000466447080 1081164433 /nfs/dbraw/zinc/16/44/33/1081164433.db2.gz WMNSHMDEXFISOM-KGLIPLIRSA-N 1 2 412.498 0.645 20 0 HCADLO CNC(=O)N[C@@H]1CCN(c2nc(N3CC[C@H](NC(=O)NC)C3)c3ccccc3[nH+]2)C1 ZINC000466447082 1081164417 /nfs/dbraw/zinc/16/44/17/1081164417.db2.gz WMNSHMDEXFISOM-UONOGXRCSA-N 1 2 412.498 0.645 20 0 HCADLO CNC(=O)N[C@@H]1CCN(c2nc(N3CC[C@@H](NC(=O)NC)C3)c3ccccc3[nH+]2)C1 ZINC000466447083 1081164469 /nfs/dbraw/zinc/16/44/69/1081164469.db2.gz WMNSHMDEXFISOM-ZIAGYGMSSA-N 1 2 412.498 0.645 20 0 HCADLO C[N@@H+](CCC1CCOCC1)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000466465864 1081189810 /nfs/dbraw/zinc/18/98/10/1081189810.db2.gz OCEOVAVLUVNERU-MSOLQXFVSA-N 1 2 402.557 0.930 20 0 HCADLO C[N@H+](CCC1CCOCC1)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000466465864 1081189801 /nfs/dbraw/zinc/18/98/01/1081189801.db2.gz OCEOVAVLUVNERU-MSOLQXFVSA-N 1 2 402.557 0.930 20 0 HCADLO C[N@@H+](CCC1CCOCC1)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000466465865 1081189905 /nfs/dbraw/zinc/18/99/05/1081189905.db2.gz OCEOVAVLUVNERU-QZTJIDSGSA-N 1 2 402.557 0.930 20 0 HCADLO C[N@H+](CCC1CCOCC1)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000466465865 1081189896 /nfs/dbraw/zinc/18/98/96/1081189896.db2.gz OCEOVAVLUVNERU-QZTJIDSGSA-N 1 2 402.557 0.930 20 0 HCADLO C[N@@H+](CCC1CCOCC1)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000466465866 1081190025 /nfs/dbraw/zinc/19/00/25/1081190025.db2.gz OCEOVAVLUVNERU-ROUUACIJSA-N 1 2 402.557 0.930 20 0 HCADLO C[N@H+](CCC1CCOCC1)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000466465866 1081190018 /nfs/dbraw/zinc/19/00/18/1081190018.db2.gz OCEOVAVLUVNERU-ROUUACIJSA-N 1 2 402.557 0.930 20 0 HCADLO C[N@@H+](CCC1CCOCC1)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000466465867 1081189878 /nfs/dbraw/zinc/18/98/78/1081189878.db2.gz OCEOVAVLUVNERU-ZWKOTPCHSA-N 1 2 402.557 0.930 20 0 HCADLO C[N@H+](CCC1CCOCC1)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000466465867 1081189868 /nfs/dbraw/zinc/18/98/68/1081189868.db2.gz OCEOVAVLUVNERU-ZWKOTPCHSA-N 1 2 402.557 0.930 20 0 HCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN(C)Cc3nnnn3C)CC2)cc1OC ZINC000466468643 1081195299 /nfs/dbraw/zinc/19/52/99/1081195299.db2.gz JDMNGPPMKMKALH-UHFFFAOYSA-N 1 2 417.514 0.312 20 0 HCADLO Cc1c(-c2cc(CN3C(=O)C(=O)N(CCC[NH+]4CCOCC4)C3=O)on2)cnn1C ZINC000466476626 1081209201 /nfs/dbraw/zinc/20/92/01/1081209201.db2.gz ZPECAJRZKQJMLA-UHFFFAOYSA-N 1 2 416.438 0.397 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466492349 1081220296 /nfs/dbraw/zinc/22/02/96/1081220296.db2.gz MVKQPHGWJSZDHM-MSOLQXFVSA-N 1 2 417.558 0.645 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466492350 1081220236 /nfs/dbraw/zinc/22/02/36/1081220236.db2.gz MVKQPHGWJSZDHM-QZTJIDSGSA-N 1 2 417.558 0.645 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466492351 1081219923 /nfs/dbraw/zinc/21/99/23/1081219923.db2.gz MVKQPHGWJSZDHM-ROUUACIJSA-N 1 2 417.558 0.645 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000466492352 1081219846 /nfs/dbraw/zinc/21/98/46/1081219846.db2.gz MVKQPHGWJSZDHM-ZWKOTPCHSA-N 1 2 417.558 0.645 20 0 HCADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCN(c3cccs3)CC2)CC1 ZINC000466492543 1081219974 /nfs/dbraw/zinc/21/99/74/1081219974.db2.gz OETNQSPJHZLPKJ-UHFFFAOYSA-N 1 2 407.584 0.929 20 0 HCADLO COC(=O)COc1ccc([C@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000466516663 1081237896 /nfs/dbraw/zinc/23/78/96/1081237896.db2.gz RWSYWOFDLMWPSU-HNNXBMFYSA-N 1 2 400.497 0.941 20 0 HCADLO COC(=O)COc1ccc([C@@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000466516664 1081237979 /nfs/dbraw/zinc/23/79/79/1081237979.db2.gz RWSYWOFDLMWPSU-OAHLLOKOSA-N 1 2 400.497 0.941 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCc2n[nH]cc21 ZINC000466992672 1077563405 /nfs/dbraw/zinc/56/34/05/1077563405.db2.gz ROYYBLSKLPVRNF-HNNXBMFYSA-N 1 2 418.523 0.493 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCc2n[nH]cc21 ZINC000466992673 1077563298 /nfs/dbraw/zinc/56/32/98/1077563298.db2.gz ROYYBLSKLPVRNF-OAHLLOKOSA-N 1 2 418.523 0.493 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)CC1 ZINC000467598978 1075860483 /nfs/dbraw/zinc/86/04/83/1075860483.db2.gz GWGGAERJBXZTCP-UHFFFAOYSA-N 1 2 401.471 0.515 20 0 HCADLO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000470450897 1077868456 /nfs/dbraw/zinc/86/84/56/1077868456.db2.gz COWDGOVWBCRKPC-CYBMUJFWSA-N 1 2 412.512 0.519 20 0 HCADLO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000470450897 1077868454 /nfs/dbraw/zinc/86/84/54/1077868454.db2.gz COWDGOVWBCRKPC-CYBMUJFWSA-N 1 2 412.512 0.519 20 0 HCADLO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000470450898 1077868438 /nfs/dbraw/zinc/86/84/38/1077868438.db2.gz COWDGOVWBCRKPC-ZDUSSCGKSA-N 1 2 412.512 0.519 20 0 HCADLO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000470450898 1077868431 /nfs/dbraw/zinc/86/84/31/1077868431.db2.gz COWDGOVWBCRKPC-ZDUSSCGKSA-N 1 2 412.512 0.519 20 0 HCADLO CSc1ccccc1C[N@@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000471014884 1079244883 /nfs/dbraw/zinc/24/48/83/1079244883.db2.gz PHMHJEAFTLDFBU-UHFFFAOYSA-N 1 2 420.579 0.843 20 0 HCADLO CSc1ccccc1C[N@H+](C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000471014884 1079244876 /nfs/dbraw/zinc/24/48/76/1079244876.db2.gz PHMHJEAFTLDFBU-UHFFFAOYSA-N 1 2 420.579 0.843 20 0 HCADLO Cc1cccc(CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000472810861 1079883601 /nfs/dbraw/zinc/88/36/01/1079883601.db2.gz NTAQUNLPBPMVBR-UHFFFAOYSA-N 1 2 410.478 0.470 20 0 HCADLO O=C(CCc1c[nH+]c[nH]1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000473275558 1080029389 /nfs/dbraw/zinc/02/93/89/1080029389.db2.gz HUHRHERMAVGGSK-UHFFFAOYSA-N 1 2 406.493 0.880 20 0 HCADLO O=C(CCc1c[nH]c[nH+]1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000473275558 1080029373 /nfs/dbraw/zinc/02/93/73/1080029373.db2.gz HUHRHERMAVGGSK-UHFFFAOYSA-N 1 2 406.493 0.880 20 0 HCADLO O=C(NCCCN1CCOCC1)c1ccc(C(=O)NCCC[NH+]2CCOCC2)o1 ZINC000473663018 1080068814 /nfs/dbraw/zinc/06/88/14/1080068814.db2.gz KDJPGRYMZARDKB-UHFFFAOYSA-N 1 2 408.499 0.184 20 0 HCADLO O=C(NCCN1CCSCC1)c1ccc(C(=O)NCC[NH+]2CCSCC2)o1 ZINC000473695870 1080072085 /nfs/dbraw/zinc/07/20/85/1080072085.db2.gz WFMMLQSQPQSVEC-UHFFFAOYSA-N 1 2 412.581 0.837 20 0 HCADLO O=C(NCCN1CCCOCC1)c1ccc(C(=O)NCC[N@H+]2CCCOCC2)o1 ZINC000473776463 1080085190 /nfs/dbraw/zinc/08/51/90/1080085190.db2.gz PRJITLUEEHNCFB-UHFFFAOYSA-N 1 2 408.499 0.184 20 0 HCADLO O=C(NCCN1CCCOCC1)c1ccc(C(=O)NCC[N@@H+]2CCCOCC2)o1 ZINC000473776463 1080085180 /nfs/dbraw/zinc/08/51/80/1080085180.db2.gz PRJITLUEEHNCFB-UHFFFAOYSA-N 1 2 408.499 0.184 20 0 HCADLO COCc1nc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc(OC)n1 ZINC000475352186 1080372680 /nfs/dbraw/zinc/37/26/80/1080372680.db2.gz CPHMVURRZVPSSR-UHFFFAOYSA-N 1 2 422.511 0.591 20 0 HCADLO COCc1nc(OC)cc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000475513143 1080384696 /nfs/dbraw/zinc/38/46/96/1080384696.db2.gz RCTKQFBCPCRBHZ-UHFFFAOYSA-N 1 2 401.471 0.585 20 0 HCADLO COCc1nc(OC)cc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000475513143 1080384688 /nfs/dbraw/zinc/38/46/88/1080384688.db2.gz RCTKQFBCPCRBHZ-UHFFFAOYSA-N 1 2 401.471 0.585 20 0 HCADLO CCc1cccc(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000477624585 1080598009 /nfs/dbraw/zinc/59/80/09/1080598009.db2.gz AUAMGZDMWYZNSK-UHFFFAOYSA-N 1 2 402.451 0.701 20 0 HCADLO O=C(CN1CCN(C(=O)C[N@H+]2CCOC3(C2)CCCCCC3)CC1)N1CCOCC1 ZINC000477838859 1080634331 /nfs/dbraw/zinc/63/43/31/1080634331.db2.gz VBAJTKNUOSCZAK-UHFFFAOYSA-N 1 2 422.570 0.415 20 0 HCADLO O=C(CN1CCN(C(=O)C[N@@H+]2CCOC3(C2)CCCCCC3)CC1)N1CCOCC1 ZINC000477838859 1080634327 /nfs/dbraw/zinc/63/43/27/1080634327.db2.gz VBAJTKNUOSCZAK-UHFFFAOYSA-N 1 2 422.570 0.415 20 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C[C@@](CO)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000481125042 1081246546 /nfs/dbraw/zinc/24/65/46/1081246546.db2.gz NDEQEZJZAYUQFF-KNQAVFIVSA-N 1 2 403.523 0.525 20 0 HCADLO C[C@](CO)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000481125044 1081246718 /nfs/dbraw/zinc/24/67/18/1081246718.db2.gz NDEQEZJZAYUQFF-SIKLNZKXSA-N 1 2 403.523 0.525 20 0 HCADLO C[C@@](CO)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000481125045 1081246493 /nfs/dbraw/zinc/24/64/93/1081246493.db2.gz NDEQEZJZAYUQFF-UGKGYDQZSA-N 1 2 403.523 0.525 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000489792049 1073537755 /nfs/dbraw/zinc/53/77/55/1073537755.db2.gz QIFRWCNVYXTENR-DOTOQJQBSA-N 1 2 414.514 0.503 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000489792049 1073537735 /nfs/dbraw/zinc/53/77/35/1073537735.db2.gz QIFRWCNVYXTENR-DOTOQJQBSA-N 1 2 414.514 0.503 20 0 HCADLO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000489792050 1073537700 /nfs/dbraw/zinc/53/77/00/1073537700.db2.gz QIFRWCNVYXTENR-NVXWUHKLSA-N 1 2 414.514 0.503 20 0 HCADLO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000489792050 1073537685 /nfs/dbraw/zinc/53/76/85/1073537685.db2.gz QIFRWCNVYXTENR-NVXWUHKLSA-N 1 2 414.514 0.503 20 0 HCADLO O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000489792051 1073537977 /nfs/dbraw/zinc/53/79/77/1073537977.db2.gz QIFRWCNVYXTENR-RDJZCZTQSA-N 1 2 414.514 0.503 20 0 HCADLO O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000489792051 1073537965 /nfs/dbraw/zinc/53/79/65/1073537965.db2.gz QIFRWCNVYXTENR-RDJZCZTQSA-N 1 2 414.514 0.503 20 0 HCADLO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000489792052 1073537865 /nfs/dbraw/zinc/53/78/65/1073537865.db2.gz QIFRWCNVYXTENR-WBVHZDCISA-N 1 2 414.514 0.503 20 0 HCADLO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000489792052 1073537854 /nfs/dbraw/zinc/53/78/54/1073537854.db2.gz QIFRWCNVYXTENR-WBVHZDCISA-N 1 2 414.514 0.503 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000489796032 1073539099 /nfs/dbraw/zinc/53/90/99/1073539099.db2.gz WGYJNQPNKJBEDQ-AWEZNQCLSA-N 1 2 402.542 0.497 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000489796032 1073539085 /nfs/dbraw/zinc/53/90/85/1073539085.db2.gz WGYJNQPNKJBEDQ-AWEZNQCLSA-N 1 2 402.542 0.497 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000489796033 1073539331 /nfs/dbraw/zinc/53/93/31/1073539331.db2.gz WGYJNQPNKJBEDQ-CQSZACIVSA-N 1 2 402.542 0.497 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000489796033 1073539318 /nfs/dbraw/zinc/53/93/18/1073539318.db2.gz WGYJNQPNKJBEDQ-CQSZACIVSA-N 1 2 402.542 0.497 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2nc3cc(OC)ccc3n2C)CC1 ZINC000489796774 1073539138 /nfs/dbraw/zinc/53/91/38/1073539138.db2.gz NOQULXAATHOUER-UHFFFAOYSA-N 1 2 403.483 0.379 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)cn1 ZINC000489804690 1073540325 /nfs/dbraw/zinc/54/03/25/1073540325.db2.gz WLYRORYOBBPPJT-UHFFFAOYSA-N 1 2 415.479 0.584 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CC1 ZINC000491211006 1074270574 /nfs/dbraw/zinc/27/05/74/1074270574.db2.gz BCXWVFDQIBJGBT-UHFFFAOYSA-N 1 2 402.495 0.960 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 ZINC000491211476 1074219919 /nfs/dbraw/zinc/21/99/19/1074219919.db2.gz DJZZBFOLSYHNIR-UHFFFAOYSA-N 1 2 420.535 0.605 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(N3C(=O)CCC3=O)c2)CC1 ZINC000491213711 1074417270 /nfs/dbraw/zinc/41/72/70/1074417270.db2.gz NXEFRKHCGVUEIV-UHFFFAOYSA-N 1 2 402.451 0.378 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000491213844 1074416004 /nfs/dbraw/zinc/41/60/04/1074416004.db2.gz PRJNIVVJIOIYGB-UHFFFAOYSA-N 1 2 402.451 0.065 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CSCC(=O)OC)c2)CC1 ZINC000491214013 1074419379 /nfs/dbraw/zinc/41/93/79/1074419379.db2.gz RPLFQUYOEANMNX-UHFFFAOYSA-N 1 2 409.508 0.822 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000491214186 1074414254 /nfs/dbraw/zinc/41/42/54/1074414254.db2.gz UKZZMVQPHWNHEE-UHFFFAOYSA-N 1 2 403.439 0.686 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)CC1 ZINC000491214250 1074415146 /nfs/dbraw/zinc/41/51/46/1074415146.db2.gz VIGZNWFYDUOQCC-UHFFFAOYSA-N 1 2 411.524 0.739 20 0 HCADLO COCCN1CCN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000491214499 1074415198 /nfs/dbraw/zinc/41/51/98/1074415198.db2.gz YBEIBAPQTXKEOR-KRWDZBQOSA-N 1 2 404.511 0.809 20 0 HCADLO COCCN1CCN(C(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000491214500 1074415097 /nfs/dbraw/zinc/41/50/97/1074415097.db2.gz YBEIBAPQTXKEOR-QGZVFWFLSA-N 1 2 404.511 0.809 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)CC1 ZINC000491223097 1074594009 /nfs/dbraw/zinc/59/40/09/1074594009.db2.gz LLCHTENGOQEOCO-UHFFFAOYSA-N 1 2 418.494 0.660 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 ZINC000491223264 1074591079 /nfs/dbraw/zinc/59/10/79/1074591079.db2.gz LSNHORQZARGHLU-UHFFFAOYSA-N 1 2 402.495 0.960 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)CC1 ZINC000491223783 1074597646 /nfs/dbraw/zinc/59/76/46/1074597646.db2.gz OYUFRAJLCWLIBF-UHFFFAOYSA-N 1 2 418.494 0.803 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000491224218 1074594303 /nfs/dbraw/zinc/59/43/03/1074594303.db2.gz QNAITQSZZXXYOV-UHFFFAOYSA-N 1 2 401.467 0.214 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC1 ZINC000491225424 1074596472 /nfs/dbraw/zinc/59/64/72/1074596472.db2.gz UTKVFTJAGWRCFS-UHFFFAOYSA-N 1 2 405.423 0.097 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)CC1 ZINC000491225917 1074625803 /nfs/dbraw/zinc/62/58/03/1074625803.db2.gz VSELGJRNULKXON-UHFFFAOYSA-N 1 2 418.494 0.197 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC1 ZINC000491226961 1074635382 /nfs/dbraw/zinc/63/53/82/1074635382.db2.gz YILJVNHGXHZDSW-UHFFFAOYSA-N 1 2 417.510 0.117 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)CC1 ZINC000491227003 1074628978 /nfs/dbraw/zinc/62/89/78/1074628978.db2.gz YSGGBDAZIYJRTJ-UHFFFAOYSA-N 1 2 410.902 0.906 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000491233538 1074731912 /nfs/dbraw/zinc/73/19/12/1074731912.db2.gz BINDGQACXMJZPG-UHFFFAOYSA-N 1 2 403.888 0.473 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC000491233571 1074730783 /nfs/dbraw/zinc/73/07/83/1074730783.db2.gz BVCPKRYJNFOLEX-UHFFFAOYSA-N 1 2 412.512 0.102 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)CC1 ZINC000491234512 1074739000 /nfs/dbraw/zinc/73/90/00/1074739000.db2.gz GOKIKYNXCAMCAV-UHFFFAOYSA-N 1 2 405.484 0.113 20 0 HCADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)cc1C ZINC000491236924 1074766729 /nfs/dbraw/zinc/76/67/29/1074766729.db2.gz PMBQDYXZEHPJHC-UHFFFAOYSA-N 1 2 412.512 0.486 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)CC1 ZINC000491237156 1074768596 /nfs/dbraw/zinc/76/85/96/1074768596.db2.gz QGYJJGGYVGIOKV-UHFFFAOYSA-N 1 2 404.467 0.551 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC000491237862 1074792439 /nfs/dbraw/zinc/79/24/39/1074792439.db2.gz SZKRILWRARASJL-UHFFFAOYSA-N 1 2 416.400 0.708 20 0 HCADLO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N3CC[NH+](CCOC)CC3)cc21 ZINC000491239372 1074800099 /nfs/dbraw/zinc/80/00/99/1074800099.db2.gz ZJMDSCQHAPCXBK-UHFFFAOYSA-N 1 2 403.483 0.508 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491246983 1074819586 /nfs/dbraw/zinc/81/95/86/1074819586.db2.gz MDIONSGLUDZYBW-UHFFFAOYSA-N 1 2 410.521 0.891 20 0 HCADLO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)cc1 ZINC000491247268 1075092466 /nfs/dbraw/zinc/09/24/66/1075092466.db2.gz ODBYAPCKRSAIBO-UHFFFAOYSA-N 1 2 412.512 0.567 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 ZINC000491247486 1075091835 /nfs/dbraw/zinc/09/18/35/1075091835.db2.gz PJKZAERXKCERQS-UHFFFAOYSA-N 1 2 418.494 0.417 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)CC1 ZINC000491247621 1074819518 /nfs/dbraw/zinc/81/95/18/1074819518.db2.gz PQTYLVPXRIDMRN-UHFFFAOYSA-N 1 2 402.495 0.960 20 0 HCADLO CCN(CC)C(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)cc1 ZINC000491247854 1074822848 /nfs/dbraw/zinc/82/28/48/1074822848.db2.gz RDTGKNHEXKQYGC-UHFFFAOYSA-N 1 2 404.511 0.827 20 0 HCADLO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000491248632 1074822783 /nfs/dbraw/zinc/82/27/83/1074822783.db2.gz JUQLXPAGIJVPCU-KRWDZBQOSA-N 1 2 416.478 0.567 20 0 HCADLO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000491248633 1074822844 /nfs/dbraw/zinc/82/28/44/1074822844.db2.gz JUQLXPAGIJVPCU-QGZVFWFLSA-N 1 2 416.478 0.567 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000491248824 1075093864 /nfs/dbraw/zinc/09/38/64/1075093864.db2.gz WBVVFUABBOSQLD-UHFFFAOYSA-N 1 2 402.451 0.065 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1 ZINC000491249102 1075092749 /nfs/dbraw/zinc/09/27/49/1075092749.db2.gz XBNYXGPKJXMQEI-UHFFFAOYSA-N 1 2 402.495 0.928 20 0 HCADLO CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000491257415 1075341880 /nfs/dbraw/zinc/34/18/80/1075341880.db2.gz BFMBRUIYRZJGMR-UHFFFAOYSA-N 1 2 420.510 0.663 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1 ZINC000491260895 1075361408 /nfs/dbraw/zinc/36/14/08/1075361408.db2.gz WZWOXFRMNXBPRI-UHFFFAOYSA-N 1 2 418.494 0.941 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC1 ZINC000491269238 1075392511 /nfs/dbraw/zinc/39/25/11/1075392511.db2.gz BBUOPMLQMIXDAI-UHFFFAOYSA-N 1 2 404.467 0.551 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)CC1 ZINC000491270827 1075414958 /nfs/dbraw/zinc/41/49/58/1075414958.db2.gz KBLOBUHTGWIZBZ-UHFFFAOYSA-N 1 2 424.523 0.264 20 0 HCADLO O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cnn(CC(F)F)c1 ZINC000491283772 1075511022 /nfs/dbraw/zinc/51/10/22/1075511022.db2.gz MVSWVYKWGSXWLN-UHFFFAOYSA-N 1 2 415.470 0.429 20 0 HCADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)CC1 ZINC000491286388 1075549331 /nfs/dbraw/zinc/54/93/31/1075549331.db2.gz VWFPVJRCLLYXSC-UHFFFAOYSA-N 1 2 401.485 0.201 20 0 HCADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000491296696 1075736552 /nfs/dbraw/zinc/73/65/52/1075736552.db2.gz RVCIAFPEAZDSOO-OLZOCXBDSA-N 1 2 409.493 0.787 20 0 HCADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000491296696 1075736548 /nfs/dbraw/zinc/73/65/48/1075736548.db2.gz RVCIAFPEAZDSOO-OLZOCXBDSA-N 1 2 409.493 0.787 20 0 HCADLO O=C(Cn1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cn1)NC1CCCC1 ZINC000491511899 1077240306 /nfs/dbraw/zinc/24/03/06/1077240306.db2.gz JXOKRYVYNBRPBV-UHFFFAOYSA-N 1 2 409.450 0.845 20 0 HCADLO O=C(Cn1cc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cn1)NC1CCCC1 ZINC000491542713 1077243869 /nfs/dbraw/zinc/24/38/69/1077243869.db2.gz FFLOGDNPSLLEEM-UHFFFAOYSA-N 1 2 413.482 0.941 20 0 HCADLO Cc1ncc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000491550856 1077244917 /nfs/dbraw/zinc/24/49/17/1077244917.db2.gz LTKPIJFFJJXPDE-UHFFFAOYSA-N 1 2 405.484 0.454 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nc(-c3nccn3C)cs2)CC1 ZINC000491571665 1077249400 /nfs/dbraw/zinc/24/94/00/1077249400.db2.gz GRCGMTMZQFWMDL-GFCCVEGCSA-N 1 2 420.495 0.578 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nc(-c3nccn3C)cs2)CC1 ZINC000491571666 1077249436 /nfs/dbraw/zinc/24/94/36/1077249436.db2.gz GRCGMTMZQFWMDL-LBPRGKRZSA-N 1 2 420.495 0.578 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000491572819 1077249897 /nfs/dbraw/zinc/24/98/97/1077249897.db2.gz PDQXBNUTLWHRJI-UHFFFAOYSA-N 1 2 417.553 0.470 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000491573087 1077250304 /nfs/dbraw/zinc/25/03/04/1077250304.db2.gz QQEDQEUNOPASJU-AWEZNQCLSA-N 1 2 400.439 0.302 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000491573088 1077250446 /nfs/dbraw/zinc/25/04/46/1077250446.db2.gz QQEDQEUNOPASJU-CQSZACIVSA-N 1 2 400.439 0.302 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000491577900 1077251101 /nfs/dbraw/zinc/25/11/01/1077251101.db2.gz BCSLVBBDACAGGX-UHFFFAOYSA-N 1 2 420.514 0.061 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000491579160 1077246139 /nfs/dbraw/zinc/24/61/39/1077246139.db2.gz NTSYJWFLKKZQPG-HNNXBMFYSA-N 1 2 417.553 0.328 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000491579161 1077245978 /nfs/dbraw/zinc/24/59/78/1077245978.db2.gz NTSYJWFLKKZQPG-OAHLLOKOSA-N 1 2 417.553 0.328 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000491579537 1077246179 /nfs/dbraw/zinc/24/61/79/1077246179.db2.gz RNWWXGGLLBWZCG-UHFFFAOYSA-N 1 2 405.542 0.062 20 0 HCADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000491583861 1077247208 /nfs/dbraw/zinc/24/72/08/1077247208.db2.gz NUEKWMHMOWYQFH-YOEHRIQHSA-N 1 2 405.480 0.036 20 0 HCADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000491583861 1077247202 /nfs/dbraw/zinc/24/72/02/1077247202.db2.gz NUEKWMHMOWYQFH-YOEHRIQHSA-N 1 2 405.480 0.036 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000491588611 1077256962 /nfs/dbraw/zinc/25/69/62/1077256962.db2.gz JXRKQERMPQGJFV-HNNXBMFYSA-N 1 2 417.553 0.328 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000491588612 1077257059 /nfs/dbraw/zinc/25/70/59/1077257059.db2.gz JXRKQERMPQGJFV-OAHLLOKOSA-N 1 2 417.553 0.328 20 0 HCADLO COc1cc(OC)c(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c(OC)c1 ZINC000491589122 1077257367 /nfs/dbraw/zinc/25/73/67/1077257367.db2.gz OAVVKOWELREAOF-UHFFFAOYSA-N 1 2 415.512 0.497 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000491593853 1077252337 /nfs/dbraw/zinc/25/23/37/1077252337.db2.gz KAYCNVJHMKDHIE-HNNXBMFYSA-N 1 2 418.585 0.147 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000491593854 1077252197 /nfs/dbraw/zinc/25/21/97/1077252197.db2.gz KAYCNVJHMKDHIE-OAHLLOKOSA-N 1 2 418.585 0.147 20 0 HCADLO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(OC)c1 ZINC000491595397 1077252854 /nfs/dbraw/zinc/25/28/54/1077252854.db2.gz ZRUMSMXLHVWDRA-AWEZNQCLSA-N 1 2 401.529 0.874 20 0 HCADLO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(OC)c1 ZINC000491595398 1077252984 /nfs/dbraw/zinc/25/29/84/1077252984.db2.gz ZRUMSMXLHVWDRA-CQSZACIVSA-N 1 2 401.529 0.874 20 0 HCADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)CCCn1cc[nH+]c1)CC2 ZINC000491598781 1077253694 /nfs/dbraw/zinc/25/36/94/1077253694.db2.gz KMYVJGIYIGBQMM-UHFFFAOYSA-N 1 2 419.507 0.619 20 0 HCADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000491599346 1077254085 /nfs/dbraw/zinc/25/40/85/1077254085.db2.gz QJURLIHLMAFJMF-UHFFFAOYSA-N 1 2 423.495 0.295 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000491606304 1077255933 /nfs/dbraw/zinc/25/59/33/1077255933.db2.gz DOASYQOUNKAGIK-UHFFFAOYSA-N 1 2 411.459 0.760 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@H+]3CCc4cc[nH]c(=O)c4C3)C2=O)c1 ZINC000491607303 1077256552 /nfs/dbraw/zinc/25/65/52/1077256552.db2.gz NKROYZKKHCPGIR-HNNXBMFYSA-N 1 2 402.432 0.125 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@@H+]3CCc4cc[nH]c(=O)c4C3)C2=O)c1 ZINC000491607303 1077256546 /nfs/dbraw/zinc/25/65/46/1077256546.db2.gz NKROYZKKHCPGIR-HNNXBMFYSA-N 1 2 402.432 0.125 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([N@H+]3CCc4cc[nH]c(=O)c4C3)C2=O)c1 ZINC000491607304 1077256603 /nfs/dbraw/zinc/25/66/03/1077256603.db2.gz NKROYZKKHCPGIR-OAHLLOKOSA-N 1 2 402.432 0.125 20 0 HCADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([N@@H+]3CCc4cc[nH]c(=O)c4C3)C2=O)c1 ZINC000491607304 1077256598 /nfs/dbraw/zinc/25/65/98/1077256598.db2.gz NKROYZKKHCPGIR-OAHLLOKOSA-N 1 2 402.432 0.125 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000491608504 1077256523 /nfs/dbraw/zinc/25/65/23/1077256523.db2.gz YEYHRVAMPZNFQK-AWEZNQCLSA-N 1 2 410.521 0.937 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000491608505 1077256667 /nfs/dbraw/zinc/25/66/67/1077256667.db2.gz YEYHRVAMPZNFQK-CQSZACIVSA-N 1 2 410.521 0.937 20 0 HCADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000491609872 1077259672 /nfs/dbraw/zinc/25/96/72/1077259672.db2.gz LKIFMDWAJOXSBT-UHFFFAOYSA-N 1 2 419.507 0.688 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000491719537 1077262972 /nfs/dbraw/zinc/26/29/72/1077262972.db2.gz ILIVVDAZIGGQNX-AWEZNQCLSA-N 1 2 405.542 0.231 20 0 HCADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000491719538 1077262791 /nfs/dbraw/zinc/26/27/91/1077262791.db2.gz ILIVVDAZIGGQNX-CQSZACIVSA-N 1 2 405.542 0.231 20 0 HCADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccc(O)c1 ZINC000491791418 1077264178 /nfs/dbraw/zinc/26/41/78/1077264178.db2.gz ZTNCKFAZDPYUOO-HNNXBMFYSA-N 1 2 411.528 0.273 20 0 HCADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 ZINC000491820154 1077264577 /nfs/dbraw/zinc/26/45/77/1077264577.db2.gz ICLPOJPQRWIIDZ-BFYDXBDKSA-N 1 2 406.512 0.925 20 0 HCADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@H](C)O1 ZINC000491820155 1077264730 /nfs/dbraw/zinc/26/47/30/1077264730.db2.gz ICLPOJPQRWIIDZ-HLLBOEOZSA-N 1 2 406.512 0.925 20 0 HCADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@H](C)O1 ZINC000491820155 1077264721 /nfs/dbraw/zinc/26/47/21/1077264721.db2.gz ICLPOJPQRWIIDZ-HLLBOEOZSA-N 1 2 406.512 0.925 20 0 HCADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000491823152 1077264748 /nfs/dbraw/zinc/26/47/48/1077264748.db2.gz ZRHSKCANAOQQKC-UHFFFAOYSA-N 1 2 423.470 0.950 20 0 HCADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000491829728 1077265390 /nfs/dbraw/zinc/26/53/90/1077265390.db2.gz ANWAYNMQDNGRGS-UHFFFAOYSA-N 1 2 401.471 0.626 20 0 HCADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000491830682 1077265347 /nfs/dbraw/zinc/26/53/47/1077265347.db2.gz FJNHHGBBGISYOU-UHFFFAOYSA-N 1 2 423.495 0.629 20 0 HCADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000491834158 1077265834 /nfs/dbraw/zinc/26/58/34/1077265834.db2.gz XNRDMXPVACMZIM-UHFFFAOYSA-N 1 2 405.480 0.910 20 0 HCADLO O=C(NCCNS(=O)(=O)c1cccnc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491836404 1077266034 /nfs/dbraw/zinc/26/60/34/1077266034.db2.gz BHUIEIKOTRPQAJ-UHFFFAOYSA-N 1 2 401.452 0.821 20 0 HCADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)CCCn1cc[nH+]c1)CC2 ZINC000491864825 1077268467 /nfs/dbraw/zinc/26/84/67/1077268467.db2.gz GHMCRNLBWSCFFB-UHFFFAOYSA-N 1 2 405.480 0.229 20 0 HCADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491876738 1077267875 /nfs/dbraw/zinc/26/78/75/1077267875.db2.gz ULCGKBWMHBWKFX-INIZCTEOSA-N 1 2 422.511 0.936 20 0 HCADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491876739 1077268025 /nfs/dbraw/zinc/26/80/25/1077268025.db2.gz ULCGKBWMHBWKFX-MRXNPFEDSA-N 1 2 422.511 0.936 20 0 HCADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1C(=O)OC ZINC000491917145 1077270741 /nfs/dbraw/zinc/27/07/41/1077270741.db2.gz VVTSUBZXXBXHQV-UHFFFAOYSA-N 1 2 402.407 0.944 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCOC4(CCOCC4)C3)c2)CC1 ZINC000491936307 1077270881 /nfs/dbraw/zinc/27/08/81/1077270881.db2.gz QSJCHQQWYYKRDO-UHFFFAOYSA-N 1 2 416.522 0.781 20 0 HCADLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000491941993 1077271546 /nfs/dbraw/zinc/27/15/46/1077271546.db2.gz RFDISVJUIAAXJT-INIZCTEOSA-N 1 2 410.540 0.860 20 0 HCADLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000491941993 1077271537 /nfs/dbraw/zinc/27/15/37/1077271537.db2.gz RFDISVJUIAAXJT-INIZCTEOSA-N 1 2 410.540 0.860 20 0 HCADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000491943948 1077271993 /nfs/dbraw/zinc/27/19/93/1077271993.db2.gz XXJNFMLUFPGVSQ-OAHLLOKOSA-N 1 2 407.500 0.719 20 0 HCADLO O=C(CN1CCOCC1)N1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000491954188 1077272281 /nfs/dbraw/zinc/27/22/81/1077272281.db2.gz CYNNENXXMBQUMP-UHFFFAOYSA-N 1 2 413.482 0.335 20 0 HCADLO NC(=O)CNC(=O)c1ccc(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000491961281 1077273017 /nfs/dbraw/zinc/27/30/17/1077273017.db2.gz SMFXOXXTWIUAIZ-UHFFFAOYSA-N 1 2 407.434 0.863 20 0 HCADLO O=C(CN1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1)N1CCOCC1 ZINC000491962535 1077273416 /nfs/dbraw/zinc/27/34/16/1077273416.db2.gz WAKYAFHFAVRWLB-UHFFFAOYSA-N 1 2 413.482 0.335 20 0 HCADLO CCC(CC)(NC(=O)C1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1)C(N)=O ZINC000491974973 1077273237 /nfs/dbraw/zinc/27/32/37/1077273237.db2.gz CXNBFXCFNDGEMO-UHFFFAOYSA-N 1 2 413.482 0.950 20 0 HCADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000491979827 1077272841 /nfs/dbraw/zinc/27/28/41/1077272841.db2.gz LVOUNLXUYAAFNS-UHFFFAOYSA-N 1 2 408.480 0.790 20 0 HCADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000491981372 1077272910 /nfs/dbraw/zinc/27/29/10/1077272910.db2.gz PIHFTORAWRPKBY-UHFFFAOYSA-N 1 2 419.507 0.605 20 0 HCADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000491982797 1077273040 /nfs/dbraw/zinc/27/30/40/1077273040.db2.gz SMBCOXBUUIIAKO-AWEZNQCLSA-N 1 2 410.521 0.961 20 0 HCADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000491982799 1077272941 /nfs/dbraw/zinc/27/29/41/1077272941.db2.gz SMBCOXBUUIIAKO-CQSZACIVSA-N 1 2 410.521 0.961 20 0 HCADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000491983912 1077272997 /nfs/dbraw/zinc/27/29/97/1077272997.db2.gz WZGAVPKUFFVFRH-GFCCVEGCSA-N 1 2 418.566 0.720 20 0 HCADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000491983913 1077273317 /nfs/dbraw/zinc/27/33/17/1077273317.db2.gz WZGAVPKUFFVFRH-LBPRGKRZSA-N 1 2 418.566 0.720 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCSCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492020614 1077274269 /nfs/dbraw/zinc/27/42/69/1077274269.db2.gz KDVVNBQRRGWINN-UHFFFAOYSA-N 1 2 410.525 0.827 20 0 HCADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000492022779 1077274780 /nfs/dbraw/zinc/27/47/80/1077274780.db2.gz JTNYSLYBDMGEAC-AWEZNQCLSA-N 1 2 410.521 0.961 20 0 HCADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000492022780 1077274761 /nfs/dbraw/zinc/27/47/61/1077274761.db2.gz JTNYSLYBDMGEAC-CQSZACIVSA-N 1 2 410.521 0.961 20 0 HCADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000492025148 1077274715 /nfs/dbraw/zinc/27/47/15/1077274715.db2.gz ZLAWMFAATZLBHT-HNNXBMFYSA-N 1 2 402.561 0.601 20 0 HCADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000492025148 1077274706 /nfs/dbraw/zinc/27/47/06/1077274706.db2.gz ZLAWMFAATZLBHT-HNNXBMFYSA-N 1 2 402.561 0.601 20 0 HCADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000492025152 1077274631 /nfs/dbraw/zinc/27/46/31/1077274631.db2.gz ZLAWMFAATZLBHT-OAHLLOKOSA-N 1 2 402.561 0.601 20 0 HCADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000492025152 1077274624 /nfs/dbraw/zinc/27/46/24/1077274624.db2.gz ZLAWMFAATZLBHT-OAHLLOKOSA-N 1 2 402.561 0.601 20 0 HCADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000492061680 1077276547 /nfs/dbraw/zinc/27/65/47/1077276547.db2.gz LMIVVPHRNGTYRA-UHFFFAOYSA-N 1 2 413.478 0.772 20 0 HCADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000492062995 1077276561 /nfs/dbraw/zinc/27/65/61/1077276561.db2.gz ODORZSPIJBPYRE-UHFFFAOYSA-N 1 2 401.423 0.273 20 0 HCADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000492065968 1077276494 /nfs/dbraw/zinc/27/64/94/1077276494.db2.gz UZTPPAWOQFULAL-UHFFFAOYSA-N 1 2 405.480 0.910 20 0 HCADLO Cc1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1S(=O)(=O)N(C)C ZINC000492067769 1077276581 /nfs/dbraw/zinc/27/65/81/1077276581.db2.gz XXMAMNNVFZQBJW-UHFFFAOYSA-N 1 2 407.496 0.929 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N(C)CCC(N)=O)cc2)CC1 ZINC000492067882 1077276615 /nfs/dbraw/zinc/27/66/15/1077276615.db2.gz MXHUSYJTEXCFCF-UHFFFAOYSA-N 1 2 419.526 0.289 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N(C)[C@H](C)CO)cc2)CC1 ZINC000492071762 1077276774 /nfs/dbraw/zinc/27/67/74/1077276774.db2.gz VIRBXGGVKUUVNM-QGZVFWFLSA-N 1 2 406.527 0.794 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000492076322 1077277100 /nfs/dbraw/zinc/27/71/00/1077277100.db2.gz WAPQUEWVMQUOIT-KRWDZBQOSA-N 1 2 421.523 0.619 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000492076323 1077277057 /nfs/dbraw/zinc/27/70/57/1077277057.db2.gz WAPQUEWVMQUOIT-QGZVFWFLSA-N 1 2 421.523 0.619 20 0 HCADLO COCCCS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492081476 1077276728 /nfs/dbraw/zinc/27/67/28/1077276728.db2.gz PNFSMNCAFNXOTA-UHFFFAOYSA-N 1 2 422.511 0.842 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cn2)CC1 ZINC000492100342 1077277593 /nfs/dbraw/zinc/27/75/93/1077277593.db2.gz KEIJXCWRHFMROC-UHFFFAOYSA-N 1 2 409.918 0.754 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cn2)CC1 ZINC000492100342 1077277587 /nfs/dbraw/zinc/27/75/87/1077277587.db2.gz KEIJXCWRHFMROC-UHFFFAOYSA-N 1 2 409.918 0.754 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2ccc(Cl)cn2)CC1 ZINC000492101953 1077277668 /nfs/dbraw/zinc/27/76/68/1077277668.db2.gz XCHBPVXJXCNLPM-UHFFFAOYSA-N 1 2 414.857 0.377 20 0 HCADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000492153676 1077279220 /nfs/dbraw/zinc/27/92/20/1077279220.db2.gz QVDOOEAUOLPZHZ-ZDUSSCGKSA-N 1 2 401.916 0.493 20 0 HCADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000492192396 1077280681 /nfs/dbraw/zinc/28/06/81/1077280681.db2.gz GDAQPMOFRMRONJ-BQFCYCMXSA-N 1 2 420.510 0.643 20 0 HCADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000492192396 1077280673 /nfs/dbraw/zinc/28/06/73/1077280673.db2.gz GDAQPMOFRMRONJ-BQFCYCMXSA-N 1 2 420.510 0.643 20 0 HCADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000492192397 1077280863 /nfs/dbraw/zinc/28/08/63/1077280863.db2.gz GDAQPMOFRMRONJ-RYRKJORJSA-N 1 2 420.510 0.643 20 0 HCADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000492192397 1077280856 /nfs/dbraw/zinc/28/08/56/1077280856.db2.gz GDAQPMOFRMRONJ-RYRKJORJSA-N 1 2 420.510 0.643 20 0 HCADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000492192398 1077280644 /nfs/dbraw/zinc/28/06/44/1077280644.db2.gz GDAQPMOFRMRONJ-SOLBZPMBSA-N 1 2 420.510 0.643 20 0 HCADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000492192398 1077280636 /nfs/dbraw/zinc/28/06/36/1077280636.db2.gz GDAQPMOFRMRONJ-SOLBZPMBSA-N 1 2 420.510 0.643 20 0 HCADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000492192399 1077280777 /nfs/dbraw/zinc/28/07/77/1077280777.db2.gz GDAQPMOFRMRONJ-XYJFISCASA-N 1 2 420.510 0.643 20 0 HCADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000492192399 1077280773 /nfs/dbraw/zinc/28/07/73/1077280773.db2.gz GDAQPMOFRMRONJ-XYJFISCASA-N 1 2 420.510 0.643 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1C(=O)NCC(F)(F)F ZINC000492196035 1077281468 /nfs/dbraw/zinc/28/14/68/1077281468.db2.gz YACXSYGGAZDTBS-JTQLQIEISA-N 1 2 405.402 0.807 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1C(=O)NCC(F)(F)F ZINC000492196036 1077281540 /nfs/dbraw/zinc/28/15/40/1077281540.db2.gz YACXSYGGAZDTBS-SNVBAGLBSA-N 1 2 405.402 0.807 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000492223067 1077282993 /nfs/dbraw/zinc/28/29/93/1077282993.db2.gz GSBQHOJTMNKXCG-ADLMAVQZSA-N 1 2 419.463 0.240 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000492223068 1077283137 /nfs/dbraw/zinc/28/31/37/1077283137.db2.gz GSBQHOJTMNKXCG-BBATYDOGSA-N 1 2 419.463 0.240 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000492223069 1077283029 /nfs/dbraw/zinc/28/30/29/1077283029.db2.gz GSBQHOJTMNKXCG-VOJFVSQTSA-N 1 2 419.463 0.240 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000492223070 1077283007 /nfs/dbraw/zinc/28/30/07/1077283007.db2.gz GSBQHOJTMNKXCG-ZMZPIMSZSA-N 1 2 419.463 0.240 20 0 HCADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000492224218 1077283331 /nfs/dbraw/zinc/28/33/31/1077283331.db2.gz MMHGACVRALATPG-UHFFFAOYSA-N 1 2 411.466 0.625 20 0 HCADLO O=C(NCCNS(=O)(=O)Cc1ccon1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492236709 1077283686 /nfs/dbraw/zinc/28/36/86/1077283686.db2.gz KLADHPSHWGCKNJ-UHFFFAOYSA-N 1 2 405.440 0.556 20 0 HCADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000492236931 1077283647 /nfs/dbraw/zinc/28/36/47/1077283647.db2.gz NTNPFWUHGLLOIT-CYBMUJFWSA-N 1 2 402.524 0.926 20 0 HCADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000492236932 1077283579 /nfs/dbraw/zinc/28/35/79/1077283579.db2.gz NTNPFWUHGLLOIT-ZDUSSCGKSA-N 1 2 402.524 0.926 20 0 HCADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000492251461 1077284664 /nfs/dbraw/zinc/28/46/64/1077284664.db2.gz HXQQERIRFKVOIC-KBPBESRZSA-N 1 2 402.524 0.926 20 0 HCADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000492251462 1077284573 /nfs/dbraw/zinc/28/45/73/1077284573.db2.gz HXQQERIRFKVOIC-KGLIPLIRSA-N 1 2 402.524 0.926 20 0 HCADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000492251463 1077284747 /nfs/dbraw/zinc/28/47/47/1077284747.db2.gz HXQQERIRFKVOIC-UONOGXRCSA-N 1 2 402.524 0.926 20 0 HCADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000492251464 1077284737 /nfs/dbraw/zinc/28/47/37/1077284737.db2.gz HXQQERIRFKVOIC-ZIAGYGMSSA-N 1 2 402.524 0.926 20 0 HCADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000492259270 1077283944 /nfs/dbraw/zinc/28/39/44/1077283944.db2.gz PCVCOQACRAQBCO-CYBMUJFWSA-N 1 2 414.509 0.947 20 0 HCADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000492259271 1077283872 /nfs/dbraw/zinc/28/38/72/1077283872.db2.gz PCVCOQACRAQBCO-ZDUSSCGKSA-N 1 2 414.509 0.947 20 0 HCADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000492293782 1077286104 /nfs/dbraw/zinc/28/61/04/1077286104.db2.gz QPKDNNBGQGGSDJ-UHFFFAOYSA-N 1 2 411.510 0.475 20 0 HCADLO CN(CCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1ccc(F)cc1 ZINC000492295095 1077285982 /nfs/dbraw/zinc/28/59/82/1077285982.db2.gz OWMSWOLPUQWFKU-AWEZNQCLSA-N 1 2 416.500 0.577 20 0 HCADLO CN(CCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1ccc(F)cc1 ZINC000492295096 1077286051 /nfs/dbraw/zinc/28/60/51/1077286051.db2.gz OWMSWOLPUQWFKU-CQSZACIVSA-N 1 2 416.500 0.577 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(OC)cn2)CC1 ZINC000492308183 1077286962 /nfs/dbraw/zinc/28/69/62/1077286962.db2.gz KQSQNAWXQNCQKK-UHFFFAOYSA-N 1 2 405.499 0.109 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(OC)cn2)CC1 ZINC000492308183 1077286955 /nfs/dbraw/zinc/28/69/55/1077286955.db2.gz KQSQNAWXQNCQKK-UHFFFAOYSA-N 1 2 405.499 0.109 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492327995 1077287519 /nfs/dbraw/zinc/28/75/19/1077287519.db2.gz GYWYCXUMCMPURZ-UHFFFAOYSA-N 1 2 401.471 0.239 20 0 HCADLO CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492351873 1077288706 /nfs/dbraw/zinc/28/87/06/1077288706.db2.gz NSERVLAFZXVGEF-UHFFFAOYSA-N 1 2 407.500 0.719 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000492354862 1077289136 /nfs/dbraw/zinc/28/91/36/1077289136.db2.gz WKGJXHHADWIRDX-NWDGAFQWSA-N 1 2 409.430 0.819 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000492354862 1077289132 /nfs/dbraw/zinc/28/91/32/1077289132.db2.gz WKGJXHHADWIRDX-NWDGAFQWSA-N 1 2 409.430 0.819 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000492354863 1077289226 /nfs/dbraw/zinc/28/92/26/1077289226.db2.gz WKGJXHHADWIRDX-RYUDHWBXSA-N 1 2 409.430 0.819 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000492354863 1077289221 /nfs/dbraw/zinc/28/92/21/1077289221.db2.gz WKGJXHHADWIRDX-RYUDHWBXSA-N 1 2 409.430 0.819 20 0 HCADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000492399678 1077290923 /nfs/dbraw/zinc/29/09/23/1077290923.db2.gz PYWMDTJXMIPQMQ-AWEZNQCLSA-N 1 2 410.521 0.961 20 0 HCADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000492399679 1077290830 /nfs/dbraw/zinc/29/08/30/1077290830.db2.gz PYWMDTJXMIPQMQ-CQSZACIVSA-N 1 2 410.521 0.961 20 0 HCADLO Cn1c(N)c(C(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(=O)n(C)c1=O ZINC000492441191 1077292748 /nfs/dbraw/zinc/29/27/48/1077292748.db2.gz DEWVFXGYGAXPOT-UHFFFAOYSA-N 1 2 414.388 0.401 20 0 HCADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000492446009 1077292858 /nfs/dbraw/zinc/29/28/58/1077292858.db2.gz WARKICMMCFFARL-KRWDZBQOSA-N 1 2 417.491 0.837 20 0 HCADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000492446013 1077292932 /nfs/dbraw/zinc/29/29/32/1077292932.db2.gz WARKICMMCFFARL-QGZVFWFLSA-N 1 2 417.491 0.837 20 0 HCADLO Cc1nnc(CN(C)CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1C ZINC000492448583 1077292956 /nfs/dbraw/zinc/29/29/56/1077292956.db2.gz TYODLSZMWSWMBB-UHFFFAOYSA-N 1 2 413.526 0.775 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000492574144 1077298728 /nfs/dbraw/zinc/29/87/28/1077298728.db2.gz VCKIHXQSBADWER-FXAWDEMLSA-N 1 2 403.483 0.324 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000492574151 1077298805 /nfs/dbraw/zinc/29/88/05/1077298805.db2.gz VCKIHXQSBADWER-PXNSSMCTSA-N 1 2 403.483 0.324 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000492574154 1077298769 /nfs/dbraw/zinc/29/87/69/1077298769.db2.gz VCKIHXQSBADWER-XLIONFOSSA-N 1 2 403.483 0.324 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000492574155 1077298882 /nfs/dbraw/zinc/29/88/82/1077298882.db2.gz VCKIHXQSBADWER-YLJYHZDGSA-N 1 2 403.483 0.324 20 0 HCADLO O=C(CN1CCCCC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492601109 1077300932 /nfs/dbraw/zinc/30/09/32/1077300932.db2.gz JXZBDHPBCIQLQE-INIZCTEOSA-N 1 2 402.499 0.411 20 0 HCADLO O=C(CN1CCCCC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492601109 1077300928 /nfs/dbraw/zinc/30/09/28/1077300928.db2.gz JXZBDHPBCIQLQE-INIZCTEOSA-N 1 2 402.499 0.411 20 0 HCADLO O=C(CN1CCCCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492601110 1077300948 /nfs/dbraw/zinc/30/09/48/1077300948.db2.gz JXZBDHPBCIQLQE-MRXNPFEDSA-N 1 2 402.499 0.411 20 0 HCADLO O=C(CN1CCCCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492601110 1077300945 /nfs/dbraw/zinc/30/09/45/1077300945.db2.gz JXZBDHPBCIQLQE-MRXNPFEDSA-N 1 2 402.499 0.411 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000492604764 1077301160 /nfs/dbraw/zinc/30/11/60/1077301160.db2.gz YFQKTBRMUFUANK-GOSISDBHSA-N 1 2 401.555 0.968 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000492604765 1077301271 /nfs/dbraw/zinc/30/12/71/1077301271.db2.gz YFQKTBRMUFUANK-SFHVURJKSA-N 1 2 401.555 0.968 20 0 HCADLO O=C(CCOC[C@@H]1CCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492626451 1077302565 /nfs/dbraw/zinc/30/25/65/1077302565.db2.gz HZASUIQGLLLSQK-MSOLQXFVSA-N 1 2 419.526 0.984 20 0 HCADLO O=C(CCOC[C@@H]1CCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492626451 1077302561 /nfs/dbraw/zinc/30/25/61/1077302561.db2.gz HZASUIQGLLLSQK-MSOLQXFVSA-N 1 2 419.526 0.984 20 0 HCADLO O=C(CCOC[C@H]1CCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492626453 1077302544 /nfs/dbraw/zinc/30/25/44/1077302544.db2.gz HZASUIQGLLLSQK-QZTJIDSGSA-N 1 2 419.526 0.984 20 0 HCADLO O=C(CCOC[C@H]1CCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492626453 1077302539 /nfs/dbraw/zinc/30/25/39/1077302539.db2.gz HZASUIQGLLLSQK-QZTJIDSGSA-N 1 2 419.526 0.984 20 0 HCADLO O=C(CCOC[C@@H]1CCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492626455 1077302635 /nfs/dbraw/zinc/30/26/35/1077302635.db2.gz HZASUIQGLLLSQK-ROUUACIJSA-N 1 2 419.526 0.984 20 0 HCADLO O=C(CCOC[C@@H]1CCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492626455 1077302631 /nfs/dbraw/zinc/30/26/31/1077302631.db2.gz HZASUIQGLLLSQK-ROUUACIJSA-N 1 2 419.526 0.984 20 0 HCADLO O=C(CCOC[C@H]1CCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492626456 1077302586 /nfs/dbraw/zinc/30/25/86/1077302586.db2.gz HZASUIQGLLLSQK-ZWKOTPCHSA-N 1 2 419.526 0.984 20 0 HCADLO O=C(CCOC[C@H]1CCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492626456 1077302583 /nfs/dbraw/zinc/30/25/83/1077302583.db2.gz HZASUIQGLLLSQK-ZWKOTPCHSA-N 1 2 419.526 0.984 20 0 HCADLO NC(=O)NCCCCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492626545 1077304030 /nfs/dbraw/zinc/30/40/30/1077304030.db2.gz IWRXWMDPLLACCS-INIZCTEOSA-N 1 2 419.530 0.627 20 0 HCADLO NC(=O)NCCCCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492626545 1077304028 /nfs/dbraw/zinc/30/40/28/1077304028.db2.gz IWRXWMDPLLACCS-INIZCTEOSA-N 1 2 419.530 0.627 20 0 HCADLO NC(=O)NCCCCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492626546 1077304002 /nfs/dbraw/zinc/30/40/02/1077304002.db2.gz IWRXWMDPLLACCS-MRXNPFEDSA-N 1 2 419.530 0.627 20 0 HCADLO NC(=O)NCCCCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492626546 1077303999 /nfs/dbraw/zinc/30/39/99/1077303999.db2.gz IWRXWMDPLLACCS-MRXNPFEDSA-N 1 2 419.530 0.627 20 0 HCADLO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[NH+]3CCN(C)CC3)CC2)c1 ZINC000492627774 1077302595 /nfs/dbraw/zinc/30/25/95/1077302595.db2.gz LDFGSFWQQKATNR-GOSISDBHSA-N 1 2 408.568 0.772 20 0 HCADLO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)CC2)c1 ZINC000492627778 1077302506 /nfs/dbraw/zinc/30/25/06/1077302506.db2.gz LDFGSFWQQKATNR-SFHVURJKSA-N 1 2 408.568 0.772 20 0 HCADLO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492630784 1077302956 /nfs/dbraw/zinc/30/29/56/1077302956.db2.gz QVOIPKHSJZYOMF-CVEARBPZSA-N 1 2 418.542 0.949 20 0 HCADLO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492630784 1077302947 /nfs/dbraw/zinc/30/29/47/1077302947.db2.gz QVOIPKHSJZYOMF-CVEARBPZSA-N 1 2 418.542 0.949 20 0 HCADLO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492630785 1077302862 /nfs/dbraw/zinc/30/28/62/1077302862.db2.gz QVOIPKHSJZYOMF-HOTGVXAUSA-N 1 2 418.542 0.949 20 0 HCADLO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492630785 1077302855 /nfs/dbraw/zinc/30/28/55/1077302855.db2.gz QVOIPKHSJZYOMF-HOTGVXAUSA-N 1 2 418.542 0.949 20 0 HCADLO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492630786 1077302928 /nfs/dbraw/zinc/30/29/28/1077302928.db2.gz QVOIPKHSJZYOMF-HZPDHXFCSA-N 1 2 418.542 0.949 20 0 HCADLO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492630786 1077302924 /nfs/dbraw/zinc/30/29/24/1077302924.db2.gz QVOIPKHSJZYOMF-HZPDHXFCSA-N 1 2 418.542 0.949 20 0 HCADLO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492630787 1077303044 /nfs/dbraw/zinc/30/30/44/1077303044.db2.gz QVOIPKHSJZYOMF-JKSUJKDBSA-N 1 2 418.542 0.949 20 0 HCADLO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492630787 1077303038 /nfs/dbraw/zinc/30/30/38/1077303038.db2.gz QVOIPKHSJZYOMF-JKSUJKDBSA-N 1 2 418.542 0.949 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn2cccnc12 ZINC000492654227 1077304059 /nfs/dbraw/zinc/30/40/59/1077304059.db2.gz GLSGSIOIOYMYJC-HNNXBMFYSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cnn2cccnc12 ZINC000492654227 1077304057 /nfs/dbraw/zinc/30/40/57/1077304057.db2.gz GLSGSIOIOYMYJC-HNNXBMFYSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn2cccnc12 ZINC000492654228 1077303931 /nfs/dbraw/zinc/30/39/31/1077303931.db2.gz GLSGSIOIOYMYJC-OAHLLOKOSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cnn2cccnc12 ZINC000492654228 1077303924 /nfs/dbraw/zinc/30/39/24/1077303924.db2.gz GLSGSIOIOYMYJC-OAHLLOKOSA-N 1 2 408.466 0.755 20 0 HCADLO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492660063 1077305836 /nfs/dbraw/zinc/30/58/36/1077305836.db2.gz NHPMJSOOIINVNY-BZSNNMDCSA-N 1 2 419.526 0.982 20 0 HCADLO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492660063 1077305831 /nfs/dbraw/zinc/30/58/31/1077305831.db2.gz NHPMJSOOIINVNY-BZSNNMDCSA-N 1 2 419.526 0.982 20 0 HCADLO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492660070 1077306256 /nfs/dbraw/zinc/30/62/56/1077306256.db2.gz NHPMJSOOIINVNY-KSZLIROESA-N 1 2 419.526 0.982 20 0 HCADLO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492660070 1077306251 /nfs/dbraw/zinc/30/62/51/1077306251.db2.gz NHPMJSOOIINVNY-KSZLIROESA-N 1 2 419.526 0.982 20 0 HCADLO C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492660071 1077306138 /nfs/dbraw/zinc/30/61/38/1077306138.db2.gz NHPMJSOOIINVNY-OKZBNKHCSA-N 1 2 419.526 0.982 20 0 HCADLO C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492660071 1077306134 /nfs/dbraw/zinc/30/61/34/1077306134.db2.gz NHPMJSOOIINVNY-OKZBNKHCSA-N 1 2 419.526 0.982 20 0 HCADLO C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492660072 1077306098 /nfs/dbraw/zinc/30/60/98/1077306098.db2.gz NHPMJSOOIINVNY-RCCFBDPRSA-N 1 2 419.526 0.982 20 0 HCADLO C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492660072 1077306094 /nfs/dbraw/zinc/30/60/94/1077306094.db2.gz NHPMJSOOIINVNY-RCCFBDPRSA-N 1 2 419.526 0.982 20 0 HCADLO Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492675594 1077306111 /nfs/dbraw/zinc/30/61/11/1077306111.db2.gz AKJPLNZRFHWDLR-KRWDZBQOSA-N 1 2 413.526 0.991 20 0 HCADLO Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492675594 1077306108 /nfs/dbraw/zinc/30/61/08/1077306108.db2.gz AKJPLNZRFHWDLR-KRWDZBQOSA-N 1 2 413.526 0.991 20 0 HCADLO Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492675606 1077306281 /nfs/dbraw/zinc/30/62/81/1077306281.db2.gz AKJPLNZRFHWDLR-QGZVFWFLSA-N 1 2 413.526 0.991 20 0 HCADLO Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492675606 1077306274 /nfs/dbraw/zinc/30/62/74/1077306274.db2.gz AKJPLNZRFHWDLR-QGZVFWFLSA-N 1 2 413.526 0.991 20 0 HCADLO CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492677613 1077306149 /nfs/dbraw/zinc/30/61/49/1077306149.db2.gz DMRMTZIOCAKNMR-HNNXBMFYSA-N 1 2 404.515 0.561 20 0 HCADLO CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492677613 1077306145 /nfs/dbraw/zinc/30/61/45/1077306145.db2.gz DMRMTZIOCAKNMR-HNNXBMFYSA-N 1 2 404.515 0.561 20 0 HCADLO CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492677616 1077306166 /nfs/dbraw/zinc/30/61/66/1077306166.db2.gz DMRMTZIOCAKNMR-OAHLLOKOSA-N 1 2 404.515 0.561 20 0 HCADLO CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492677616 1077306162 /nfs/dbraw/zinc/30/61/62/1077306162.db2.gz DMRMTZIOCAKNMR-OAHLLOKOSA-N 1 2 404.515 0.561 20 0 HCADLO 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/nfs/dbraw/zinc/30/96/95/1077309695.db2.gz KROXPRNOYUEKAZ-OAHLLOKOSA-N 1 2 413.482 0.824 20 0 HCADLO O=C(CN1CCCS1(=O)=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000492728267 1077310165 /nfs/dbraw/zinc/31/01/65/1077310165.db2.gz KYAIRBYMAJRLQH-UHFFFAOYSA-N 1 2 401.916 0.899 20 0 HCADLO O=S(=O)(N1CCOCC1)N1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000492728541 1077310007 /nfs/dbraw/zinc/31/00/07/1077310007.db2.gz OVJRBVHYZNNCRZ-UHFFFAOYSA-N 1 2 421.523 0.864 20 0 HCADLO NC(=O)NCCCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492756160 1077312285 /nfs/dbraw/zinc/31/22/85/1077312285.db2.gz GGZFDFIZWSCPIU-HNNXBMFYSA-N 1 2 405.503 0.237 20 0 HCADLO NC(=O)NCCCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492756160 1077312278 /nfs/dbraw/zinc/31/22/78/1077312278.db2.gz GGZFDFIZWSCPIU-HNNXBMFYSA-N 1 2 405.503 0.237 20 0 HCADLO NC(=O)NCCCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492756161 1077312203 /nfs/dbraw/zinc/31/22/03/1077312203.db2.gz GGZFDFIZWSCPIU-OAHLLOKOSA-N 1 2 405.503 0.237 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ZINC000492756770 1077312097 /nfs/dbraw/zinc/31/20/97/1077312097.db2.gz LRBNZDGTBHNYBN-KRWDZBQOSA-N 1 2 416.526 0.801 20 0 HCADLO O=C(CN1CCCCCC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492756770 1077312092 /nfs/dbraw/zinc/31/20/92/1077312092.db2.gz LRBNZDGTBHNYBN-KRWDZBQOSA-N 1 2 416.526 0.801 20 0 HCADLO O=C(CN1CCCCCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492756771 1077312260 /nfs/dbraw/zinc/31/22/60/1077312260.db2.gz LRBNZDGTBHNYBN-QGZVFWFLSA-N 1 2 416.526 0.801 20 0 HCADLO O=C(CN1CCCCCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492756771 1077312255 /nfs/dbraw/zinc/31/22/55/1077312255.db2.gz LRBNZDGTBHNYBN-QGZVFWFLSA-N 1 2 416.526 0.801 20 0 HCADLO CC(C)S(=O)(=O)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492757893 1077312804 /nfs/dbraw/zinc/31/28/04/1077312804.db2.gz SIPIUNULXOVTFB-HNNXBMFYSA-N 1 2 411.528 0.221 20 0 HCADLO CC(C)S(=O)(=O)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492757893 1077312801 /nfs/dbraw/zinc/31/28/01/1077312801.db2.gz SIPIUNULXOVTFB-HNNXBMFYSA-N 1 2 411.528 0.221 20 0 HCADLO CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492757894 1077312821 /nfs/dbraw/zinc/31/28/21/1077312821.db2.gz SIPIUNULXOVTFB-OAHLLOKOSA-N 1 2 411.528 0.221 20 0 HCADLO CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492757894 1077312818 /nfs/dbraw/zinc/31/28/18/1077312818.db2.gz SIPIUNULXOVTFB-OAHLLOKOSA-N 1 2 411.528 0.221 20 0 HCADLO CCCNC(=O)CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492782459 1077313370 /nfs/dbraw/zinc/31/33/70/1077313370.db2.gz HBBAJFBXEPYBAZ-INIZCTEOSA-N 1 2 404.515 0.705 20 0 HCADLO CCCNC(=O)CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492782459 1077313363 /nfs/dbraw/zinc/31/33/63/1077313363.db2.gz HBBAJFBXEPYBAZ-INIZCTEOSA-N 1 2 404.515 0.705 20 0 HCADLO CCCNC(=O)CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492782460 1077313434 /nfs/dbraw/zinc/31/34/34/1077313434.db2.gz HBBAJFBXEPYBAZ-MRXNPFEDSA-N 1 2 404.515 0.705 20 0 HCADLO CCCNC(=O)CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492782460 1077313429 /nfs/dbraw/zinc/31/34/29/1077313429.db2.gz HBBAJFBXEPYBAZ-MRXNPFEDSA-N 1 2 404.515 0.705 20 0 HCADLO COC(=O)CSCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492782709 1077313139 /nfs/dbraw/zinc/31/31/39/1077313139.db2.gz IJVBDTKQHGQZQO-HNNXBMFYSA-N 1 2 423.539 0.695 20 0 HCADLO COC(=O)CSCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492782709 1077313131 /nfs/dbraw/zinc/31/31/31/1077313131.db2.gz IJVBDTKQHGQZQO-HNNXBMFYSA-N 1 2 423.539 0.695 20 0 HCADLO COC(=O)CSCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492782710 1077313515 /nfs/dbraw/zinc/31/35/15/1077313515.db2.gz IJVBDTKQHGQZQO-OAHLLOKOSA-N 1 2 423.539 0.695 20 0 HCADLO COC(=O)CSCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492782710 1077313512 /nfs/dbraw/zinc/31/35/12/1077313512.db2.gz IJVBDTKQHGQZQO-OAHLLOKOSA-N 1 2 423.539 0.695 20 0 HCADLO CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000492807138 1077314713 /nfs/dbraw/zinc/31/47/13/1077314713.db2.gz KANVVRQFXYCZHL-HZPDHXFCSA-N 1 2 402.495 0.176 20 0 HCADLO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000492807140 1077314572 /nfs/dbraw/zinc/31/45/72/1077314572.db2.gz KANVVRQFXYCZHL-JKSUJKDBSA-N 1 2 402.495 0.176 20 0 HCADLO CCCS(=O)(=O)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492808345 1077314879 /nfs/dbraw/zinc/31/48/79/1077314879.db2.gz NIZZXJPIFRHSBM-HNNXBMFYSA-N 1 2 411.528 0.223 20 0 HCADLO CCCS(=O)(=O)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492808345 1077314874 /nfs/dbraw/zinc/31/48/74/1077314874.db2.gz NIZZXJPIFRHSBM-HNNXBMFYSA-N 1 2 411.528 0.223 20 0 HCADLO CCCS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492808347 1077315036 /nfs/dbraw/zinc/31/50/36/1077315036.db2.gz NIZZXJPIFRHSBM-OAHLLOKOSA-N 1 2 411.528 0.223 20 0 HCADLO CCCS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492808347 1077315033 /nfs/dbraw/zinc/31/50/33/1077315033.db2.gz 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HCADLO CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492809181 1077314726 /nfs/dbraw/zinc/31/47/26/1077314726.db2.gz PIEWYHOJZVFVOC-HZPDHXFCSA-N 1 2 402.499 0.267 20 0 HCADLO CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000492809182 1077314692 /nfs/dbraw/zinc/31/46/92/1077314692.db2.gz PIEWYHOJZVFVOC-JKSUJKDBSA-N 1 2 402.499 0.267 20 0 HCADLO CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492809182 1077314687 /nfs/dbraw/zinc/31/46/87/1077314687.db2.gz PIEWYHOJZVFVOC-JKSUJKDBSA-N 1 2 402.499 0.267 20 0 HCADLO O=C(CCCNC(=O)C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492809220 1077315010 /nfs/dbraw/zinc/31/50/10/1077315010.db2.gz PNBMASZTIOLNIL-KRWDZBQOSA-N 1 2 416.526 0.705 20 0 HCADLO O=C(CCCNC(=O)C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492809220 1077315006 /nfs/dbraw/zinc/31/50/06/1077315006.db2.gz PNBMASZTIOLNIL-KRWDZBQOSA-N 1 2 416.526 0.705 20 0 HCADLO O=C(CCCNC(=O)C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492809221 1077314862 /nfs/dbraw/zinc/31/48/62/1077314862.db2.gz PNBMASZTIOLNIL-QGZVFWFLSA-N 1 2 416.526 0.705 20 0 HCADLO O=C(CCCNC(=O)C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492809221 1077314861 /nfs/dbraw/zinc/31/48/61/1077314861.db2.gz PNBMASZTIOLNIL-QGZVFWFLSA-N 1 2 416.526 0.705 20 0 HCADLO CN1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000492810496 1077315052 /nfs/dbraw/zinc/31/50/52/1077315052.db2.gz SWUYAILJCUSWAN-CVEARBPZSA-N 1 2 402.499 0.267 20 0 HCADLO CN1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492810496 1077315048 /nfs/dbraw/zinc/31/50/48/1077315048.db2.gz SWUYAILJCUSWAN-CVEARBPZSA-N 1 2 402.499 0.267 20 0 HCADLO CN1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000492810497 1077314957 /nfs/dbraw/zinc/31/49/57/1077314957.db2.gz SWUYAILJCUSWAN-HOTGVXAUSA-N 1 2 402.499 0.267 20 0 HCADLO CN1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492810497 1077314951 /nfs/dbraw/zinc/31/49/51/1077314951.db2.gz SWUYAILJCUSWAN-HOTGVXAUSA-N 1 2 402.499 0.267 20 0 HCADLO CN1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000492810498 1077314988 /nfs/dbraw/zinc/31/49/88/1077314988.db2.gz SWUYAILJCUSWAN-HZPDHXFCSA-N 1 2 402.499 0.267 20 0 HCADLO CN1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492810498 1077314982 /nfs/dbraw/zinc/31/49/82/1077314982.db2.gz SWUYAILJCUSWAN-HZPDHXFCSA-N 1 2 402.499 0.267 20 0 HCADLO CN1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000492810499 1077314905 /nfs/dbraw/zinc/31/49/05/1077314905.db2.gz SWUYAILJCUSWAN-JKSUJKDBSA-N 1 2 402.499 0.267 20 0 HCADLO CN1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000492810499 1077314900 /nfs/dbraw/zinc/31/49/00/1077314900.db2.gz SWUYAILJCUSWAN-JKSUJKDBSA-N 1 2 402.499 0.267 20 0 HCADLO Cc1ccnc2nc(C(=O)N[C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)nn21 ZINC000492827988 1077315774 /nfs/dbraw/zinc/31/57/74/1077315774.db2.gz IDEZGYLMDNJRSQ-HNNXBMFYSA-N 1 2 423.481 0.458 20 0 HCADLO Cc1ccnc2nc(C(=O)N[C@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)nn21 ZINC000492827988 1077315769 /nfs/dbraw/zinc/31/57/69/1077315769.db2.gz IDEZGYLMDNJRSQ-HNNXBMFYSA-N 1 2 423.481 0.458 20 0 HCADLO Cc1ccnc2nc(C(=O)N[C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)nn21 ZINC000492827989 1077315870 /nfs/dbraw/zinc/31/58/70/1077315870.db2.gz IDEZGYLMDNJRSQ-OAHLLOKOSA-N 1 2 423.481 0.458 20 0 HCADLO Cc1ccnc2nc(C(=O)N[C@@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)nn21 ZINC000492827989 1077315862 /nfs/dbraw/zinc/31/58/62/1077315862.db2.gz IDEZGYLMDNJRSQ-OAHLLOKOSA-N 1 2 423.481 0.458 20 0 HCADLO CC(C)CCC(=O)NCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492829376 1077315805 /nfs/dbraw/zinc/31/58/05/1077315805.db2.gz LALAWMHNQKLJJM-KRWDZBQOSA-N 1 2 418.542 0.951 20 0 HCADLO CC(C)CCC(=O)NCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492829376 1077315801 /nfs/dbraw/zinc/31/58/01/1077315801.db2.gz LALAWMHNQKLJJM-KRWDZBQOSA-N 1 2 418.542 0.951 20 0 HCADLO CC(C)CCC(=O)NCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492829379 1077315737 /nfs/dbraw/zinc/31/57/37/1077315737.db2.gz LALAWMHNQKLJJM-QGZVFWFLSA-N 1 2 418.542 0.951 20 0 HCADLO CC(C)CCC(=O)NCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492829379 1077315733 /nfs/dbraw/zinc/31/57/33/1077315733.db2.gz LALAWMHNQKLJJM-QGZVFWFLSA-N 1 2 418.542 0.951 20 0 HCADLO CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492829790 1077315787 /nfs/dbraw/zinc/31/57/87/1077315787.db2.gz LFZJZYCHJBMIFY-INIZCTEOSA-N 1 2 418.542 0.951 20 0 HCADLO CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492829790 1077315783 /nfs/dbraw/zinc/31/57/83/1077315783.db2.gz LFZJZYCHJBMIFY-INIZCTEOSA-N 1 2 418.542 0.951 20 0 HCADLO CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492829791 1077315726 /nfs/dbraw/zinc/31/57/26/1077315726.db2.gz LFZJZYCHJBMIFY-MRXNPFEDSA-N 1 2 418.542 0.951 20 0 HCADLO CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492829791 1077315722 /nfs/dbraw/zinc/31/57/22/1077315722.db2.gz LFZJZYCHJBMIFY-MRXNPFEDSA-N 1 2 418.542 0.951 20 0 HCADLO Cn1nnc2cc(C(=O)N[C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)ccc21 ZINC000492834434 1077316742 /nfs/dbraw/zinc/31/67/42/1077316742.db2.gz SCIQZWPBBRUAIL-INIZCTEOSA-N 1 2 422.493 0.994 20 0 HCADLO Cn1nnc2cc(C(=O)N[C@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)ccc21 ZINC000492834434 1077316733 /nfs/dbraw/zinc/31/67/33/1077316733.db2.gz SCIQZWPBBRUAIL-INIZCTEOSA-N 1 2 422.493 0.994 20 0 HCADLO Cn1nnc2cc(C(=O)N[C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)ccc21 ZINC000492834435 1077316626 /nfs/dbraw/zinc/31/66/26/1077316626.db2.gz SCIQZWPBBRUAIL-MRXNPFEDSA-N 1 2 422.493 0.994 20 0 HCADLO Cn1nnc2cc(C(=O)N[C@@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)ccc21 ZINC000492834435 1077316618 /nfs/dbraw/zinc/31/66/18/1077316618.db2.gz SCIQZWPBBRUAIL-MRXNPFEDSA-N 1 2 422.493 0.994 20 0 HCADLO CS(=O)(=O)CCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492849784 1077317072 /nfs/dbraw/zinc/31/70/72/1077317072.db2.gz DDYVTNCWBAMXKW-HNNXBMFYSA-N 1 2 411.528 0.223 20 0 HCADLO CS(=O)(=O)CCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492849784 1077317069 /nfs/dbraw/zinc/31/70/69/1077317069.db2.gz DDYVTNCWBAMXKW-HNNXBMFYSA-N 1 2 411.528 0.223 20 0 HCADLO CS(=O)(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492849785 1077316948 /nfs/dbraw/zinc/31/69/48/1077316948.db2.gz DDYVTNCWBAMXKW-OAHLLOKOSA-N 1 2 411.528 0.223 20 0 HCADLO CS(=O)(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492849785 1077316941 /nfs/dbraw/zinc/31/69/41/1077316941.db2.gz DDYVTNCWBAMXKW-OAHLLOKOSA-N 1 2 411.528 0.223 20 0 HCADLO CCN(c1ccnc(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)n1)C1CCCC1 ZINC000493037922 1077322839 /nfs/dbraw/zinc/32/28/39/1077322839.db2.gz SFCDCAHIZCWDHJ-INIZCTEOSA-N 1 2 419.530 0.895 20 0 HCADLO CCN(c1ccnc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)n1)C1CCCC1 ZINC000493037922 1077322831 /nfs/dbraw/zinc/32/28/31/1077322831.db2.gz SFCDCAHIZCWDHJ-INIZCTEOSA-N 1 2 419.530 0.895 20 0 HCADLO CCN(c1ccnc(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)n1)C1CCCC1 ZINC000493037927 1077322571 /nfs/dbraw/zinc/32/25/71/1077322571.db2.gz SFCDCAHIZCWDHJ-MRXNPFEDSA-N 1 2 419.530 0.895 20 0 HCADLO CCN(c1ccnc(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)n1)C1CCCC1 ZINC000493037927 1077322564 /nfs/dbraw/zinc/32/25/64/1077322564.db2.gz SFCDCAHIZCWDHJ-MRXNPFEDSA-N 1 2 419.530 0.895 20 0 HCADLO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000493071901 1077323806 /nfs/dbraw/zinc/32/38/06/1077323806.db2.gz PDACCLUTDQCRBZ-AWEZNQCLSA-N 1 2 407.544 0.645 20 0 HCADLO C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000493071901 1077323798 /nfs/dbraw/zinc/32/37/98/1077323798.db2.gz PDACCLUTDQCRBZ-AWEZNQCLSA-N 1 2 407.544 0.645 20 0 HCADLO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000493071904 1077323939 /nfs/dbraw/zinc/32/39/39/1077323939.db2.gz PDACCLUTDQCRBZ-CQSZACIVSA-N 1 2 407.544 0.645 20 0 HCADLO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000493071904 1077323930 /nfs/dbraw/zinc/32/39/30/1077323930.db2.gz PDACCLUTDQCRBZ-CQSZACIVSA-N 1 2 407.544 0.645 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOC[C@H]1CC1CCC1 ZINC000493099693 1077325710 /nfs/dbraw/zinc/32/57/10/1077325710.db2.gz YASJDZZGQNDSCY-GOSISDBHSA-N 1 2 405.499 0.571 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOC[C@@H]1CC1CCC1 ZINC000493099694 1077325669 /nfs/dbraw/zinc/32/56/69/1077325669.db2.gz YASJDZZGQNDSCY-SFHVURJKSA-N 1 2 405.499 0.571 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CN(C)C(=O)c3ccccc32)CC1 ZINC000493128475 1077326667 /nfs/dbraw/zinc/32/66/67/1077326667.db2.gz CNDFBGGWOFZLOE-KRWDZBQOSA-N 1 2 405.462 0.881 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CN(C)C(=O)c3ccccc32)CC1 ZINC000493128476 1077326755 /nfs/dbraw/zinc/32/67/55/1077326755.db2.gz CNDFBGGWOFZLOE-QGZVFWFLSA-N 1 2 405.462 0.881 20 0 HCADLO CN(C)c1cccc(S(=O)(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000493131478 1077327058 /nfs/dbraw/zinc/32/70/58/1077327058.db2.gz JZXQIAMNNNWHLF-UHFFFAOYSA-N 1 2 403.508 0.758 20 0 HCADLO Cc1nc(Cn2nnc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C)no1 ZINC000493231020 1077329568 /nfs/dbraw/zinc/32/95/68/1077329568.db2.gz AIMAAPORNLIBRR-KRWDZBQOSA-N 1 2 411.466 0.957 20 0 HCADLO Cc1nc(Cn2nnc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2C)no1 ZINC000493231020 1077329561 /nfs/dbraw/zinc/32/95/61/1077329561.db2.gz AIMAAPORNLIBRR-KRWDZBQOSA-N 1 2 411.466 0.957 20 0 HCADLO Cc1nc(Cn2nnc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C)no1 ZINC000493231029 1077329505 /nfs/dbraw/zinc/32/95/05/1077329505.db2.gz AIMAAPORNLIBRR-QGZVFWFLSA-N 1 2 411.466 0.957 20 0 HCADLO Cc1nc(Cn2nnc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2C)no1 ZINC000493231029 1077329499 /nfs/dbraw/zinc/32/94/99/1077329499.db2.gz AIMAAPORNLIBRR-QGZVFWFLSA-N 1 2 411.466 0.957 20 0 HCADLO O=C(CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)N1CCN(c2ccccn2)CC1 ZINC000493235066 1077329881 /nfs/dbraw/zinc/32/98/81/1077329881.db2.gz XAHYNXTWUDLRHY-IBGZPJMESA-N 1 2 415.538 0.880 20 0 HCADLO O=C(CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)N1CCN(c2ccccn2)CC1 ZINC000493235066 1077329874 /nfs/dbraw/zinc/32/98/74/1077329874.db2.gz XAHYNXTWUDLRHY-IBGZPJMESA-N 1 2 415.538 0.880 20 0 HCADLO O=C(CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)N1CCN(c2ccccn2)CC1 ZINC000493235068 1077329936 /nfs/dbraw/zinc/32/99/36/1077329936.db2.gz XAHYNXTWUDLRHY-LJQANCHMSA-N 1 2 415.538 0.880 20 0 HCADLO O=C(CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)N1CCN(c2ccccn2)CC1 ZINC000493235068 1077329928 /nfs/dbraw/zinc/32/99/28/1077329928.db2.gz XAHYNXTWUDLRHY-LJQANCHMSA-N 1 2 415.538 0.880 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1 ZINC000493236100 1077330058 /nfs/dbraw/zinc/33/00/58/1077330058.db2.gz ZDBUOLVTYVBCCC-AWEZNQCLSA-N 1 2 414.453 0.958 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1 ZINC000493236102 1077329898 /nfs/dbraw/zinc/32/98/98/1077329898.db2.gz ZDBUOLVTYVBCCC-CQSZACIVSA-N 1 2 414.453 0.958 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@H](O)CC3)cc2)CC1 ZINC000493280033 1077339115 /nfs/dbraw/zinc/33/91/15/1077339115.db2.gz VJIYFQJQOPOEEP-IBGZPJMESA-N 1 2 402.495 0.663 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@@H](O)CC3)cc2)CC1 ZINC000493280034 1077339128 /nfs/dbraw/zinc/33/91/28/1077339128.db2.gz VJIYFQJQOPOEEP-LJQANCHMSA-N 1 2 402.495 0.663 20 0 HCADLO C[C@H](OCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nccn1C ZINC000493300931 1077338220 /nfs/dbraw/zinc/33/82/20/1077338220.db2.gz FLNZAECURJNLPO-INIZCTEOSA-N 1 2 400.483 0.748 20 0 HCADLO C[C@@H](OCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nccn1C ZINC000493300934 1077338154 /nfs/dbraw/zinc/33/81/54/1077338154.db2.gz FLNZAECURJNLPO-MRXNPFEDSA-N 1 2 400.483 0.748 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1-n1cnnn1 ZINC000493340564 1077342448 /nfs/dbraw/zinc/34/24/48/1077342448.db2.gz VYYPHMQMKZDDCI-UHFFFAOYSA-N 1 2 417.470 0.179 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000493340580 1077342436 /nfs/dbraw/zinc/34/24/36/1077342436.db2.gz WCNQVYPHEBZEJJ-UHFFFAOYSA-N 1 2 415.487 0.737 20 0 HCADLO O=c1[nH]c2ccc(S(=O)(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc2[nH]1 ZINC000493345075 1077343109 /nfs/dbraw/zinc/34/31/09/1077343109.db2.gz VFYMHPPQVYZKJQ-UHFFFAOYSA-N 1 2 417.495 0.549 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)C3COC3)cc2)CC1 ZINC000493367890 1077343754 /nfs/dbraw/zinc/34/37/54/1077343754.db2.gz WJKDOIDBDORUOS-UHFFFAOYSA-N 1 2 411.524 0.090 20 0 HCADLO Cc1ccccc1-c1nc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000493372998 1077344021 /nfs/dbraw/zinc/34/40/21/1077344021.db2.gz MSJNWXFSGYPKMH-INIZCTEOSA-N 1 2 413.478 0.842 20 0 HCADLO Cc1ccccc1-c1nc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000493373005 1077344035 /nfs/dbraw/zinc/34/40/35/1077344035.db2.gz MSJNWXFSGYPKMH-MRXNPFEDSA-N 1 2 413.478 0.842 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000493379228 1077344393 /nfs/dbraw/zinc/34/43/93/1077344393.db2.gz CCDIQVMWYWWDQV-UHFFFAOYSA-N 1 2 404.467 0.550 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H](CO)SC)cc2)CC1 ZINC000493382360 1077344266 /nfs/dbraw/zinc/34/42/66/1077344266.db2.gz IBHAOZBLFYFJAV-CRAIPNDOSA-N 1 2 408.568 0.991 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](CO)SC)cc2)CC1 ZINC000493382361 1077344420 /nfs/dbraw/zinc/34/44/20/1077344420.db2.gz IBHAOZBLFYFJAV-MAUKXSAKSA-N 1 2 408.568 0.991 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)[C@H](CO)SC)cc2)CC1 ZINC000493382362 1077344471 /nfs/dbraw/zinc/34/44/71/1077344471.db2.gz IBHAOZBLFYFJAV-QAPCUYQASA-N 1 2 408.568 0.991 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H](CO)SC)cc2)CC1 ZINC000493382363 1077344603 /nfs/dbraw/zinc/34/46/03/1077344603.db2.gz IBHAOZBLFYFJAV-YJBOKZPZSA-N 1 2 408.568 0.991 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](CCO)CSC)cc2)CC1 ZINC000493388789 1077345087 /nfs/dbraw/zinc/34/50/87/1077345087.db2.gz RVRKDYVARCSXLS-GOSISDBHSA-N 1 2 408.568 0.993 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](CCO)CSC)cc2)CC1 ZINC000493388791 1077344937 /nfs/dbraw/zinc/34/49/37/1077344937.db2.gz RVRKDYVARCSXLS-SFHVURJKSA-N 1 2 408.568 0.993 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCC[C@@H](O)CC2)CC1 ZINC000493393134 1077343144 /nfs/dbraw/zinc/34/31/44/1077343144.db2.gz MHJFDZGGXWLEPC-GOSISDBHSA-N 1 2 402.495 0.663 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCC[C@H](O)CC2)CC1 ZINC000493393136 1077343095 /nfs/dbraw/zinc/34/30/95/1077343095.db2.gz MHJFDZGGXWLEPC-SFHVURJKSA-N 1 2 402.495 0.663 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000493393425 1077343162 /nfs/dbraw/zinc/34/31/62/1077343162.db2.gz YULBNLBILPRWJB-UHFFFAOYSA-N 1 2 412.512 0.102 20 0 HCADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)ccc1F ZINC000493393432 1077343189 /nfs/dbraw/zinc/34/31/89/1077343189.db2.gz YYCSYOJULIBFCW-UHFFFAOYSA-N 1 2 419.461 0.618 20 0 HCADLO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000493408475 1077345973 /nfs/dbraw/zinc/34/59/73/1077345973.db2.gz CCETUWYOFXJGBM-UHFFFAOYSA-N 1 2 407.467 0.746 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)CC1 ZINC000493410382 1077346275 /nfs/dbraw/zinc/34/62/75/1077346275.db2.gz KJDMYVIDBJDWRG-UHFFFAOYSA-N 1 2 411.524 0.739 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](O)CC3)c2)CC1 ZINC000493412414 1077346607 /nfs/dbraw/zinc/34/66/07/1077346607.db2.gz OMIUDIOPBOCPLF-IBGZPJMESA-N 1 2 402.495 0.663 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](O)CC3)c2)CC1 ZINC000493412415 1077346528 /nfs/dbraw/zinc/34/65/28/1077346528.db2.gz OMIUDIOPBOCPLF-LJQANCHMSA-N 1 2 402.495 0.663 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000493416476 1077347165 /nfs/dbraw/zinc/34/71/65/1077347165.db2.gz SWTHNUSRNLYMOA-UHFFFAOYSA-N 1 2 405.499 0.426 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000493471682 1077349769 /nfs/dbraw/zinc/34/97/69/1077349769.db2.gz DMPIIVIKSDYNNW-UHFFFAOYSA-N 1 2 420.510 0.661 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000493474824 1077350235 /nfs/dbraw/zinc/35/02/35/1077350235.db2.gz VRRXZWVOFARRSU-UHFFFAOYSA-N 1 2 406.483 0.449 20 0 HCADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000493495832 1077351880 /nfs/dbraw/zinc/35/18/80/1077351880.db2.gz BJVYCCZMHIBWMO-UHFFFAOYSA-N 1 2 420.510 0.905 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000493497441 1077351967 /nfs/dbraw/zinc/35/19/67/1077351967.db2.gz CVKVXXWVTOAYHU-UHFFFAOYSA-N 1 2 403.483 0.724 20 0 HCADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000493505182 1077351660 /nfs/dbraw/zinc/35/16/60/1077351660.db2.gz WBYNAQKKFURNJE-UHFFFAOYSA-N 1 2 411.524 0.988 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[S@@](=O)[C@@H](C)C3)cc2)CC1 ZINC000493505603 1077351200 /nfs/dbraw/zinc/35/12/00/1077351200.db2.gz XTZNQPZVSPRCQJ-DEXQXJORSA-N 1 2 406.552 0.742 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[S@](=O)[C@H](C)C3)cc2)CC1 ZINC000493505604 1077351235 /nfs/dbraw/zinc/35/12/35/1077351235.db2.gz XTZNQPZVSPRCQJ-HJWYETAXSA-N 1 2 406.552 0.742 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[S@](=O)[C@@H](C)C3)cc2)CC1 ZINC000493505605 1077351308 /nfs/dbraw/zinc/35/13/08/1077351308.db2.gz XTZNQPZVSPRCQJ-OLRZCDJHSA-N 1 2 406.552 0.742 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[S@@](=O)[C@H](C)C3)cc2)CC1 ZINC000493505606 1077351350 /nfs/dbraw/zinc/35/13/50/1077351350.db2.gz XTZNQPZVSPRCQJ-WVDZOPJMSA-N 1 2 406.552 0.742 20 0 HCADLO CNc1nc(N2CCc3cc[nH]c(=O)c3C2)[nH+]c(N2CCc3cc[nH]c(=O)c3C2)n1 ZINC000493529207 1077352817 /nfs/dbraw/zinc/35/28/17/1077352817.db2.gz QCUMWZQLTGRFFC-UHFFFAOYSA-N 1 2 406.450 0.662 20 0 HCADLO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000493601376 1077356508 /nfs/dbraw/zinc/35/65/08/1077356508.db2.gz BVVQJHDASNUQTB-UHFFFAOYSA-N 1 2 406.483 0.563 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000493603360 1077356107 /nfs/dbraw/zinc/35/61/07/1077356107.db2.gz JHPVTEAEOALFBZ-UHFFFAOYSA-N 1 2 420.510 0.661 20 0 HCADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000493603369 1077356582 /nfs/dbraw/zinc/35/65/82/1077356582.db2.gz JLBJTOCEDGAKTE-UHFFFAOYSA-N 1 2 420.510 0.905 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000493629273 1077357372 /nfs/dbraw/zinc/35/73/72/1077357372.db2.gz AFSKWNKTXTUBSC-UHFFFAOYSA-N 1 2 411.524 0.739 20 0 HCADLO CN(C)c1ccc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000493635282 1077358766 /nfs/dbraw/zinc/35/87/66/1077358766.db2.gz MRDRWCSWRHMZLP-UHFFFAOYSA-N 1 2 401.496 0.940 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000493657655 1077360029 /nfs/dbraw/zinc/36/00/29/1077360029.db2.gz NGORAYXTQNLPNO-UHFFFAOYSA-N 1 2 411.524 0.739 20 0 HCADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000493677900 1077361889 /nfs/dbraw/zinc/36/18/89/1077361889.db2.gz KKKIKFRTLZZAOA-UHFFFAOYSA-N 1 2 420.510 0.709 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000493706713 1077362648 /nfs/dbraw/zinc/36/26/48/1077362648.db2.gz MIELBORVBMRSLB-UHFFFAOYSA-N 1 2 406.483 0.449 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 ZINC000493714822 1077363294 /nfs/dbraw/zinc/36/32/94/1077363294.db2.gz YVXMUPVCLDPSGB-UHFFFAOYSA-N 1 2 404.511 0.825 20 0 HCADLO Cc1oc2nc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nc(N)c2c1C ZINC000493737629 1077365049 /nfs/dbraw/zinc/36/50/49/1077365049.db2.gz NMIPOXPYJZDIKM-UHFFFAOYSA-N 1 2 423.543 0.032 20 0 HCADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1S(N)(=O)=O ZINC000493765261 1077364618 /nfs/dbraw/zinc/36/46/18/1077364618.db2.gz GYLRDKSHUCJGCP-UHFFFAOYSA-N 1 2 412.512 0.150 20 0 HCADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000493767401 1077366363 /nfs/dbraw/zinc/36/63/63/1077366363.db2.gz MSPJECNGZCTAOS-UHFFFAOYSA-N 1 2 415.498 0.868 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1OCC(N)=O ZINC000493768076 1077366026 /nfs/dbraw/zinc/36/60/26/1077366026.db2.gz OBCAMKKHROVGKK-UHFFFAOYSA-N 1 2 422.482 0.067 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000493793023 1077365477 /nfs/dbraw/zinc/36/54/77/1077365477.db2.gz UBMCCZZYIBMOFC-CVEARBPZSA-N 1 2 411.524 0.974 20 0 HCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000493793024 1077365461 /nfs/dbraw/zinc/36/54/61/1077365461.db2.gz UBMCCZZYIBMOFC-HOTGVXAUSA-N 1 2 411.524 0.974 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000493793025 1077365598 /nfs/dbraw/zinc/36/55/98/1077365598.db2.gz UBMCCZZYIBMOFC-HZPDHXFCSA-N 1 2 411.524 0.974 20 0 HCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000493793026 1077365523 /nfs/dbraw/zinc/36/55/23/1077365523.db2.gz UBMCCZZYIBMOFC-JKSUJKDBSA-N 1 2 411.524 0.974 20 0 HCADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000493797578 1077365828 /nfs/dbraw/zinc/36/58/28/1077365828.db2.gz RGBRWXFZGJXHJZ-UHFFFAOYSA-N 1 2 411.524 0.906 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000493800095 1077366056 /nfs/dbraw/zinc/36/60/56/1077366056.db2.gz YBULAEBVGGYFHV-UHFFFAOYSA-N 1 2 402.451 0.420 20 0 HCADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000493800296 1077367182 /nfs/dbraw/zinc/36/71/82/1077367182.db2.gz ZWBPJYAUFNIIIN-UHFFFAOYSA-N 1 2 406.483 0.319 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000493843325 1077368228 /nfs/dbraw/zinc/36/82/28/1077368228.db2.gz KOSKVMSDAUVHAF-UHFFFAOYSA-N 1 2 400.483 0.834 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000493846193 1077368494 /nfs/dbraw/zinc/36/84/94/1077368494.db2.gz POUALVGJQIBRML-UHFFFAOYSA-N 1 2 403.483 0.385 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000493848742 1077368520 /nfs/dbraw/zinc/36/85/20/1077368520.db2.gz SXBFXDOYSCAUMB-UHFFFAOYSA-N 1 2 404.446 0.914 20 0 HCADLO CN(CC(=O)NCc1cccs1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000493863417 1077369802 /nfs/dbraw/zinc/36/98/02/1077369802.db2.gz LCXAPBVECMXNSX-HNNXBMFYSA-N 1 2 408.524 0.003 20 0 HCADLO CN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000493863418 1077369840 /nfs/dbraw/zinc/36/98/40/1077369840.db2.gz LCXAPBVECMXNSX-OAHLLOKOSA-N 1 2 408.524 0.003 20 0 HCADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000493870275 1077370188 /nfs/dbraw/zinc/37/01/88/1077370188.db2.gz DUSMNSFHBWUHPT-UHFFFAOYSA-N 1 2 407.467 0.746 20 0 HCADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1-n1cnnn1 ZINC000493870295 1077370082 /nfs/dbraw/zinc/37/00/82/1077370082.db2.gz FCWWMUNDOBWLMK-UHFFFAOYSA-N 1 2 401.471 0.478 20 0 HCADLO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000493874759 1077370628 /nfs/dbraw/zinc/37/06/28/1077370628.db2.gz PAMZXWLKZGBLTI-UHFFFAOYSA-N 1 2 401.471 0.478 20 0 HCADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000493876026 1077370611 /nfs/dbraw/zinc/37/06/11/1077370611.db2.gz STLXELLLVVLQIM-UHFFFAOYSA-N 1 2 420.510 0.709 20 0 HCADLO C[C@H]([C@H](C)NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[NH+]1CCOCC1 ZINC000493877911 1077370802 /nfs/dbraw/zinc/37/08/02/1077370802.db2.gz FNAGAHNAMUCXOE-BBWFWOEESA-N 1 2 410.540 0.858 20 0 HCADLO C[C@@H](NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000493877912 1077370768 /nfs/dbraw/zinc/37/07/68/1077370768.db2.gz FNAGAHNAMUCXOE-IKGGRYGDSA-N 1 2 410.540 0.858 20 0 HCADLO C[C@H](NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000493877913 1077370826 /nfs/dbraw/zinc/37/08/26/1077370826.db2.gz FNAGAHNAMUCXOE-ULQDDVLXSA-N 1 2 410.540 0.858 20 0 HCADLO C[C@@H](NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000493877914 1077370858 /nfs/dbraw/zinc/37/08/58/1077370858.db2.gz FNAGAHNAMUCXOE-ZACQAIPSSA-N 1 2 410.540 0.858 20 0 HCADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000493887307 1077371814 /nfs/dbraw/zinc/37/18/14/1077371814.db2.gz CMGSATJSWJAWEH-UHFFFAOYSA-N 1 2 420.510 0.709 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000493887898 1077371732 /nfs/dbraw/zinc/37/17/32/1077371732.db2.gz IJXRIKWIZXXKIW-SNRMKQJTSA-N 1 2 408.522 0.837 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000493887898 1077371725 /nfs/dbraw/zinc/37/17/25/1077371725.db2.gz IJXRIKWIZXXKIW-SNRMKQJTSA-N 1 2 408.522 0.837 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000493887899 1077371804 /nfs/dbraw/zinc/37/18/04/1077371804.db2.gz IJXRIKWIZXXKIW-ZYSHUDEJSA-N 1 2 408.522 0.837 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000493887899 1077371802 /nfs/dbraw/zinc/37/18/02/1077371802.db2.gz IJXRIKWIZXXKIW-ZYSHUDEJSA-N 1 2 408.522 0.837 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000493888081 1077371843 /nfs/dbraw/zinc/37/18/43/1077371843.db2.gz KAPUFDSUKSKZHG-UHFFFAOYSA-N 1 2 400.483 0.834 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000493890619 1077372356 /nfs/dbraw/zinc/37/23/56/1077372356.db2.gz FZQSIGJOVKYPTA-AWEZNQCLSA-N 1 2 404.467 0.914 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000493890620 1077372438 /nfs/dbraw/zinc/37/24/38/1077372438.db2.gz FZQSIGJOVKYPTA-CQSZACIVSA-N 1 2 404.467 0.914 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 ZINC000493891243 1077372323 /nfs/dbraw/zinc/37/23/23/1077372323.db2.gz LEZZPYRJEKNFLH-UHFFFAOYSA-N 1 2 403.483 0.724 20 0 HCADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccnc4c(C(N)=O)cnn43)CC2)c1 ZINC000493919079 1077374182 /nfs/dbraw/zinc/37/41/82/1077374182.db2.gz COHFXZCSYSDENY-UHFFFAOYSA-N 1 2 424.461 0.674 20 0 HCADLO CN(C)C(=O)COC[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC(C)(C)O1 ZINC000493928520 1077377579 /nfs/dbraw/zinc/37/75/79/1077377579.db2.gz ULQMKCPYAKHYIY-DLBZAZTESA-N 1 2 412.531 0.143 20 0 HCADLO CN(C)C(=O)COC[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC(C)(C)O1 ZINC000493928520 1077377567 /nfs/dbraw/zinc/37/75/67/1077377567.db2.gz ULQMKCPYAKHYIY-DLBZAZTESA-N 1 2 412.531 0.143 20 0 HCADLO CN(C)C(=O)COC[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC(C)(C)O1 ZINC000493928521 1077377649 /nfs/dbraw/zinc/37/76/49/1077377649.db2.gz ULQMKCPYAKHYIY-IAGOWNOFSA-N 1 2 412.531 0.143 20 0 HCADLO CN(C)C(=O)COC[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC(C)(C)O1 ZINC000493928521 1077377643 /nfs/dbraw/zinc/37/76/43/1077377643.db2.gz ULQMKCPYAKHYIY-IAGOWNOFSA-N 1 2 412.531 0.143 20 0 HCADLO CN(C)C(=O)COC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC(C)(C)O1 ZINC000493928522 1077377726 /nfs/dbraw/zinc/37/77/26/1077377726.db2.gz ULQMKCPYAKHYIY-IRXDYDNUSA-N 1 2 412.531 0.143 20 0 HCADLO CN(C)C(=O)COC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC(C)(C)O1 ZINC000493928522 1077377719 /nfs/dbraw/zinc/37/77/19/1077377719.db2.gz ULQMKCPYAKHYIY-IRXDYDNUSA-N 1 2 412.531 0.143 20 0 HCADLO CN(C)C(=O)COC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC(C)(C)O1 ZINC000493928523 1077377617 /nfs/dbraw/zinc/37/76/17/1077377617.db2.gz ULQMKCPYAKHYIY-SJORKVTESA-N 1 2 412.531 0.143 20 0 HCADLO CN(C)C(=O)COC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC(C)(C)O1 ZINC000493928523 1077377612 /nfs/dbraw/zinc/37/76/12/1077377612.db2.gz ULQMKCPYAKHYIY-SJORKVTESA-N 1 2 412.531 0.143 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000493935291 1077378331 /nfs/dbraw/zinc/37/83/31/1077378331.db2.gz HZUYVBGLYUQYAS-GOSISDBHSA-N 1 2 408.524 0.906 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000493935291 1077378322 /nfs/dbraw/zinc/37/83/22/1077378322.db2.gz HZUYVBGLYUQYAS-GOSISDBHSA-N 1 2 408.524 0.906 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000493935293 1077378202 /nfs/dbraw/zinc/37/82/02/1077378202.db2.gz HZUYVBGLYUQYAS-SFHVURJKSA-N 1 2 408.524 0.906 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000493935293 1077378191 /nfs/dbraw/zinc/37/81/91/1077378191.db2.gz HZUYVBGLYUQYAS-SFHVURJKSA-N 1 2 408.524 0.906 20 0 HCADLO CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000493939501 1077378945 /nfs/dbraw/zinc/37/89/45/1077378945.db2.gz FGMBBUOYHCPDSF-MSOLQXFVSA-N 1 2 422.570 0.568 20 0 HCADLO CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000493939502 1077379035 /nfs/dbraw/zinc/37/90/35/1077379035.db2.gz FGMBBUOYHCPDSF-QZTJIDSGSA-N 1 2 422.570 0.568 20 0 HCADLO CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000493939503 1077378863 /nfs/dbraw/zinc/37/88/63/1077378863.db2.gz FGMBBUOYHCPDSF-ROUUACIJSA-N 1 2 422.570 0.568 20 0 HCADLO CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000493939504 1077378888 /nfs/dbraw/zinc/37/88/88/1077378888.db2.gz FGMBBUOYHCPDSF-ZWKOTPCHSA-N 1 2 422.570 0.568 20 0 HCADLO C[C@H]([C@H](C)NC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1)[NH+]1CCOCC1 ZINC000493943768 1077379142 /nfs/dbraw/zinc/37/91/42/1077379142.db2.gz VRUZPUBWPTYIBU-ARFHVFGLSA-N 1 2 402.561 0.599 20 0 HCADLO C[C@H](NC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000493943769 1077379301 /nfs/dbraw/zinc/37/93/01/1077379301.db2.gz VRUZPUBWPTYIBU-HRCADAONSA-N 1 2 402.561 0.599 20 0 HCADLO C[C@H](NC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000493943770 1077379282 /nfs/dbraw/zinc/37/92/82/1077379282.db2.gz VRUZPUBWPTYIBU-JYJNAYRXSA-N 1 2 402.561 0.599 20 0 HCADLO C[C@H]([C@H](C)NC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)[NH+]1CCOCC1 ZINC000493943771 1077379182 /nfs/dbraw/zinc/37/91/82/1077379182.db2.gz VRUZPUBWPTYIBU-XHSDSOJGSA-N 1 2 402.561 0.599 20 0 HCADLO O=C1C[C@H]([NH+]2CCC(NS(=O)(=O)C3COC3)CC2)C(=O)N1Cc1ccccc1 ZINC000493952096 1077381101 /nfs/dbraw/zinc/38/11/01/1077381101.db2.gz HKZTWDGULPXARL-KRWDZBQOSA-N 1 2 407.492 0.097 20 0 HCADLO O=C1C[C@@H]([NH+]2CCC(NS(=O)(=O)C3COC3)CC2)C(=O)N1Cc1ccccc1 ZINC000493952097 1077381436 /nfs/dbraw/zinc/38/14/36/1077381436.db2.gz HKZTWDGULPXARL-QGZVFWFLSA-N 1 2 407.492 0.097 20 0 HCADLO CN(C(=O)CN1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1)C1CCCCC1 ZINC000493959791 1077382027 /nfs/dbraw/zinc/38/20/27/1077382027.db2.gz GUQZLARUTXPVRN-FQEVSTJZSA-N 1 2 421.586 0.968 20 0 HCADLO CN(C(=O)CN1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1)C1CCCCC1 ZINC000493959791 1077382019 /nfs/dbraw/zinc/38/20/19/1077382019.db2.gz GUQZLARUTXPVRN-FQEVSTJZSA-N 1 2 421.586 0.968 20 0 HCADLO CN(C(=O)CN1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1)C1CCCCC1 ZINC000493959792 1077381951 /nfs/dbraw/zinc/38/19/51/1077381951.db2.gz GUQZLARUTXPVRN-HXUWFJFHSA-N 1 2 421.586 0.968 20 0 HCADLO CN(C(=O)CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1)C1CCCCC1 ZINC000493959792 1077381941 /nfs/dbraw/zinc/38/19/41/1077381941.db2.gz GUQZLARUTXPVRN-HXUWFJFHSA-N 1 2 421.586 0.968 20 0 HCADLO Cc1ccc(S(=O)(=O)NC2CN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)C2)cc1 ZINC000493960365 1077382092 /nfs/dbraw/zinc/38/20/92/1077382092.db2.gz LOUQWQGGBLYCTK-KRWDZBQOSA-N 1 2 408.524 0.530 20 0 HCADLO Cc1ccc(S(=O)(=O)NC2CN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)C2)cc1 ZINC000493960365 1077382087 /nfs/dbraw/zinc/38/20/87/1077382087.db2.gz LOUQWQGGBLYCTK-KRWDZBQOSA-N 1 2 408.524 0.530 20 0 HCADLO Cc1ccc(S(=O)(=O)NC2CN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)C2)cc1 ZINC000493960367 1077381919 /nfs/dbraw/zinc/38/19/19/1077381919.db2.gz LOUQWQGGBLYCTK-QGZVFWFLSA-N 1 2 408.524 0.530 20 0 HCADLO Cc1ccc(S(=O)(=O)NC2CN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)C2)cc1 ZINC000493960367 1077381907 /nfs/dbraw/zinc/38/19/07/1077381907.db2.gz LOUQWQGGBLYCTK-QGZVFWFLSA-N 1 2 408.524 0.530 20 0 HCADLO Cn1ncc2c1ncnc2N1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493962723 1077382456 /nfs/dbraw/zinc/38/24/56/1077382456.db2.gz VWNMCWFWRHISQE-HNNXBMFYSA-N 1 2 400.487 0.058 20 0 HCADLO Cn1ncc2c1ncnc2N1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493962723 1077382445 /nfs/dbraw/zinc/38/24/45/1077382445.db2.gz VWNMCWFWRHISQE-HNNXBMFYSA-N 1 2 400.487 0.058 20 0 HCADLO Cn1ncc2c1ncnc2N1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493962724 1077382432 /nfs/dbraw/zinc/38/24/32/1077382432.db2.gz VWNMCWFWRHISQE-OAHLLOKOSA-N 1 2 400.487 0.058 20 0 HCADLO Cn1ncc2c1ncnc2N1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493962724 1077382424 /nfs/dbraw/zinc/38/24/24/1077382424.db2.gz VWNMCWFWRHISQE-OAHLLOKOSA-N 1 2 400.487 0.058 20 0 HCADLO CS(=O)(=O)Nc1ccc(OCCNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000493970145 1077383462 /nfs/dbraw/zinc/38/34/62/1077383462.db2.gz QRZZDPHTZZLWFC-KRWDZBQOSA-N 1 2 412.512 0.599 20 0 HCADLO CS(=O)(=O)Nc1ccc(OCCNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000493970145 1077383453 /nfs/dbraw/zinc/38/34/53/1077383453.db2.gz QRZZDPHTZZLWFC-KRWDZBQOSA-N 1 2 412.512 0.599 20 0 HCADLO CS(=O)(=O)Nc1ccc(OCCNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000493970151 1077383523 /nfs/dbraw/zinc/38/35/23/1077383523.db2.gz QRZZDPHTZZLWFC-QGZVFWFLSA-N 1 2 412.512 0.599 20 0 HCADLO CS(=O)(=O)Nc1ccc(OCCNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000493970151 1077383516 /nfs/dbraw/zinc/38/35/16/1077383516.db2.gz QRZZDPHTZZLWFC-QGZVFWFLSA-N 1 2 412.512 0.599 20 0 HCADLO O=C(COc1ccc(F)cc1)N1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493970433 1077383870 /nfs/dbraw/zinc/38/38/70/1077383870.db2.gz SDIXBEJAGPYKQW-IBGZPJMESA-N 1 2 420.485 0.922 20 0 HCADLO O=C(COc1ccc(F)cc1)N1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493970433 1077383862 /nfs/dbraw/zinc/38/38/62/1077383862.db2.gz SDIXBEJAGPYKQW-IBGZPJMESA-N 1 2 420.485 0.922 20 0 HCADLO O=C(COc1ccc(F)cc1)N1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493970434 1077383833 /nfs/dbraw/zinc/38/38/33/1077383833.db2.gz SDIXBEJAGPYKQW-LJQANCHMSA-N 1 2 420.485 0.922 20 0 HCADLO O=C(COc1ccc(F)cc1)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493970434 1077383827 /nfs/dbraw/zinc/38/38/27/1077383827.db2.gz SDIXBEJAGPYKQW-LJQANCHMSA-N 1 2 420.485 0.922 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000493971765 1077383944 /nfs/dbraw/zinc/38/39/44/1077383944.db2.gz ZHEVMLGQGUFNEZ-GOSISDBHSA-N 1 2 422.551 0.956 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000493971765 1077383941 /nfs/dbraw/zinc/38/39/41/1077383941.db2.gz ZHEVMLGQGUFNEZ-GOSISDBHSA-N 1 2 422.551 0.956 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000493971766 1077383894 /nfs/dbraw/zinc/38/38/94/1077383894.db2.gz ZHEVMLGQGUFNEZ-SFHVURJKSA-N 1 2 422.551 0.956 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000493971766 1077383888 /nfs/dbraw/zinc/38/38/88/1077383888.db2.gz ZHEVMLGQGUFNEZ-SFHVURJKSA-N 1 2 422.551 0.956 20 0 HCADLO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000493991533 1077384663 /nfs/dbraw/zinc/38/46/63/1077384663.db2.gz HTXUCZBMRYNADZ-GGPKGHCWSA-N 1 2 421.586 0.872 20 0 HCADLO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000493991533 1077384656 /nfs/dbraw/zinc/38/46/56/1077384656.db2.gz HTXUCZBMRYNADZ-GGPKGHCWSA-N 1 2 421.586 0.872 20 0 HCADLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000493991534 1077384711 /nfs/dbraw/zinc/38/47/11/1077384711.db2.gz HTXUCZBMRYNADZ-HBFSDRIKSA-N 1 2 421.586 0.872 20 0 HCADLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000493991534 1077384702 /nfs/dbraw/zinc/38/47/02/1077384702.db2.gz HTXUCZBMRYNADZ-HBFSDRIKSA-N 1 2 421.586 0.872 20 0 HCADLO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000493991535 1077384539 /nfs/dbraw/zinc/38/45/39/1077384539.db2.gz HTXUCZBMRYNADZ-QWFCFKBJSA-N 1 2 421.586 0.872 20 0 HCADLO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000493991535 1077384534 /nfs/dbraw/zinc/38/45/34/1077384534.db2.gz HTXUCZBMRYNADZ-QWFCFKBJSA-N 1 2 421.586 0.872 20 0 HCADLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000493991536 1077384478 /nfs/dbraw/zinc/38/44/78/1077384478.db2.gz HTXUCZBMRYNADZ-WSTZPKSXSA-N 1 2 421.586 0.872 20 0 HCADLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000493991536 1077384473 /nfs/dbraw/zinc/38/44/73/1077384473.db2.gz HTXUCZBMRYNADZ-WSTZPKSXSA-N 1 2 421.586 0.872 20 0 HCADLO CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000494006058 1077386199 /nfs/dbraw/zinc/38/61/99/1077386199.db2.gz FXBMCZIRYZCGTM-INIZCTEOSA-N 1 2 417.510 0.306 20 0 HCADLO CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000494006059 1077386290 /nfs/dbraw/zinc/38/62/90/1077386290.db2.gz FXBMCZIRYZCGTM-MRXNPFEDSA-N 1 2 417.510 0.306 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)c(N)n(Cc2ccccc2)c1=O ZINC000494014444 1077388291 /nfs/dbraw/zinc/38/82/91/1077388291.db2.gz DADQGRPDFCKPAJ-UHFFFAOYSA-N 1 2 421.457 0.519 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(N)n(Cc2ccccc2)c1=O ZINC000494014444 1077388284 /nfs/dbraw/zinc/38/82/84/1077388284.db2.gz DADQGRPDFCKPAJ-UHFFFAOYSA-N 1 2 421.457 0.519 20 0 HCADLO Cc1cc(NC(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000494069690 1077397849 /nfs/dbraw/zinc/39/78/49/1077397849.db2.gz RAFMCJBOTFUSEO-AWEZNQCLSA-N 1 2 405.480 0.649 20 0 HCADLO Cc1cc(NC(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000494069690 1077397843 /nfs/dbraw/zinc/39/78/43/1077397843.db2.gz RAFMCJBOTFUSEO-AWEZNQCLSA-N 1 2 405.480 0.649 20 0 HCADLO Cc1cc(NC(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000494069691 1077397984 /nfs/dbraw/zinc/39/79/84/1077397984.db2.gz RAFMCJBOTFUSEO-CQSZACIVSA-N 1 2 405.480 0.649 20 0 HCADLO Cc1cc(NC(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000494069691 1077397977 /nfs/dbraw/zinc/39/79/77/1077397977.db2.gz RAFMCJBOTFUSEO-CQSZACIVSA-N 1 2 405.480 0.649 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Sc2nnnn2C2CC2)CC1 ZINC000494072776 1077398565 /nfs/dbraw/zinc/39/85/65/1077398565.db2.gz OJEJZEBLAFJEAF-AWEZNQCLSA-N 1 2 409.560 0.891 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Sc2nnnn2C2CC2)CC1 ZINC000494072776 1077398557 /nfs/dbraw/zinc/39/85/57/1077398557.db2.gz OJEJZEBLAFJEAF-AWEZNQCLSA-N 1 2 409.560 0.891 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)CC1 ZINC000494072777 1077398444 /nfs/dbraw/zinc/39/84/44/1077398444.db2.gz OJEJZEBLAFJEAF-CQSZACIVSA-N 1 2 409.560 0.891 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)CC1 ZINC000494072777 1077398437 /nfs/dbraw/zinc/39/84/37/1077398437.db2.gz OJEJZEBLAFJEAF-CQSZACIVSA-N 1 2 409.560 0.891 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000494074200 1077398694 /nfs/dbraw/zinc/39/86/94/1077398694.db2.gz DUEBWSSTLHNLFO-AWEZNQCLSA-N 1 2 414.453 0.958 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000494074201 1077398843 /nfs/dbraw/zinc/39/88/43/1077398843.db2.gz DUEBWSSTLHNLFO-CQSZACIVSA-N 1 2 414.453 0.958 20 0 HCADLO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1=O ZINC000494100103 1077397711 /nfs/dbraw/zinc/39/77/11/1077397711.db2.gz VXXJWANTPZFSGQ-ATZDWAIDSA-N 1 2 413.522 0.498 20 0 HCADLO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1=O ZINC000494100104 1077397666 /nfs/dbraw/zinc/39/76/66/1077397666.db2.gz VXXJWANTPZFSGQ-AYOQOUSVSA-N 1 2 413.522 0.498 20 0 HCADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1=O ZINC000494100105 1077397589 /nfs/dbraw/zinc/39/75/89/1077397589.db2.gz VXXJWANTPZFSGQ-LZQZEXGQSA-N 1 2 413.522 0.498 20 0 HCADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1=O ZINC000494100106 1077397648 /nfs/dbraw/zinc/39/76/48/1077397648.db2.gz VXXJWANTPZFSGQ-MNEFBYGVSA-N 1 2 413.522 0.498 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)c2)CC1 ZINC000494104644 1077407697 /nfs/dbraw/zinc/40/76/97/1077407697.db2.gz FBARVKODVIAVCL-GOSISDBHSA-N 1 2 415.538 0.888 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)c2)CC1 ZINC000494104645 1077407397 /nfs/dbraw/zinc/40/73/97/1077407397.db2.gz FBARVKODVIAVCL-SFHVURJKSA-N 1 2 415.538 0.888 20 0 HCADLO COC(=O)c1cccc2[nH]c(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)nc21 ZINC000494115354 1077402672 /nfs/dbraw/zinc/40/26/72/1077402672.db2.gz FYQCYJKNHKAOOA-CYBMUJFWSA-N 1 2 415.450 0.469 20 0 HCADLO COC(=O)c1cccc2[nH]c(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)nc21 ZINC000494115355 1077402987 /nfs/dbraw/zinc/40/29/87/1077402987.db2.gz FYQCYJKNHKAOOA-ZDUSSCGKSA-N 1 2 415.450 0.469 20 0 HCADLO O=C(CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000494150198 1077413666 /nfs/dbraw/zinc/41/36/66/1077413666.db2.gz XVLBWUKDJXTSAB-GOSISDBHSA-N 1 2 416.526 0.275 20 0 HCADLO O=C(CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000494150198 1077413651 /nfs/dbraw/zinc/41/36/51/1077413651.db2.gz XVLBWUKDJXTSAB-GOSISDBHSA-N 1 2 416.526 0.275 20 0 HCADLO O=C(CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000494150199 1077413312 /nfs/dbraw/zinc/41/33/12/1077413312.db2.gz XVLBWUKDJXTSAB-SFHVURJKSA-N 1 2 416.526 0.275 20 0 HCADLO O=C(CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000494150199 1077413288 /nfs/dbraw/zinc/41/32/88/1077413288.db2.gz XVLBWUKDJXTSAB-SFHVURJKSA-N 1 2 416.526 0.275 20 0 HCADLO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)no2)cn1 ZINC000494187651 1077434195 /nfs/dbraw/zinc/43/41/95/1077434195.db2.gz CUPYUUZEFNFRIL-CVEARBPZSA-N 1 2 417.470 0.416 20 0 HCADLO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)no2)cn1 ZINC000494187651 1077434184 /nfs/dbraw/zinc/43/41/84/1077434184.db2.gz CUPYUUZEFNFRIL-CVEARBPZSA-N 1 2 417.470 0.416 20 0 HCADLO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)no2)cn1 ZINC000494187652 1077434114 /nfs/dbraw/zinc/43/41/14/1077434114.db2.gz CUPYUUZEFNFRIL-HOTGVXAUSA-N 1 2 417.470 0.416 20 0 HCADLO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)no2)cn1 ZINC000494187652 1077434100 /nfs/dbraw/zinc/43/41/00/1077434100.db2.gz CUPYUUZEFNFRIL-HOTGVXAUSA-N 1 2 417.470 0.416 20 0 HCADLO Cn1cc(-c2nc([C@H]3COCCN3C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)no2)cn1 ZINC000494187653 1077434601 /nfs/dbraw/zinc/43/46/01/1077434601.db2.gz CUPYUUZEFNFRIL-HZPDHXFCSA-N 1 2 417.470 0.416 20 0 HCADLO Cn1cc(-c2nc([C@H]3COCCN3C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)no2)cn1 ZINC000494187653 1077434587 /nfs/dbraw/zinc/43/45/87/1077434587.db2.gz CUPYUUZEFNFRIL-HZPDHXFCSA-N 1 2 417.470 0.416 20 0 HCADLO Cn1cc(-c2nc([C@H]3COCCN3C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)no2)cn1 ZINC000494187654 1077434480 /nfs/dbraw/zinc/43/44/80/1077434480.db2.gz CUPYUUZEFNFRIL-JKSUJKDBSA-N 1 2 417.470 0.416 20 0 HCADLO Cn1cc(-c2nc([C@H]3COCCN3C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)no2)cn1 ZINC000494187654 1077434460 /nfs/dbraw/zinc/43/44/60/1077434460.db2.gz CUPYUUZEFNFRIL-JKSUJKDBSA-N 1 2 417.470 0.416 20 0 HCADLO COCCC(=O)N1CCC(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000494188374 1077420169 /nfs/dbraw/zinc/42/01/69/1077420169.db2.gz JILRRHFFXCCSTJ-UHFFFAOYSA-N 1 2 408.503 0.364 20 0 HCADLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCN1c1nccn2cnnc12 ZINC000494189145 1077434878 /nfs/dbraw/zinc/43/48/78/1077434878.db2.gz PGKLTGKYQAOFTB-GDBMZVCRSA-N 1 2 400.487 0.208 20 0 HCADLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCN1c1nccn2cnnc12 ZINC000494189145 1077434870 /nfs/dbraw/zinc/43/48/70/1077434870.db2.gz PGKLTGKYQAOFTB-GDBMZVCRSA-N 1 2 400.487 0.208 20 0 HCADLO C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCN1c1nccn2cnnc12 ZINC000494189146 1077434999 /nfs/dbraw/zinc/43/49/99/1077434999.db2.gz PGKLTGKYQAOFTB-GOEBONIOSA-N 1 2 400.487 0.208 20 0 HCADLO C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCN1c1nccn2cnnc12 ZINC000494189146 1077434991 /nfs/dbraw/zinc/43/49/91/1077434991.db2.gz PGKLTGKYQAOFTB-GOEBONIOSA-N 1 2 400.487 0.208 20 0 HCADLO C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCN1c1nccn2cnnc12 ZINC000494189147 1077435316 /nfs/dbraw/zinc/43/53/16/1077435316.db2.gz PGKLTGKYQAOFTB-HOCLYGCPSA-N 1 2 400.487 0.208 20 0 HCADLO C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCN1c1nccn2cnnc12 ZINC000494189147 1077435301 /nfs/dbraw/zinc/43/53/01/1077435301.db2.gz PGKLTGKYQAOFTB-HOCLYGCPSA-N 1 2 400.487 0.208 20 0 HCADLO C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCN1c1nccn2cnnc12 ZINC000494189148 1077434940 /nfs/dbraw/zinc/43/49/40/1077434940.db2.gz PGKLTGKYQAOFTB-ZBFHGGJFSA-N 1 2 400.487 0.208 20 0 HCADLO C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCN1c1nccn2cnnc12 ZINC000494189148 1077434930 /nfs/dbraw/zinc/43/49/30/1077434930.db2.gz PGKLTGKYQAOFTB-ZBFHGGJFSA-N 1 2 400.487 0.208 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000494189631 1077435929 /nfs/dbraw/zinc/43/59/29/1077435929.db2.gz SYUXQVAUBKTXAK-IBGZPJMESA-N 1 2 422.551 0.707 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000494189631 1077435925 /nfs/dbraw/zinc/43/59/25/1077435925.db2.gz SYUXQVAUBKTXAK-IBGZPJMESA-N 1 2 422.551 0.707 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000494189632 1077435969 /nfs/dbraw/zinc/43/59/69/1077435969.db2.gz SYUXQVAUBKTXAK-LJQANCHMSA-N 1 2 422.551 0.707 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000494189632 1077435957 /nfs/dbraw/zinc/43/59/57/1077435957.db2.gz SYUXQVAUBKTXAK-LJQANCHMSA-N 1 2 422.551 0.707 20 0 HCADLO CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NC[C@H]1C[N@H+](C3CC3)CCO1)C2 ZINC000494191348 1077435913 /nfs/dbraw/zinc/43/59/13/1077435913.db2.gz INSGYVXEDJFTOV-INIZCTEOSA-N 1 2 408.524 0.989 20 0 HCADLO CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NC[C@H]1C[N@@H+](C3CC3)CCO1)C2 ZINC000494191348 1077435912 /nfs/dbraw/zinc/43/59/12/1077435912.db2.gz INSGYVXEDJFTOV-INIZCTEOSA-N 1 2 408.524 0.989 20 0 HCADLO CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NC[C@@H]1C[N@H+](C3CC3)CCO1)C2 ZINC000494191349 1077435710 /nfs/dbraw/zinc/43/57/10/1077435710.db2.gz INSGYVXEDJFTOV-MRXNPFEDSA-N 1 2 408.524 0.989 20 0 HCADLO CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NC[C@@H]1C[N@@H+](C3CC3)CCO1)C2 ZINC000494191349 1077435699 /nfs/dbraw/zinc/43/56/99/1077435699.db2.gz INSGYVXEDJFTOV-MRXNPFEDSA-N 1 2 408.524 0.989 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000494192855 1077437760 /nfs/dbraw/zinc/43/77/60/1077437760.db2.gz UPXIODHIWMEGEH-KRWDZBQOSA-N 1 2 410.540 0.778 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000494192855 1077437748 /nfs/dbraw/zinc/43/77/48/1077437748.db2.gz UPXIODHIWMEGEH-KRWDZBQOSA-N 1 2 410.540 0.778 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000494192856 1077437579 /nfs/dbraw/zinc/43/75/79/1077437579.db2.gz UPXIODHIWMEGEH-QGZVFWFLSA-N 1 2 410.540 0.778 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000494192856 1077437562 /nfs/dbraw/zinc/43/75/62/1077437562.db2.gz UPXIODHIWMEGEH-QGZVFWFLSA-N 1 2 410.540 0.778 20 0 HCADLO CCOc1ccnc(N2CCCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494193294 1077437146 /nfs/dbraw/zinc/43/71/46/1077437146.db2.gz YCJODVJTSCDCNJ-KRWDZBQOSA-N 1 2 404.515 0.960 20 0 HCADLO CCOc1ccnc(N2CCCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494193294 1077437143 /nfs/dbraw/zinc/43/71/43/1077437143.db2.gz YCJODVJTSCDCNJ-KRWDZBQOSA-N 1 2 404.515 0.960 20 0 HCADLO CCOc1ccnc(N2CCCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494193295 1077437101 /nfs/dbraw/zinc/43/71/01/1077437101.db2.gz YCJODVJTSCDCNJ-QGZVFWFLSA-N 1 2 404.515 0.960 20 0 HCADLO CCOc1ccnc(N2CCCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494193295 1077437095 /nfs/dbraw/zinc/43/70/95/1077437095.db2.gz YCJODVJTSCDCNJ-QGZVFWFLSA-N 1 2 404.515 0.960 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1)NC1CCCCC1 ZINC000494193590 1077436953 /nfs/dbraw/zinc/43/69/53/1077436953.db2.gz AGPHKJDCEOZBKR-IBGZPJMESA-N 1 2 407.559 0.626 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1)NC1CCCCC1 ZINC000494193590 1077436926 /nfs/dbraw/zinc/43/69/26/1077436926.db2.gz AGPHKJDCEOZBKR-IBGZPJMESA-N 1 2 407.559 0.626 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1)NC1CCCCC1 ZINC000494193591 1077437125 /nfs/dbraw/zinc/43/71/25/1077437125.db2.gz AGPHKJDCEOZBKR-LJQANCHMSA-N 1 2 407.559 0.626 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1)NC1CCCCC1 ZINC000494193591 1077437124 /nfs/dbraw/zinc/43/71/24/1077437124.db2.gz AGPHKJDCEOZBKR-LJQANCHMSA-N 1 2 407.559 0.626 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494193886 1077438366 /nfs/dbraw/zinc/43/83/66/1077438366.db2.gz CPCOSWSFQYFEJV-RYQLBKOJSA-N 1 2 406.506 0.894 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494193886 1077438357 /nfs/dbraw/zinc/43/83/57/1077438357.db2.gz CPCOSWSFQYFEJV-RYQLBKOJSA-N 1 2 406.506 0.894 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494193887 1077438573 /nfs/dbraw/zinc/43/85/73/1077438573.db2.gz CPCOSWSFQYFEJV-SZMVWBNQSA-N 1 2 406.506 0.894 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494193887 1077438566 /nfs/dbraw/zinc/43/85/66/1077438566.db2.gz CPCOSWSFQYFEJV-SZMVWBNQSA-N 1 2 406.506 0.894 20 0 HCADLO CO[C@@H](C)c1noc(CN2CCCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494194124 1077437797 /nfs/dbraw/zinc/43/77/97/1077437797.db2.gz FLUYSBSJSPDMJT-DOTOQJQBSA-N 1 2 422.530 0.858 20 0 HCADLO CO[C@@H](C)c1noc(CN2CCCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494194124 1077437796 /nfs/dbraw/zinc/43/77/96/1077437796.db2.gz FLUYSBSJSPDMJT-DOTOQJQBSA-N 1 2 422.530 0.858 20 0 HCADLO CO[C@H](C)c1noc(CN2CCCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494194125 1077437723 /nfs/dbraw/zinc/43/77/23/1077437723.db2.gz FLUYSBSJSPDMJT-NVXWUHKLSA-N 1 2 422.530 0.858 20 0 HCADLO CO[C@H](C)c1noc(CN2CCCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494194125 1077437712 /nfs/dbraw/zinc/43/77/12/1077437712.db2.gz FLUYSBSJSPDMJT-NVXWUHKLSA-N 1 2 422.530 0.858 20 0 HCADLO CO[C@@H](C)c1noc(CN2CCCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494194126 1077437426 /nfs/dbraw/zinc/43/74/26/1077437426.db2.gz FLUYSBSJSPDMJT-RDJZCZTQSA-N 1 2 422.530 0.858 20 0 HCADLO CO[C@@H](C)c1noc(CN2CCCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494194126 1077437406 /nfs/dbraw/zinc/43/74/06/1077437406.db2.gz FLUYSBSJSPDMJT-RDJZCZTQSA-N 1 2 422.530 0.858 20 0 HCADLO CO[C@H](C)c1noc(CN2CCCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494194127 1077438269 /nfs/dbraw/zinc/43/82/69/1077438269.db2.gz FLUYSBSJSPDMJT-WBVHZDCISA-N 1 2 422.530 0.858 20 0 HCADLO CO[C@H](C)c1noc(CN2CCCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494194127 1077438258 /nfs/dbraw/zinc/43/82/58/1077438258.db2.gz FLUYSBSJSPDMJT-WBVHZDCISA-N 1 2 422.530 0.858 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)nc1 ZINC000494195301 1077438108 /nfs/dbraw/zinc/43/81/08/1077438108.db2.gz NTXSTAUFCLGKLE-GOSISDBHSA-N 1 2 417.510 0.953 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)nc1 ZINC000494195301 1077438085 /nfs/dbraw/zinc/43/80/85/1077438085.db2.gz NTXSTAUFCLGKLE-GOSISDBHSA-N 1 2 417.510 0.953 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)nc1 ZINC000494195302 1077438319 /nfs/dbraw/zinc/43/83/19/1077438319.db2.gz NTXSTAUFCLGKLE-SFHVURJKSA-N 1 2 417.510 0.953 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)nc1 ZINC000494195302 1077438307 /nfs/dbraw/zinc/43/83/07/1077438307.db2.gz NTXSTAUFCLGKLE-SFHVURJKSA-N 1 2 417.510 0.953 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494195404 1077438397 /nfs/dbraw/zinc/43/83/97/1077438397.db2.gz OMCOAWKFLAPXCH-WDSOQIARSA-N 1 2 408.522 0.837 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494195404 1077438391 /nfs/dbraw/zinc/43/83/91/1077438391.db2.gz OMCOAWKFLAPXCH-WDSOQIARSA-N 1 2 408.522 0.837 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494195405 1077438551 /nfs/dbraw/zinc/43/85/51/1077438551.db2.gz OMCOAWKFLAPXCH-YTQUADARSA-N 1 2 408.522 0.837 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494195405 1077438548 /nfs/dbraw/zinc/43/85/48/1077438548.db2.gz OMCOAWKFLAPXCH-YTQUADARSA-N 1 2 408.522 0.837 20 0 HCADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494195712 1077438930 /nfs/dbraw/zinc/43/89/30/1077438930.db2.gz QVTKFXUHWPYUCJ-APWZRJJASA-N 1 2 407.559 0.624 20 0 HCADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494195712 1077438918 /nfs/dbraw/zinc/43/89/18/1077438918.db2.gz QVTKFXUHWPYUCJ-APWZRJJASA-N 1 2 407.559 0.624 20 0 HCADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494195713 1077439051 /nfs/dbraw/zinc/43/90/51/1077439051.db2.gz QVTKFXUHWPYUCJ-LPHOPBHVSA-N 1 2 407.559 0.624 20 0 HCADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494195713 1077439048 /nfs/dbraw/zinc/43/90/48/1077439048.db2.gz QVTKFXUHWPYUCJ-LPHOPBHVSA-N 1 2 407.559 0.624 20 0 HCADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494195714 1077439097 /nfs/dbraw/zinc/43/90/97/1077439097.db2.gz QVTKFXUHWPYUCJ-QFBILLFUSA-N 1 2 407.559 0.624 20 0 HCADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494195714 1077439084 /nfs/dbraw/zinc/43/90/84/1077439084.db2.gz QVTKFXUHWPYUCJ-QFBILLFUSA-N 1 2 407.559 0.624 20 0 HCADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494195715 1077438880 /nfs/dbraw/zinc/43/88/80/1077438880.db2.gz QVTKFXUHWPYUCJ-VQIMIIECSA-N 1 2 407.559 0.624 20 0 HCADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494195715 1077438872 /nfs/dbraw/zinc/43/88/72/1077438872.db2.gz QVTKFXUHWPYUCJ-VQIMIIECSA-N 1 2 407.559 0.624 20 0 HCADLO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)C2)cc1 ZINC000494195832 1077438814 /nfs/dbraw/zinc/43/88/14/1077438814.db2.gz RXLPRDLMSFRVLA-KRWDZBQOSA-N 1 2 424.523 0.231 20 0 HCADLO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)C2)cc1 ZINC000494195832 1077438805 /nfs/dbraw/zinc/43/88/05/1077438805.db2.gz RXLPRDLMSFRVLA-KRWDZBQOSA-N 1 2 424.523 0.231 20 0 HCADLO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)C2)cc1 ZINC000494195833 1077438971 /nfs/dbraw/zinc/43/89/71/1077438971.db2.gz RXLPRDLMSFRVLA-QGZVFWFLSA-N 1 2 424.523 0.231 20 0 HCADLO COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)C2)cc1 ZINC000494195833 1077438957 /nfs/dbraw/zinc/43/89/57/1077438957.db2.gz RXLPRDLMSFRVLA-QGZVFWFLSA-N 1 2 424.523 0.231 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1)Nc1ccccc1F ZINC000494196432 1077438220 /nfs/dbraw/zinc/43/82/20/1077438220.db2.gz WUJKEVYNNDFYPP-KRWDZBQOSA-N 1 2 419.501 0.955 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1)Nc1ccccc1F ZINC000494196432 1077438207 /nfs/dbraw/zinc/43/82/07/1077438207.db2.gz WUJKEVYNNDFYPP-KRWDZBQOSA-N 1 2 419.501 0.955 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1)Nc1ccccc1F ZINC000494196433 1077438439 /nfs/dbraw/zinc/43/84/39/1077438439.db2.gz WUJKEVYNNDFYPP-QGZVFWFLSA-N 1 2 419.501 0.955 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1)Nc1ccccc1F ZINC000494196433 1077438431 /nfs/dbraw/zinc/43/84/31/1077438431.db2.gz WUJKEVYNNDFYPP-QGZVFWFLSA-N 1 2 419.501 0.955 20 0 HCADLO O=C(CN1CCOCC1)Nc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000494197934 1077440465 /nfs/dbraw/zinc/44/04/65/1077440465.db2.gz JKQDWUFKFJETSN-IBGZPJMESA-N 1 2 417.510 0.942 20 0 HCADLO O=C(CN1CCOCC1)Nc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000494197934 1077440457 /nfs/dbraw/zinc/44/04/57/1077440457.db2.gz JKQDWUFKFJETSN-IBGZPJMESA-N 1 2 417.510 0.942 20 0 HCADLO O=C(CN1CCOCC1)Nc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000494197935 1077440083 /nfs/dbraw/zinc/44/00/83/1077440083.db2.gz JKQDWUFKFJETSN-LJQANCHMSA-N 1 2 417.510 0.942 20 0 HCADLO O=C(CN1CCOCC1)Nc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000494197935 1077440068 /nfs/dbraw/zinc/44/00/68/1077440068.db2.gz JKQDWUFKFJETSN-LJQANCHMSA-N 1 2 417.510 0.942 20 0 HCADLO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@H]1C[N@H+](C3CC3)CCO1)C2 ZINC000494198456 1077439365 /nfs/dbraw/zinc/43/93/65/1077439365.db2.gz NPAWQLQEVLCFKX-KRWDZBQOSA-N 1 2 422.551 0.868 20 0 HCADLO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@H]1C[N@@H+](C3CC3)CCO1)C2 ZINC000494198456 1077439355 /nfs/dbraw/zinc/43/93/55/1077439355.db2.gz NPAWQLQEVLCFKX-KRWDZBQOSA-N 1 2 422.551 0.868 20 0 HCADLO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1C[N@H+](C3CC3)CCO1)C2 ZINC000494198457 1077439568 /nfs/dbraw/zinc/43/95/68/1077439568.db2.gz NPAWQLQEVLCFKX-QGZVFWFLSA-N 1 2 422.551 0.868 20 0 HCADLO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1C[N@@H+](C3CC3)CCO1)C2 ZINC000494198457 1077439554 /nfs/dbraw/zinc/43/95/54/1077439554.db2.gz NPAWQLQEVLCFKX-QGZVFWFLSA-N 1 2 422.551 0.868 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 ZINC000494198467 1077439446 /nfs/dbraw/zinc/43/94/46/1077439446.db2.gz NRTJUDGBHWTKBB-KBPBESRZSA-N 1 2 418.420 0.787 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 ZINC000494198467 1077439437 /nfs/dbraw/zinc/43/94/37/1077439437.db2.gz NRTJUDGBHWTKBB-KBPBESRZSA-N 1 2 418.420 0.787 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 ZINC000494198468 1077439679 /nfs/dbraw/zinc/43/96/79/1077439679.db2.gz NRTJUDGBHWTKBB-KGLIPLIRSA-N 1 2 418.420 0.787 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 ZINC000494198468 1077439664 /nfs/dbraw/zinc/43/96/64/1077439664.db2.gz NRTJUDGBHWTKBB-KGLIPLIRSA-N 1 2 418.420 0.787 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 ZINC000494198469 1077439299 /nfs/dbraw/zinc/43/92/99/1077439299.db2.gz NRTJUDGBHWTKBB-UONOGXRCSA-N 1 2 418.420 0.787 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 ZINC000494198469 1077439290 /nfs/dbraw/zinc/43/92/90/1077439290.db2.gz NRTJUDGBHWTKBB-UONOGXRCSA-N 1 2 418.420 0.787 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 ZINC000494198470 1077439267 /nfs/dbraw/zinc/43/92/67/1077439267.db2.gz NRTJUDGBHWTKBB-ZIAGYGMSSA-N 1 2 418.420 0.787 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 ZINC000494198470 1077439260 /nfs/dbraw/zinc/43/92/60/1077439260.db2.gz NRTJUDGBHWTKBB-ZIAGYGMSSA-N 1 2 418.420 0.787 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000494199125 1077440395 /nfs/dbraw/zinc/44/03/95/1077440395.db2.gz SNPPOSLZDDQMGT-GDBMZVCRSA-N 1 2 400.545 0.353 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000494199125 1077440384 /nfs/dbraw/zinc/44/03/84/1077440384.db2.gz SNPPOSLZDDQMGT-GDBMZVCRSA-N 1 2 400.545 0.353 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000494199126 1077440256 /nfs/dbraw/zinc/44/02/56/1077440256.db2.gz SNPPOSLZDDQMGT-GOEBONIOSA-N 1 2 400.545 0.353 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000494199126 1077440238 /nfs/dbraw/zinc/44/02/38/1077440238.db2.gz SNPPOSLZDDQMGT-GOEBONIOSA-N 1 2 400.545 0.353 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000494199127 1077440026 /nfs/dbraw/zinc/44/00/26/1077440026.db2.gz SNPPOSLZDDQMGT-HOCLYGCPSA-N 1 2 400.545 0.353 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000494199127 1077440023 /nfs/dbraw/zinc/44/00/23/1077440023.db2.gz SNPPOSLZDDQMGT-HOCLYGCPSA-N 1 2 400.545 0.353 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000494199128 1077440428 /nfs/dbraw/zinc/44/04/28/1077440428.db2.gz SNPPOSLZDDQMGT-ZBFHGGJFSA-N 1 2 400.545 0.353 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000494199128 1077440419 /nfs/dbraw/zinc/44/04/19/1077440419.db2.gz SNPPOSLZDDQMGT-ZBFHGGJFSA-N 1 2 400.545 0.353 20 0 HCADLO COc1cccc(CC(=O)N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)c1 ZINC000494199804 1077440888 /nfs/dbraw/zinc/44/08/88/1077440888.db2.gz YPKQEVWRVGYHFB-FQEVSTJZSA-N 1 2 416.522 0.955 20 0 HCADLO COc1cccc(CC(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)c1 ZINC000494199804 1077440882 /nfs/dbraw/zinc/44/08/82/1077440882.db2.gz YPKQEVWRVGYHFB-FQEVSTJZSA-N 1 2 416.522 0.955 20 0 HCADLO COc1cccc(CC(=O)N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)c1 ZINC000494199805 1077441193 /nfs/dbraw/zinc/44/11/93/1077441193.db2.gz YPKQEVWRVGYHFB-HXUWFJFHSA-N 1 2 416.522 0.955 20 0 HCADLO COc1cccc(CC(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)c1 ZINC000494199805 1077441175 /nfs/dbraw/zinc/44/11/75/1077441175.db2.gz YPKQEVWRVGYHFB-HXUWFJFHSA-N 1 2 416.522 0.955 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000494201123 1077441056 /nfs/dbraw/zinc/44/10/56/1077441056.db2.gz JWFUJWVZVGBQRV-KRWDZBQOSA-N 1 2 404.467 0.503 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000494201123 1077441035 /nfs/dbraw/zinc/44/10/35/1077441035.db2.gz JWFUJWVZVGBQRV-KRWDZBQOSA-N 1 2 404.467 0.503 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000494201124 1077441116 /nfs/dbraw/zinc/44/11/16/1077441116.db2.gz JWFUJWVZVGBQRV-QGZVFWFLSA-N 1 2 404.467 0.503 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000494201124 1077441101 /nfs/dbraw/zinc/44/11/01/1077441101.db2.gz JWFUJWVZVGBQRV-QGZVFWFLSA-N 1 2 404.467 0.503 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000494202490 1077441872 /nfs/dbraw/zinc/44/18/72/1077441872.db2.gz VDWXAXJUOJFXSN-KRWDZBQOSA-N 1 2 420.535 0.636 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000494202490 1077441852 /nfs/dbraw/zinc/44/18/52/1077441852.db2.gz VDWXAXJUOJFXSN-KRWDZBQOSA-N 1 2 420.535 0.636 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000494202491 1077441648 /nfs/dbraw/zinc/44/16/48/1077441648.db2.gz VDWXAXJUOJFXSN-QGZVFWFLSA-N 1 2 420.535 0.636 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000494202491 1077441636 /nfs/dbraw/zinc/44/16/36/1077441636.db2.gz VDWXAXJUOJFXSN-QGZVFWFLSA-N 1 2 420.535 0.636 20 0 HCADLO CCOc1cc(C)nc(N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494204410 1077442322 /nfs/dbraw/zinc/44/23/22/1077442322.db2.gz JHWMXWBSNBYVAQ-KRWDZBQOSA-N 1 2 404.515 0.879 20 0 HCADLO CCOc1cc(C)nc(N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494204410 1077442318 /nfs/dbraw/zinc/44/23/18/1077442318.db2.gz JHWMXWBSNBYVAQ-KRWDZBQOSA-N 1 2 404.515 0.879 20 0 HCADLO CCOc1cc(C)nc(N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494204411 1077442648 /nfs/dbraw/zinc/44/26/48/1077442648.db2.gz JHWMXWBSNBYVAQ-QGZVFWFLSA-N 1 2 404.515 0.879 20 0 HCADLO CCOc1cc(C)nc(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494204411 1077442636 /nfs/dbraw/zinc/44/26/36/1077442636.db2.gz JHWMXWBSNBYVAQ-QGZVFWFLSA-N 1 2 404.515 0.879 20 0 HCADLO CS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)Cc2ccccc21 ZINC000494206605 1077427971 /nfs/dbraw/zinc/42/79/71/1077427971.db2.gz YELITERCWYVAGI-KRWDZBQOSA-N 1 2 408.524 0.841 20 0 HCADLO CS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)Cc2ccccc21 ZINC000494206605 1077427948 /nfs/dbraw/zinc/42/79/48/1077427948.db2.gz YELITERCWYVAGI-KRWDZBQOSA-N 1 2 408.524 0.841 20 0 HCADLO CS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)Cc2ccccc21 ZINC000494206606 1077427651 /nfs/dbraw/zinc/42/76/51/1077427651.db2.gz YELITERCWYVAGI-QGZVFWFLSA-N 1 2 408.524 0.841 20 0 HCADLO CS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)Cc2ccccc21 ZINC000494206606 1077427636 /nfs/dbraw/zinc/42/76/36/1077427636.db2.gz YELITERCWYVAGI-QGZVFWFLSA-N 1 2 408.524 0.841 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494206705 1077428103 /nfs/dbraw/zinc/42/81/03/1077428103.db2.gz YUVVEQHODSLPTL-KRWDZBQOSA-N 1 2 424.523 0.692 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494206705 1077428088 /nfs/dbraw/zinc/42/80/88/1077428088.db2.gz YUVVEQHODSLPTL-KRWDZBQOSA-N 1 2 424.523 0.692 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494206706 1077427855 /nfs/dbraw/zinc/42/78/55/1077427855.db2.gz YUVVEQHODSLPTL-QGZVFWFLSA-N 1 2 424.523 0.692 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494206706 1077427832 /nfs/dbraw/zinc/42/78/32/1077427832.db2.gz YUVVEQHODSLPTL-QGZVFWFLSA-N 1 2 424.523 0.692 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1)Nc1ccc(F)cc1 ZINC000494206768 1077428553 /nfs/dbraw/zinc/42/85/53/1077428553.db2.gz ZFZYTLFJBBULPB-IBGZPJMESA-N 1 2 419.501 0.955 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1)Nc1ccc(F)cc1 ZINC000494206768 1077428531 /nfs/dbraw/zinc/42/85/31/1077428531.db2.gz ZFZYTLFJBBULPB-IBGZPJMESA-N 1 2 419.501 0.955 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1)Nc1ccc(F)cc1 ZINC000494206769 1077429035 /nfs/dbraw/zinc/42/90/35/1077429035.db2.gz ZFZYTLFJBBULPB-LJQANCHMSA-N 1 2 419.501 0.955 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1)Nc1ccc(F)cc1 ZINC000494206769 1077429017 /nfs/dbraw/zinc/42/90/17/1077429017.db2.gz ZFZYTLFJBBULPB-LJQANCHMSA-N 1 2 419.501 0.955 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)cc1 ZINC000494207215 1077429088 /nfs/dbraw/zinc/42/90/88/1077429088.db2.gz BZDGXELISYCPMO-GOSISDBHSA-N 1 2 422.551 0.874 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)cc1 ZINC000494207215 1077429075 /nfs/dbraw/zinc/42/90/75/1077429075.db2.gz BZDGXELISYCPMO-GOSISDBHSA-N 1 2 422.551 0.874 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)cc1 ZINC000494207216 1077428894 /nfs/dbraw/zinc/42/88/94/1077428894.db2.gz BZDGXELISYCPMO-SFHVURJKSA-N 1 2 422.551 0.874 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)cc1 ZINC000494207216 1077428862 /nfs/dbraw/zinc/42/88/62/1077428862.db2.gz BZDGXELISYCPMO-SFHVURJKSA-N 1 2 422.551 0.874 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494208512 1077429173 /nfs/dbraw/zinc/42/91/73/1077429173.db2.gz LRDYPOFERYZSKD-CRAIPNDOSA-N 1 2 416.588 0.941 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494208512 1077429165 /nfs/dbraw/zinc/42/91/65/1077429165.db2.gz LRDYPOFERYZSKD-CRAIPNDOSA-N 1 2 416.588 0.941 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494208513 1077428692 /nfs/dbraw/zinc/42/86/92/1077428692.db2.gz LRDYPOFERYZSKD-MAUKXSAKSA-N 1 2 416.588 0.941 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494208513 1077428668 /nfs/dbraw/zinc/42/86/68/1077428668.db2.gz LRDYPOFERYZSKD-MAUKXSAKSA-N 1 2 416.588 0.941 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494208514 1077429777 /nfs/dbraw/zinc/42/97/77/1077429777.db2.gz LRDYPOFERYZSKD-QAPCUYQASA-N 1 2 416.588 0.941 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494208514 1077429760 /nfs/dbraw/zinc/42/97/60/1077429760.db2.gz LRDYPOFERYZSKD-QAPCUYQASA-N 1 2 416.588 0.941 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494208515 1077430030 /nfs/dbraw/zinc/43/00/30/1077430030.db2.gz LRDYPOFERYZSKD-YJBOKZPZSA-N 1 2 416.588 0.941 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494208515 1077430023 /nfs/dbraw/zinc/43/00/23/1077430023.db2.gz LRDYPOFERYZSKD-YJBOKZPZSA-N 1 2 416.588 0.941 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000494209910 1077429959 /nfs/dbraw/zinc/42/99/59/1077429959.db2.gz VPFIVJWQIPYBLG-PMACEKPBSA-N 1 2 416.522 0.619 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000494209910 1077429938 /nfs/dbraw/zinc/42/99/38/1077429938.db2.gz VPFIVJWQIPYBLG-PMACEKPBSA-N 1 2 416.522 0.619 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000494209911 1077429532 /nfs/dbraw/zinc/42/95/32/1077429532.db2.gz VPFIVJWQIPYBLG-UXHICEINSA-N 1 2 416.522 0.619 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000494209911 1077429522 /nfs/dbraw/zinc/42/95/22/1077429522.db2.gz VPFIVJWQIPYBLG-UXHICEINSA-N 1 2 416.522 0.619 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000494209912 1077430814 /nfs/dbraw/zinc/43/08/14/1077430814.db2.gz VPFIVJWQIPYBLG-VQTJNVASSA-N 1 2 416.522 0.619 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000494209912 1077430808 /nfs/dbraw/zinc/43/08/08/1077430808.db2.gz VPFIVJWQIPYBLG-VQTJNVASSA-N 1 2 416.522 0.619 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000494209913 1077430285 /nfs/dbraw/zinc/43/02/85/1077430285.db2.gz VPFIVJWQIPYBLG-WOJBJXKFSA-N 1 2 416.522 0.619 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000494209913 1077430261 /nfs/dbraw/zinc/43/02/61/1077430261.db2.gz VPFIVJWQIPYBLG-WOJBJXKFSA-N 1 2 416.522 0.619 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000494210336 1077430926 /nfs/dbraw/zinc/43/09/26/1077430926.db2.gz YMGHDSPXZAQDOP-CTNGQTDRSA-N 1 2 418.538 0.617 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000494210336 1077430924 /nfs/dbraw/zinc/43/09/24/1077430924.db2.gz YMGHDSPXZAQDOP-CTNGQTDRSA-N 1 2 418.538 0.617 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000494210337 1077430477 /nfs/dbraw/zinc/43/04/77/1077430477.db2.gz YMGHDSPXZAQDOP-FPOVZHCZSA-N 1 2 418.538 0.617 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000494210337 1077430440 /nfs/dbraw/zinc/43/04/40/1077430440.db2.gz YMGHDSPXZAQDOP-FPOVZHCZSA-N 1 2 418.538 0.617 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000494210338 1077430788 /nfs/dbraw/zinc/43/07/88/1077430788.db2.gz YMGHDSPXZAQDOP-PZJWPPBQSA-N 1 2 418.538 0.617 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000494210338 1077430784 /nfs/dbraw/zinc/43/07/84/1077430784.db2.gz YMGHDSPXZAQDOP-PZJWPPBQSA-N 1 2 418.538 0.617 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000494210339 1077430402 /nfs/dbraw/zinc/43/04/02/1077430402.db2.gz YMGHDSPXZAQDOP-TZIWHRDSSA-N 1 2 418.538 0.617 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000494210339 1077430379 /nfs/dbraw/zinc/43/03/79/1077430379.db2.gz YMGHDSPXZAQDOP-TZIWHRDSSA-N 1 2 418.538 0.617 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494215287 1077432577 /nfs/dbraw/zinc/43/25/77/1077432577.db2.gz HILLYNKGYKRYDH-KRWDZBQOSA-N 1 2 408.524 0.566 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494215287 1077432561 /nfs/dbraw/zinc/43/25/61/1077432561.db2.gz HILLYNKGYKRYDH-KRWDZBQOSA-N 1 2 408.524 0.566 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494215288 1077432087 /nfs/dbraw/zinc/43/20/87/1077432087.db2.gz HILLYNKGYKRYDH-QGZVFWFLSA-N 1 2 408.524 0.566 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494215288 1077432070 /nfs/dbraw/zinc/43/20/70/1077432070.db2.gz HILLYNKGYKRYDH-QGZVFWFLSA-N 1 2 408.524 0.566 20 0 HCADLO CC[C@H]1CN(CCNC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCO1 ZINC000494215932 1077432525 /nfs/dbraw/zinc/43/25/25/1077432525.db2.gz LIBHOJYRQFTTJR-FQEVSTJZSA-N 1 2 417.554 0.984 20 0 HCADLO CCn1ccnc(N2CCC(NC(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)c1=O ZINC000494217989 1077433149 /nfs/dbraw/zinc/43/31/49/1077433149.db2.gz ZDGZQPVZGDDPGA-KRWDZBQOSA-N 1 2 404.515 0.394 20 0 HCADLO CCn1ccnc(N2CCC(NC(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)c1=O ZINC000494217989 1077433138 /nfs/dbraw/zinc/43/31/38/1077433138.db2.gz ZDGZQPVZGDDPGA-KRWDZBQOSA-N 1 2 404.515 0.394 20 0 HCADLO CCn1ccnc(N2CCC(NC(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)c1=O ZINC000494217990 1077433186 /nfs/dbraw/zinc/43/31/86/1077433186.db2.gz ZDGZQPVZGDDPGA-QGZVFWFLSA-N 1 2 404.515 0.394 20 0 HCADLO CCn1ccnc(N2CCC(NC(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)c1=O ZINC000494217990 1077433182 /nfs/dbraw/zinc/43/31/82/1077433182.db2.gz ZDGZQPVZGDDPGA-QGZVFWFLSA-N 1 2 404.515 0.394 20 0 HCADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1 ZINC000494218219 1077433945 /nfs/dbraw/zinc/43/39/45/1077433945.db2.gz ARQSNALJXVTWQZ-GOSISDBHSA-N 1 2 417.510 0.169 20 0 HCADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1 ZINC000494218219 1077433924 /nfs/dbraw/zinc/43/39/24/1077433924.db2.gz ARQSNALJXVTWQZ-GOSISDBHSA-N 1 2 417.510 0.169 20 0 HCADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1 ZINC000494218220 1077433241 /nfs/dbraw/zinc/43/32/41/1077433241.db2.gz ARQSNALJXVTWQZ-SFHVURJKSA-N 1 2 417.510 0.169 20 0 HCADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1 ZINC000494218220 1077433218 /nfs/dbraw/zinc/43/32/18/1077433218.db2.gz ARQSNALJXVTWQZ-SFHVURJKSA-N 1 2 417.510 0.169 20 0 HCADLO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494218674 1077433301 /nfs/dbraw/zinc/43/33/01/1077433301.db2.gz DSYSTBFZKGCDBR-HKUYNNGSSA-N 1 2 407.559 0.578 20 0 HCADLO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494218674 1077433284 /nfs/dbraw/zinc/43/32/84/1077433284.db2.gz DSYSTBFZKGCDBR-HKUYNNGSSA-N 1 2 407.559 0.578 20 0 HCADLO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494218675 1077433835 /nfs/dbraw/zinc/43/38/35/1077433835.db2.gz DSYSTBFZKGCDBR-IEBWSBKVSA-N 1 2 407.559 0.578 20 0 HCADLO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494218675 1077433814 /nfs/dbraw/zinc/43/38/14/1077433814.db2.gz DSYSTBFZKGCDBR-IEBWSBKVSA-N 1 2 407.559 0.578 20 0 HCADLO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494218676 1077433512 /nfs/dbraw/zinc/43/35/12/1077433512.db2.gz DSYSTBFZKGCDBR-MJGOQNOKSA-N 1 2 407.559 0.578 20 0 HCADLO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494218676 1077433490 /nfs/dbraw/zinc/43/34/90/1077433490.db2.gz DSYSTBFZKGCDBR-MJGOQNOKSA-N 1 2 407.559 0.578 20 0 HCADLO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494218677 1077433020 /nfs/dbraw/zinc/43/30/20/1077433020.db2.gz DSYSTBFZKGCDBR-PKOBYXMFSA-N 1 2 407.559 0.578 20 0 HCADLO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494218677 1077433009 /nfs/dbraw/zinc/43/30/09/1077433009.db2.gz DSYSTBFZKGCDBR-PKOBYXMFSA-N 1 2 407.559 0.578 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494219216 1077434303 /nfs/dbraw/zinc/43/43/03/1077434303.db2.gz IFSXGJUUKJGVOA-RYQLBKOJSA-N 1 2 408.522 0.837 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494219216 1077434282 /nfs/dbraw/zinc/43/42/82/1077434282.db2.gz IFSXGJUUKJGVOA-RYQLBKOJSA-N 1 2 408.522 0.837 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494219217 1077434689 /nfs/dbraw/zinc/43/46/89/1077434689.db2.gz IFSXGJUUKJGVOA-SZMVWBNQSA-N 1 2 408.522 0.837 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494219217 1077434671 /nfs/dbraw/zinc/43/46/71/1077434671.db2.gz IFSXGJUUKJGVOA-SZMVWBNQSA-N 1 2 408.522 0.837 20 0 HCADLO Cc1nc2cncc(N3CCN(C(=O)NC[C@H]4C[N@H+](C5CC5)CCO4)CC3)n2n1 ZINC000494219258 1077434650 /nfs/dbraw/zinc/43/46/50/1077434650.db2.gz ILUOJUQEGYCBTC-INIZCTEOSA-N 1 2 400.487 0.128 20 0 HCADLO Cc1nc2cncc(N3CCN(C(=O)NC[C@H]4C[N@@H+](C5CC5)CCO4)CC3)n2n1 ZINC000494219258 1077434640 /nfs/dbraw/zinc/43/46/40/1077434640.db2.gz ILUOJUQEGYCBTC-INIZCTEOSA-N 1 2 400.487 0.128 20 0 HCADLO Cc1nc2cncc(N3CCN(C(=O)NC[C@@H]4C[N@H+](C5CC5)CCO4)CC3)n2n1 ZINC000494219259 1077434236 /nfs/dbraw/zinc/43/42/36/1077434236.db2.gz ILUOJUQEGYCBTC-MRXNPFEDSA-N 1 2 400.487 0.128 20 0 HCADLO Cc1nc2cncc(N3CCN(C(=O)NC[C@@H]4C[N@@H+](C5CC5)CCO4)CC3)n2n1 ZINC000494219259 1077434220 /nfs/dbraw/zinc/43/42/20/1077434220.db2.gz ILUOJUQEGYCBTC-MRXNPFEDSA-N 1 2 400.487 0.128 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1)N1CCCCCC1 ZINC000494219678 1077442267 /nfs/dbraw/zinc/44/22/67/1077442267.db2.gz KUVUSSQOKRQVBF-IBGZPJMESA-N 1 2 407.559 0.579 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1)N1CCCCCC1 ZINC000494219678 1077442250 /nfs/dbraw/zinc/44/22/50/1077442250.db2.gz KUVUSSQOKRQVBF-IBGZPJMESA-N 1 2 407.559 0.579 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1)N1CCCCCC1 ZINC000494219679 1077442700 /nfs/dbraw/zinc/44/27/00/1077442700.db2.gz KUVUSSQOKRQVBF-LJQANCHMSA-N 1 2 407.559 0.579 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1)N1CCCCCC1 ZINC000494219679 1077442682 /nfs/dbraw/zinc/44/26/82/1077442682.db2.gz KUVUSSQOKRQVBF-LJQANCHMSA-N 1 2 407.559 0.579 20 0 HCADLO O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000494219913 1077443584 /nfs/dbraw/zinc/44/35/84/1077443584.db2.gz MVQOZFWZBKDCLE-CABCVRRESA-N 1 2 404.471 0.672 20 0 HCADLO O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000494219913 1077443569 /nfs/dbraw/zinc/44/35/69/1077443569.db2.gz MVQOZFWZBKDCLE-CABCVRRESA-N 1 2 404.471 0.672 20 0 HCADLO O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000494219914 1077443532 /nfs/dbraw/zinc/44/35/32/1077443532.db2.gz MVQOZFWZBKDCLE-GJZGRUSLSA-N 1 2 404.471 0.672 20 0 HCADLO O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000494219914 1077443526 /nfs/dbraw/zinc/44/35/26/1077443526.db2.gz MVQOZFWZBKDCLE-GJZGRUSLSA-N 1 2 404.471 0.672 20 0 HCADLO O=C(NC1CC1)c1noc([C@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000494219915 1077443388 /nfs/dbraw/zinc/44/33/88/1077443388.db2.gz MVQOZFWZBKDCLE-HUUCEWRRSA-N 1 2 404.471 0.672 20 0 HCADLO O=C(NC1CC1)c1noc([C@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000494219915 1077443382 /nfs/dbraw/zinc/44/33/82/1077443382.db2.gz MVQOZFWZBKDCLE-HUUCEWRRSA-N 1 2 404.471 0.672 20 0 HCADLO O=C(NC1CC1)c1noc([C@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000494219916 1077443288 /nfs/dbraw/zinc/44/32/88/1077443288.db2.gz MVQOZFWZBKDCLE-LSDHHAIUSA-N 1 2 404.471 0.672 20 0 HCADLO O=C(NC1CC1)c1noc([C@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000494219916 1077443268 /nfs/dbraw/zinc/44/32/68/1077443268.db2.gz MVQOZFWZBKDCLE-LSDHHAIUSA-N 1 2 404.471 0.672 20 0 HCADLO CNS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@H]1C[N@H+](C3CC3)CCO1)C2 ZINC000494221127 1077444279 /nfs/dbraw/zinc/44/42/79/1077444279.db2.gz VKGYYSGYROHGLT-INIZCTEOSA-N 1 2 408.524 0.526 20 0 HCADLO CNS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@H]1C[N@@H+](C3CC3)CCO1)C2 ZINC000494221127 1077444273 /nfs/dbraw/zinc/44/42/73/1077444273.db2.gz VKGYYSGYROHGLT-INIZCTEOSA-N 1 2 408.524 0.526 20 0 HCADLO CNS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1C[N@H+](C3CC3)CCO1)C2 ZINC000494221128 1077443948 /nfs/dbraw/zinc/44/39/48/1077443948.db2.gz VKGYYSGYROHGLT-MRXNPFEDSA-N 1 2 408.524 0.526 20 0 HCADLO CNS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1C[N@@H+](C3CC3)CCO1)C2 ZINC000494221128 1077443934 /nfs/dbraw/zinc/44/39/34/1077443934.db2.gz VKGYYSGYROHGLT-MRXNPFEDSA-N 1 2 408.524 0.526 20 0 HCADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000494222127 1077444240 /nfs/dbraw/zinc/44/42/40/1077444240.db2.gz CSPVMIVKVJHEOC-GGPKGHCWSA-N 1 2 421.586 0.681 20 0 HCADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000494222127 1077444236 /nfs/dbraw/zinc/44/42/36/1077444236.db2.gz CSPVMIVKVJHEOC-GGPKGHCWSA-N 1 2 421.586 0.681 20 0 HCADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000494222128 1077443864 /nfs/dbraw/zinc/44/38/64/1077443864.db2.gz CSPVMIVKVJHEOC-NSHGMRRFSA-N 1 2 421.586 0.681 20 0 HCADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000494222128 1077443845 /nfs/dbraw/zinc/44/38/45/1077443845.db2.gz CSPVMIVKVJHEOC-NSHGMRRFSA-N 1 2 421.586 0.681 20 0 HCADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000494222129 1077444205 /nfs/dbraw/zinc/44/42/05/1077444205.db2.gz CSPVMIVKVJHEOC-QWFCFKBJSA-N 1 2 421.586 0.681 20 0 HCADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000494222129 1077444200 /nfs/dbraw/zinc/44/42/00/1077444200.db2.gz CSPVMIVKVJHEOC-QWFCFKBJSA-N 1 2 421.586 0.681 20 0 HCADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000494222130 1077444125 /nfs/dbraw/zinc/44/41/25/1077444125.db2.gz CSPVMIVKVJHEOC-WSTZPKSXSA-N 1 2 421.586 0.681 20 0 HCADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000494222130 1077444106 /nfs/dbraw/zinc/44/41/06/1077444106.db2.gz CSPVMIVKVJHEOC-WSTZPKSXSA-N 1 2 421.586 0.681 20 0 HCADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+](CCO)Cc2cccc(F)c2)CC1 ZINC000494222825 1077444973 /nfs/dbraw/zinc/44/49/73/1077444973.db2.gz IOVWVZLOBSEIKA-UHFFFAOYSA-N 1 2 408.518 0.679 20 0 HCADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+](CCO)Cc2cccc(F)c2)CC1 ZINC000494222825 1077444957 /nfs/dbraw/zinc/44/49/57/1077444957.db2.gz IOVWVZLOBSEIKA-UHFFFAOYSA-N 1 2 408.518 0.679 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1)NCc1ccccc1 ZINC000494224924 1077459546 /nfs/dbraw/zinc/45/95/46/1077459546.db2.gz WOFCKXHYKFOTKM-FQEVSTJZSA-N 1 2 415.538 0.493 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1)NCc1ccccc1 ZINC000494224924 1077459539 /nfs/dbraw/zinc/45/95/39/1077459539.db2.gz WOFCKXHYKFOTKM-FQEVSTJZSA-N 1 2 415.538 0.493 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1)NCc1ccccc1 ZINC000494224925 1077459167 /nfs/dbraw/zinc/45/91/67/1077459167.db2.gz WOFCKXHYKFOTKM-HXUWFJFHSA-N 1 2 415.538 0.493 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1)NCc1ccccc1 ZINC000494224925 1077459158 /nfs/dbraw/zinc/45/91/58/1077459158.db2.gz WOFCKXHYKFOTKM-HXUWFJFHSA-N 1 2 415.538 0.493 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1)Nc1ccccc1 ZINC000494225508 1077455179 /nfs/dbraw/zinc/45/51/79/1077455179.db2.gz APNJGADPKLGJFA-IBGZPJMESA-N 1 2 401.511 0.816 20 0 HCADLO O=C(CN1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1)Nc1ccccc1 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/nfs/dbraw/zinc/45/56/54/1077455654.db2.gz APUXZQMGMDQYBX-QGZVFWFLSA-N 1 2 416.478 0.746 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000494225514 1077455641 /nfs/dbraw/zinc/45/56/41/1077455641.db2.gz APUXZQMGMDQYBX-QGZVFWFLSA-N 1 2 416.478 0.746 20 0 HCADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494226358 1077460143 /nfs/dbraw/zinc/46/01/43/1077460143.db2.gz HEBIHTDMNDCNNZ-UHFFFAOYSA-N 1 2 407.467 0.857 20 0 HCADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494226358 1077460133 /nfs/dbraw/zinc/46/01/33/1077460133.db2.gz HEBIHTDMNDCNNZ-UHFFFAOYSA-N 1 2 407.467 0.857 20 0 HCADLO O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494227032 1077460773 /nfs/dbraw/zinc/46/07/73/1077460773.db2.gz LTHJBHUFKRKUCK-AEFFLSMTSA-N 1 2 418.494 0.473 20 0 HCADLO O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494227032 1077460757 /nfs/dbraw/zinc/46/07/57/1077460757.db2.gz 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COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000494228224 1077460726 /nfs/dbraw/zinc/46/07/26/1077460726.db2.gz ULHCKFBDMQHCMV-KRWDZBQOSA-N 1 2 404.467 0.964 20 0 HCADLO COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000494228224 1077460709 /nfs/dbraw/zinc/46/07/09/1077460709.db2.gz ULHCKFBDMQHCMV-KRWDZBQOSA-N 1 2 404.467 0.964 20 0 HCADLO COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000494228225 1077461048 /nfs/dbraw/zinc/46/10/48/1077461048.db2.gz ULHCKFBDMQHCMV-QGZVFWFLSA-N 1 2 404.467 0.964 20 0 HCADLO COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000494228225 1077461043 /nfs/dbraw/zinc/46/10/43/1077461043.db2.gz ULHCKFBDMQHCMV-QGZVFWFLSA-N 1 2 404.467 0.964 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)cc1 ZINC000494229524 1077461584 /nfs/dbraw/zinc/46/15/84/1077461584.db2.gz CXIUBUJQMVXLNS-KRWDZBQOSA-N 1 2 423.539 0.029 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)cc1 ZINC000494229524 1077461579 /nfs/dbraw/zinc/46/15/79/1077461579.db2.gz CXIUBUJQMVXLNS-KRWDZBQOSA-N 1 2 423.539 0.029 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)cc1 ZINC000494229525 1077461350 /nfs/dbraw/zinc/46/13/50/1077461350.db2.gz CXIUBUJQMVXLNS-QGZVFWFLSA-N 1 2 423.539 0.029 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)cc1 ZINC000494229525 1077461334 /nfs/dbraw/zinc/46/13/34/1077461334.db2.gz CXIUBUJQMVXLNS-QGZVFWFLSA-N 1 2 423.539 0.029 20 0 HCADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494231236 1077465627 /nfs/dbraw/zinc/46/56/27/1077465627.db2.gz QBJSKFVOBZXZBI-UHFFFAOYSA-N 1 2 409.483 0.626 20 0 HCADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494231236 1077465618 /nfs/dbraw/zinc/46/56/18/1077465618.db2.gz QBJSKFVOBZXZBI-UHFFFAOYSA-N 1 2 409.483 0.626 20 0 HCADLO 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CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000494239050 1077468843 /nfs/dbraw/zinc/46/88/43/1077468843.db2.gz VOWIUAASKJISKQ-HOTGVXAUSA-N 1 2 420.510 0.774 20 0 HCADLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000494239051 1077468712 /nfs/dbraw/zinc/46/87/12/1077468712.db2.gz VOWIUAASKJISKQ-HZPDHXFCSA-N 1 2 420.510 0.774 20 0 HCADLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000494239052 1077468801 /nfs/dbraw/zinc/46/88/01/1077468801.db2.gz VOWIUAASKJISKQ-JKSUJKDBSA-N 1 2 420.510 0.774 20 0 HCADLO CS(=O)(=O)N1CC(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000494242851 1077462341 /nfs/dbraw/zinc/46/23/41/1077462341.db2.gz VWMQRNOMCYQXTO-UHFFFAOYSA-N 1 2 405.480 0.533 20 0 HCADLO Cc1c(Cl)cccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000494243731 1077462701 /nfs/dbraw/zinc/46/27/01/1077462701.db2.gz CIYHOYHRTQTPOI-UHFFFAOYSA-N 1 2 400.932 0.898 20 0 HCADLO Cn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(Br)c(F)c2)c(=O)n(C)c1=O 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BQTWNUPTFUZTSB-HNNXBMFYSA-N 1 2 423.457 0.765 20 0 HCADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@H](O)C(F)(F)F ZINC000494255582 1077471535 /nfs/dbraw/zinc/47/15/35/1077471535.db2.gz BQTWNUPTFUZTSB-HNNXBMFYSA-N 1 2 423.457 0.765 20 0 HCADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@@H](O)C(F)(F)F ZINC000494255583 1077471699 /nfs/dbraw/zinc/47/16/99/1077471699.db2.gz BQTWNUPTFUZTSB-OAHLLOKOSA-N 1 2 423.457 0.765 20 0 HCADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@@H](O)C(F)(F)F ZINC000494255583 1077471683 /nfs/dbraw/zinc/47/16/83/1077471683.db2.gz BQTWNUPTFUZTSB-OAHLLOKOSA-N 1 2 423.457 0.765 20 0 HCADLO O=C(CCc1ccc(=O)[nH]c1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494270494 1077482225 /nfs/dbraw/zinc/48/22/25/1077482225.db2.gz IBMGWZVATIYREG-UHFFFAOYSA-N 1 2 419.507 0.383 20 0 HCADLO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCO1 ZINC000494271941 1077475265 /nfs/dbraw/zinc/47/52/65/1077475265.db2.gz UYTOHPRJIDCLQH-GOSISDBHSA-N 1 2 418.494 0.163 20 0 HCADLO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCO1 ZINC000494271942 1077475359 /nfs/dbraw/zinc/47/53/59/1077475359.db2.gz UYTOHPRJIDCLQH-SFHVURJKSA-N 1 2 418.494 0.163 20 0 HCADLO CN1C(=O)C[C@H]([NH2+]Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@H]1c1ccc(F)c(F)c1 ZINC000494277363 1077476561 /nfs/dbraw/zinc/47/65/61/1077476561.db2.gz QMWNFXIZLLHQBK-BLLLJJGKSA-N 1 2 418.404 0.300 20 0 HCADLO CN1C(=O)C[C@H]([NH2+]Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000494277364 1077476597 /nfs/dbraw/zinc/47/65/97/1077476597.db2.gz QMWNFXIZLLHQBK-LRDDRELGSA-N 1 2 418.404 0.300 20 0 HCADLO CN1C(=O)C[C@@H]([NH2+]Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@H]1c1ccc(F)c(F)c1 ZINC000494277365 1077476361 /nfs/dbraw/zinc/47/63/61/1077476361.db2.gz QMWNFXIZLLHQBK-MLGOLLRUSA-N 1 2 418.404 0.300 20 0 HCADLO CN1C(=O)C[C@@H]([NH2+]Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000494277366 1077476483 /nfs/dbraw/zinc/47/64/83/1077476483.db2.gz QMWNFXIZLLHQBK-WBMJQRKESA-N 1 2 418.404 0.300 20 0 HCADLO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCO1 ZINC000494281549 1077484190 /nfs/dbraw/zinc/48/41/90/1077484190.db2.gz FXFJNHSMAPREQJ-CRAIPNDOSA-N 1 2 419.478 0.809 20 0 HCADLO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCO1 ZINC000494281550 1077484239 /nfs/dbraw/zinc/48/42/39/1077484239.db2.gz FXFJNHSMAPREQJ-MAUKXSAKSA-N 1 2 419.478 0.809 20 0 HCADLO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCO1 ZINC000494281551 1077484928 /nfs/dbraw/zinc/48/49/28/1077484928.db2.gz FXFJNHSMAPREQJ-QAPCUYQASA-N 1 2 419.478 0.809 20 0 HCADLO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCO1 ZINC000494281552 1077485025 /nfs/dbraw/zinc/48/50/25/1077485025.db2.gz FXFJNHSMAPREQJ-YJBOKZPZSA-N 1 2 419.478 0.809 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+](CCO)Cc2cccc(F)c2)c(=O)n(C)c1=O ZINC000494284354 1077486937 /nfs/dbraw/zinc/48/69/37/1077486937.db2.gz FEEZJWNKFNIQCS-UHFFFAOYSA-N 1 2 406.458 0.602 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@H+](CCO)Cc2cccc(F)c2)c(=O)n(C)c1=O ZINC000494284354 1077486921 /nfs/dbraw/zinc/48/69/21/1077486921.db2.gz FEEZJWNKFNIQCS-UHFFFAOYSA-N 1 2 406.458 0.602 20 0 HCADLO CC(=O)N1CCN(C(=O)C[N@@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000494291382 1077489942 /nfs/dbraw/zinc/48/99/42/1077489942.db2.gz WBJJRWMBCGZMMD-UHFFFAOYSA-N 1 2 404.330 0.996 20 0 HCADLO CC(=O)N1CCN(C(=O)C[N@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000494291382 1077489931 /nfs/dbraw/zinc/48/99/31/1077489931.db2.gz WBJJRWMBCGZMMD-UHFFFAOYSA-N 1 2 404.330 0.996 20 0 HCADLO C[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)n1cccn1 ZINC000494297567 1077492241 /nfs/dbraw/zinc/49/22/41/1077492241.db2.gz GYXXJSXVLLVEDF-INIZCTEOSA-N 1 2 412.494 0.346 20 0 HCADLO C[C@H](C(=O)N(C)CC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)n1cccn1 ZINC000494297568 1077492829 /nfs/dbraw/zinc/49/28/29/1077492829.db2.gz GYXXJSXVLLVEDF-MRXNPFEDSA-N 1 2 412.494 0.346 20 0 HCADLO C[C@@]1(CNS(=O)(=O)N2CCS(=O)(=O)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000494321917 1077507078 /nfs/dbraw/zinc/50/70/78/1077507078.db2.gz CMKIUYCDPQEMBP-KRWDZBQOSA-N 1 2 401.554 0.606 20 0 HCADLO C[C@@]1(CNS(=O)(=O)N2CCS(=O)(=O)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000494321917 1077507055 /nfs/dbraw/zinc/50/70/55/1077507055.db2.gz CMKIUYCDPQEMBP-KRWDZBQOSA-N 1 2 401.554 0.606 20 0 HCADLO C[C@]1(CNS(=O)(=O)N2CCS(=O)(=O)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000494321918 1077507331 /nfs/dbraw/zinc/50/73/31/1077507331.db2.gz CMKIUYCDPQEMBP-QGZVFWFLSA-N 1 2 401.554 0.606 20 0 HCADLO C[C@]1(CNS(=O)(=O)N2CCS(=O)(=O)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000494321918 1077507326 /nfs/dbraw/zinc/50/73/26/1077507326.db2.gz CMKIUYCDPQEMBP-QGZVFWFLSA-N 1 2 401.554 0.606 20 0 HCADLO C[C@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[NH+]1CCN(C)CC1 ZINC000494349050 1077516194 /nfs/dbraw/zinc/51/61/94/1077516194.db2.gz MLHJGZGIHZQLCE-CYBMUJFWSA-N 1 2 414.494 0.437 20 0 HCADLO C[C@@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[NH+]1CCN(C)CC1 ZINC000494349053 1077516286 /nfs/dbraw/zinc/51/62/86/1077516286.db2.gz MLHJGZGIHZQLCE-ZDUSSCGKSA-N 1 2 414.494 0.437 20 0 HCADLO CC1CCC(NC(=O)CN2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)CC1 ZINC000494363160 1077513811 /nfs/dbraw/zinc/51/38/11/1077513811.db2.gz CSQRWZJULZLQPW-AFMYVXGZSA-N 1 2 421.586 0.872 20 0 HCADLO CC1CCC(NC(=O)CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)CC1 ZINC000494363160 1077513798 /nfs/dbraw/zinc/51/37/98/1077513798.db2.gz CSQRWZJULZLQPW-AFMYVXGZSA-N 1 2 421.586 0.872 20 0 HCADLO CC1CCC(NC(=O)CN2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)CC1 ZINC000494363171 1077513936 /nfs/dbraw/zinc/51/39/36/1077513936.db2.gz CSQRWZJULZLQPW-QLOJAFMTSA-N 1 2 421.586 0.872 20 0 HCADLO CC1CCC(NC(=O)CN2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)CC1 ZINC000494363171 1077513931 /nfs/dbraw/zinc/51/39/31/1077513931.db2.gz CSQRWZJULZLQPW-QLOJAFMTSA-N 1 2 421.586 0.872 20 0 HCADLO COCCc1cc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000494370352 1077515617 /nfs/dbraw/zinc/51/56/17/1077515617.db2.gz QSKGPSYLNYUZMZ-UHFFFAOYSA-N 1 2 415.498 0.864 20 0 HCADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494375370 1077521138 /nfs/dbraw/zinc/52/11/38/1077521138.db2.gz DXPIOONQZWPPGZ-HNNXBMFYSA-N 1 2 406.487 0.734 20 0 HCADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494375370 1077521133 /nfs/dbraw/zinc/52/11/33/1077521133.db2.gz DXPIOONQZWPPGZ-HNNXBMFYSA-N 1 2 406.487 0.734 20 0 HCADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494375371 1077521538 /nfs/dbraw/zinc/52/15/38/1077521538.db2.gz DXPIOONQZWPPGZ-OAHLLOKOSA-N 1 2 406.487 0.734 20 0 HCADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494375371 1077521512 /nfs/dbraw/zinc/52/15/12/1077521512.db2.gz DXPIOONQZWPPGZ-OAHLLOKOSA-N 1 2 406.487 0.734 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)c2)CC1 ZINC000494375467 1077521645 /nfs/dbraw/zinc/52/16/45/1077521645.db2.gz QBLMDNHPJKJOFQ-GOSISDBHSA-N 1 2 414.428 0.898 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)c2)CC1 ZINC000494375468 1077521123 /nfs/dbraw/zinc/52/11/23/1077521123.db2.gz QBLMDNHPJKJOFQ-SFHVURJKSA-N 1 2 414.428 0.898 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000494384824 1077525857 /nfs/dbraw/zinc/52/58/57/1077525857.db2.gz IPLKPJRFIKGDBK-INIZCTEOSA-N 1 2 400.545 0.449 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000494384824 1077525841 /nfs/dbraw/zinc/52/58/41/1077525841.db2.gz IPLKPJRFIKGDBK-INIZCTEOSA-N 1 2 400.545 0.449 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000494384831 1077525997 /nfs/dbraw/zinc/52/59/97/1077525997.db2.gz IPLKPJRFIKGDBK-MRXNPFEDSA-N 1 2 400.545 0.449 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000494384831 1077525988 /nfs/dbraw/zinc/52/59/88/1077525988.db2.gz IPLKPJRFIKGDBK-MRXNPFEDSA-N 1 2 400.545 0.449 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494396674 1077527765 /nfs/dbraw/zinc/52/77/65/1077527765.db2.gz XRZPZGMCHCHPKD-DOTOQJQBSA-N 1 2 422.530 0.858 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494396674 1077527749 /nfs/dbraw/zinc/52/77/49/1077527749.db2.gz XRZPZGMCHCHPKD-DOTOQJQBSA-N 1 2 422.530 0.858 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494396676 1077527333 /nfs/dbraw/zinc/52/73/33/1077527333.db2.gz XRZPZGMCHCHPKD-NVXWUHKLSA-N 1 2 422.530 0.858 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494396676 1077527320 /nfs/dbraw/zinc/52/73/20/1077527320.db2.gz XRZPZGMCHCHPKD-NVXWUHKLSA-N 1 2 422.530 0.858 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494396678 1077527479 /nfs/dbraw/zinc/52/74/79/1077527479.db2.gz XRZPZGMCHCHPKD-RDJZCZTQSA-N 1 2 422.530 0.858 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494396678 1077527470 /nfs/dbraw/zinc/52/74/70/1077527470.db2.gz XRZPZGMCHCHPKD-RDJZCZTQSA-N 1 2 422.530 0.858 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)n1 ZINC000494396680 1077527567 /nfs/dbraw/zinc/52/75/67/1077527567.db2.gz XRZPZGMCHCHPKD-WBVHZDCISA-N 1 2 422.530 0.858 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)n1 ZINC000494396680 1077527557 /nfs/dbraw/zinc/52/75/57/1077527557.db2.gz XRZPZGMCHCHPKD-WBVHZDCISA-N 1 2 422.530 0.858 20 0 HCADLO COC(=O)C(C)(C)N1CC[NH+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000494397151 1077528035 /nfs/dbraw/zinc/52/80/35/1077528035.db2.gz ZBZLZUZJNSXCDG-UHFFFAOYSA-N 1 2 404.511 0.460 20 0 HCADLO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000494398909 1077528722 /nfs/dbraw/zinc/52/87/22/1077528722.db2.gz RHKURXTWLXQBIY-KRWDZBQOSA-N 1 2 403.527 0.688 20 0 HCADLO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000494398910 1077528726 /nfs/dbraw/zinc/52/87/26/1077528726.db2.gz RHKURXTWLXQBIY-QGZVFWFLSA-N 1 2 403.527 0.688 20 0 HCADLO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1 ZINC000494401227 1077529037 /nfs/dbraw/zinc/52/90/37/1077529037.db2.gz ZDTVCTBNKXGKAU-KRWDZBQOSA-N 1 2 418.538 0.999 20 0 HCADLO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1 ZINC000494401228 1077529109 /nfs/dbraw/zinc/52/91/09/1077529109.db2.gz ZDTVCTBNKXGKAU-QGZVFWFLSA-N 1 2 418.538 0.999 20 0 HCADLO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000494405024 1077529923 /nfs/dbraw/zinc/52/99/23/1077529923.db2.gz LNWALXYAQQFDDY-INIZCTEOSA-N 1 2 404.515 0.083 20 0 HCADLO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000494405025 1077530128 /nfs/dbraw/zinc/53/01/28/1077530128.db2.gz LNWALXYAQQFDDY-MRXNPFEDSA-N 1 2 404.515 0.083 20 0 HCADLO CN(Cc1ncnn1CC(F)F)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000494405906 1077530567 /nfs/dbraw/zinc/53/05/67/1077530567.db2.gz OONXVFNAZNIZMS-INIZCTEOSA-N 1 2 404.487 0.893 20 0 HCADLO CN(Cc1ncnn1CC(F)F)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000494405910 1077530343 /nfs/dbraw/zinc/53/03/43/1077530343.db2.gz OONXVFNAZNIZMS-MRXNPFEDSA-N 1 2 404.487 0.893 20 0 HCADLO C[C@@]1(c2cccc(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)c2)NC(=O)NC1=O ZINC000494407277 1077530890 /nfs/dbraw/zinc/53/08/90/1077530890.db2.gz SQNVTGDNPMRWLT-NRFANRHFSA-N 1 2 423.477 0.083 20 0 HCADLO C[C@]1(c2cccc(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)c2)NC(=O)NC1=O ZINC000494407278 1077530788 /nfs/dbraw/zinc/53/07/88/1077530788.db2.gz SQNVTGDNPMRWLT-OAQYLSRUSA-N 1 2 423.477 0.083 20 0 HCADLO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000494408364 1077530872 /nfs/dbraw/zinc/53/08/72/1077530872.db2.gz WZYDJFCVVLXOKG-INIZCTEOSA-N 1 2 420.510 0.522 20 0 HCADLO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000494408365 1077530954 /nfs/dbraw/zinc/53/09/54/1077530954.db2.gz WZYDJFCVVLXOKG-MRXNPFEDSA-N 1 2 420.510 0.522 20 0 HCADLO CC(C)(C)S(=O)(=O)N1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000494409920 1077531620 /nfs/dbraw/zinc/53/16/20/1077531620.db2.gz HYZINYZEUNDAFL-UHFFFAOYSA-N 1 2 411.590 0.221 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000494410257 1077531297 /nfs/dbraw/zinc/53/12/97/1077531297.db2.gz JFYOIRDXINUZFI-MSOLQXFVSA-N 1 2 414.572 0.886 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000494410257 1077531290 /nfs/dbraw/zinc/53/12/90/1077531290.db2.gz JFYOIRDXINUZFI-MSOLQXFVSA-N 1 2 414.572 0.886 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000494410258 1077531327 /nfs/dbraw/zinc/53/13/27/1077531327.db2.gz JFYOIRDXINUZFI-QZTJIDSGSA-N 1 2 414.572 0.886 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000494410258 1077531321 /nfs/dbraw/zinc/53/13/21/1077531321.db2.gz JFYOIRDXINUZFI-QZTJIDSGSA-N 1 2 414.572 0.886 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000494410259 1077531199 /nfs/dbraw/zinc/53/11/99/1077531199.db2.gz JFYOIRDXINUZFI-ROUUACIJSA-N 1 2 414.572 0.886 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000494410259 1077531188 /nfs/dbraw/zinc/53/11/88/1077531188.db2.gz JFYOIRDXINUZFI-ROUUACIJSA-N 1 2 414.572 0.886 20 0 HCADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000494410260 1077531347 /nfs/dbraw/zinc/53/13/47/1077531347.db2.gz JFYOIRDXINUZFI-ZWKOTPCHSA-N 1 2 414.572 0.886 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000494410260 1077531339 /nfs/dbraw/zinc/53/13/39/1077531339.db2.gz JFYOIRDXINUZFI-ZWKOTPCHSA-N 1 2 414.572 0.886 20 0 HCADLO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCCO1 ZINC000494411330 1077531849 /nfs/dbraw/zinc/53/18/49/1077531849.db2.gz BGTFZZPKKOEIOZ-GOSISDBHSA-N 1 2 417.510 0.681 20 0 HCADLO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCCO1 ZINC000494411331 1077531772 /nfs/dbraw/zinc/53/17/72/1077531772.db2.gz BGTFZZPKKOEIOZ-SFHVURJKSA-N 1 2 417.510 0.681 20 0 HCADLO CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000494417560 1077532789 /nfs/dbraw/zinc/53/27/89/1077532789.db2.gz MSEJFXCMPSHQPJ-FQEVSTJZSA-N 1 2 417.514 0.313 20 0 HCADLO CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000494417561 1077533154 /nfs/dbraw/zinc/53/31/54/1077533154.db2.gz MSEJFXCMPSHQPJ-HXUWFJFHSA-N 1 2 417.514 0.313 20 0 HCADLO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000494424208 1077535715 /nfs/dbraw/zinc/53/57/15/1077535715.db2.gz IEFFSCVTOYDBAE-BHYGNILZSA-N 1 2 410.494 0.795 20 0 HCADLO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000494424208 1077535708 /nfs/dbraw/zinc/53/57/08/1077535708.db2.gz IEFFSCVTOYDBAE-BHYGNILZSA-N 1 2 410.494 0.795 20 0 HCADLO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000494424210 1077536028 /nfs/dbraw/zinc/53/60/28/1077536028.db2.gz IEFFSCVTOYDBAE-XIRDDKMYSA-N 1 2 410.494 0.795 20 0 HCADLO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000494424210 1077536021 /nfs/dbraw/zinc/53/60/21/1077536021.db2.gz IEFFSCVTOYDBAE-XIRDDKMYSA-N 1 2 410.494 0.795 20 0 HCADLO Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CCO2)n1 ZINC000494428476 1077536814 /nfs/dbraw/zinc/53/68/14/1077536814.db2.gz WFUHNQQUOLYGJC-GOSISDBHSA-N 1 2 409.450 0.947 20 0 HCADLO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CCO2)n1 ZINC000494428478 1077536862 /nfs/dbraw/zinc/53/68/62/1077536862.db2.gz WFUHNQQUOLYGJC-SFHVURJKSA-N 1 2 409.450 0.947 20 0 HCADLO COC(=O)C(C)(C)N1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000494428850 1077537272 /nfs/dbraw/zinc/53/72/72/1077537272.db2.gz JDKYECLISQTVIH-UHFFFAOYSA-N 1 2 408.568 0.962 20 0 HCADLO CS(=O)(=O)CC1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000494432650 1077538433 /nfs/dbraw/zinc/53/84/33/1077538433.db2.gz HVHHYNLDSMIHJK-MSOLQXFVSA-N 1 2 409.552 0.993 20 0 HCADLO CS(=O)(=O)CC1(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000494432650 1077538427 /nfs/dbraw/zinc/53/84/27/1077538427.db2.gz HVHHYNLDSMIHJK-MSOLQXFVSA-N 1 2 409.552 0.993 20 0 HCADLO CS(=O)(=O)CC1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000494432651 1077538654 /nfs/dbraw/zinc/53/86/54/1077538654.db2.gz HVHHYNLDSMIHJK-QZTJIDSGSA-N 1 2 409.552 0.993 20 0 HCADLO CS(=O)(=O)CC1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000494432651 1077538647 /nfs/dbraw/zinc/53/86/47/1077538647.db2.gz HVHHYNLDSMIHJK-QZTJIDSGSA-N 1 2 409.552 0.993 20 0 HCADLO CS(=O)(=O)CC1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000494432652 1077538569 /nfs/dbraw/zinc/53/85/69/1077538569.db2.gz HVHHYNLDSMIHJK-ROUUACIJSA-N 1 2 409.552 0.993 20 0 HCADLO CS(=O)(=O)CC1(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000494432652 1077538561 /nfs/dbraw/zinc/53/85/61/1077538561.db2.gz HVHHYNLDSMIHJK-ROUUACIJSA-N 1 2 409.552 0.993 20 0 HCADLO CS(=O)(=O)CC1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000494432653 1077538402 /nfs/dbraw/zinc/53/84/02/1077538402.db2.gz HVHHYNLDSMIHJK-ZWKOTPCHSA-N 1 2 409.552 0.993 20 0 HCADLO CS(=O)(=O)CC1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000494432653 1077538399 /nfs/dbraw/zinc/53/83/99/1077538399.db2.gz HVHHYNLDSMIHJK-ZWKOTPCHSA-N 1 2 409.552 0.993 20 0 HCADLO COC(=O)C(C)(C)N1CCN(C/C=C/C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000494439181 1077544795 /nfs/dbraw/zinc/54/47/95/1077544795.db2.gz TYKMTFDWDDMUPZ-BQYQJAHWSA-N 1 2 424.586 0.681 20 0 HCADLO COC(=O)C(C)(C)N1CCN(C/C=C\C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000494439186 1077545579 /nfs/dbraw/zinc/54/55/79/1077545579.db2.gz TYKMTFDWDDMUPZ-FPLPWBNLSA-N 1 2 424.586 0.681 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)cc2)C[C@H](C)O1 ZINC000494454925 1077542515 /nfs/dbraw/zinc/54/25/15/1077542515.db2.gz UGSLYZXEHFZQRP-DAYGRLMNSA-N 1 2 423.535 0.880 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)cc2)C[C@H](C)O1 ZINC000494454925 1077542506 /nfs/dbraw/zinc/54/25/06/1077542506.db2.gz UGSLYZXEHFZQRP-DAYGRLMNSA-N 1 2 423.535 0.880 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)cc2)C[C@@H](C)O1 ZINC000494454935 1077542694 /nfs/dbraw/zinc/54/26/94/1077542694.db2.gz UGSLYZXEHFZQRP-IIDMSEBBSA-N 1 2 423.535 0.880 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)cc2)C[C@@H](C)O1 ZINC000494454935 1077542682 /nfs/dbraw/zinc/54/26/82/1077542682.db2.gz UGSLYZXEHFZQRP-IIDMSEBBSA-N 1 2 423.535 0.880 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)cc2)C[C@@H](C)O1 ZINC000494454937 1077542732 /nfs/dbraw/zinc/54/27/32/1077542732.db2.gz UGSLYZXEHFZQRP-RKVPGOIHSA-N 1 2 423.535 0.880 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)cc2)C[C@@H](C)O1 ZINC000494454937 1077542720 /nfs/dbraw/zinc/54/27/20/1077542720.db2.gz UGSLYZXEHFZQRP-RKVPGOIHSA-N 1 2 423.535 0.880 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)cc2)C[C@H](C)O1 ZINC000494454938 1077542601 /nfs/dbraw/zinc/54/26/01/1077542601.db2.gz UGSLYZXEHFZQRP-RVKKMQEKSA-N 1 2 423.535 0.880 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)cc2)C[C@H](C)O1 ZINC000494454938 1077542593 /nfs/dbraw/zinc/54/25/93/1077542593.db2.gz UGSLYZXEHFZQRP-RVKKMQEKSA-N 1 2 423.535 0.880 20 0 HCADLO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494459364 1077543592 /nfs/dbraw/zinc/54/35/92/1077543592.db2.gz UTPVQMZUQQDATC-MOPGFXCFSA-N 1 2 404.511 0.523 20 0 HCADLO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494459364 1077543583 /nfs/dbraw/zinc/54/35/83/1077543583.db2.gz UTPVQMZUQQDATC-MOPGFXCFSA-N 1 2 404.511 0.523 20 0 HCADLO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494459365 1077543450 /nfs/dbraw/zinc/54/34/50/1077543450.db2.gz UTPVQMZUQQDATC-OALUTQOASA-N 1 2 404.511 0.523 20 0 HCADLO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494459365 1077543446 /nfs/dbraw/zinc/54/34/46/1077543446.db2.gz UTPVQMZUQQDATC-OALUTQOASA-N 1 2 404.511 0.523 20 0 HCADLO O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494460370 1077543666 /nfs/dbraw/zinc/54/36/66/1077543666.db2.gz ZAUIDULKPWTMLP-KBPBESRZSA-N 1 2 403.526 0.045 20 0 HCADLO O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494460370 1077543657 /nfs/dbraw/zinc/54/36/57/1077543657.db2.gz ZAUIDULKPWTMLP-KBPBESRZSA-N 1 2 403.526 0.045 20 0 HCADLO O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494460471 1077543703 /nfs/dbraw/zinc/54/37/03/1077543703.db2.gz ZAUIDULKPWTMLP-KGLIPLIRSA-N 1 2 403.526 0.045 20 0 HCADLO O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494460471 1077543689 /nfs/dbraw/zinc/54/36/89/1077543689.db2.gz ZAUIDULKPWTMLP-KGLIPLIRSA-N 1 2 403.526 0.045 20 0 HCADLO O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494460472 1077543494 /nfs/dbraw/zinc/54/34/94/1077543494.db2.gz ZAUIDULKPWTMLP-UONOGXRCSA-N 1 2 403.526 0.045 20 0 HCADLO O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494460472 1077543483 /nfs/dbraw/zinc/54/34/83/1077543483.db2.gz ZAUIDULKPWTMLP-UONOGXRCSA-N 1 2 403.526 0.045 20 0 HCADLO O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494460473 1077543404 /nfs/dbraw/zinc/54/34/04/1077543404.db2.gz ZAUIDULKPWTMLP-ZIAGYGMSSA-N 1 2 403.526 0.045 20 0 HCADLO O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494460473 1077543398 /nfs/dbraw/zinc/54/33/98/1077543398.db2.gz ZAUIDULKPWTMLP-ZIAGYGMSSA-N 1 2 403.526 0.045 20 0 HCADLO CC(C)[C@@H](CO)[N@@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000494534873 1077553758 /nfs/dbraw/zinc/55/37/58/1077553758.db2.gz WSJYGQXBEYXDMX-DLBZAZTESA-N 1 2 411.524 0.518 20 0 HCADLO CC(C)[C@@H](CO)[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000494534873 1077553749 /nfs/dbraw/zinc/55/37/49/1077553749.db2.gz WSJYGQXBEYXDMX-DLBZAZTESA-N 1 2 411.524 0.518 20 0 HCADLO CC(C)[C@@H](CO)[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000494534981 1077554223 /nfs/dbraw/zinc/55/42/23/1077554223.db2.gz WSJYGQXBEYXDMX-IAGOWNOFSA-N 1 2 411.524 0.518 20 0 HCADLO CC(C)[C@@H](CO)[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000494534981 1077554214 /nfs/dbraw/zinc/55/42/14/1077554214.db2.gz WSJYGQXBEYXDMX-IAGOWNOFSA-N 1 2 411.524 0.518 20 0 HCADLO CC(C)[C@H](CO)[N@@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000494534982 1077554074 /nfs/dbraw/zinc/55/40/74/1077554074.db2.gz WSJYGQXBEYXDMX-IRXDYDNUSA-N 1 2 411.524 0.518 20 0 HCADLO CC(C)[C@H](CO)[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000494534982 1077554064 /nfs/dbraw/zinc/55/40/64/1077554064.db2.gz WSJYGQXBEYXDMX-IRXDYDNUSA-N 1 2 411.524 0.518 20 0 HCADLO CC(C)[C@H](CO)[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000494534983 1077554297 /nfs/dbraw/zinc/55/42/97/1077554297.db2.gz WSJYGQXBEYXDMX-SJORKVTESA-N 1 2 411.524 0.518 20 0 HCADLO CC(C)[C@H](CO)[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000494534983 1077554290 /nfs/dbraw/zinc/55/42/90/1077554290.db2.gz WSJYGQXBEYXDMX-SJORKVTESA-N 1 2 411.524 0.518 20 0 HCADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000494552475 1077560747 /nfs/dbraw/zinc/56/07/47/1077560747.db2.gz KXFZAZCMMMHLJC-AWEZNQCLSA-N 1 2 415.512 0.958 20 0 HCADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000494552475 1077560743 /nfs/dbraw/zinc/56/07/43/1077560743.db2.gz KXFZAZCMMMHLJC-AWEZNQCLSA-N 1 2 415.512 0.958 20 0 HCADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000494552476 1077560800 /nfs/dbraw/zinc/56/08/00/1077560800.db2.gz KXFZAZCMMMHLJC-CQSZACIVSA-N 1 2 415.512 0.958 20 0 HCADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000494552476 1077560796 /nfs/dbraw/zinc/56/07/96/1077560796.db2.gz KXFZAZCMMMHLJC-CQSZACIVSA-N 1 2 415.512 0.958 20 0 HCADLO CCOC(=O)C1(O)CC[NH+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CC1 ZINC000494557996 1077557479 /nfs/dbraw/zinc/55/74/79/1077557479.db2.gz OHQQNXXJJIBSRS-KRWDZBQOSA-N 1 2 404.463 0.503 20 0 HCADLO CCOC(=O)C1(O)CC[NH+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CC1 ZINC000494557997 1077557361 /nfs/dbraw/zinc/55/73/61/1077557361.db2.gz OHQQNXXJJIBSRS-QGZVFWFLSA-N 1 2 404.463 0.503 20 0 HCADLO O=C(C[N@H+](CCCO)[C@@H]1CCc2ccccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000494558165 1077557384 /nfs/dbraw/zinc/55/73/84/1077557384.db2.gz DNXAUKUFDJCUCS-DOTOQJQBSA-N 1 2 409.508 0.371 20 0 HCADLO O=C(C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000494558165 1077557377 /nfs/dbraw/zinc/55/73/77/1077557377.db2.gz DNXAUKUFDJCUCS-DOTOQJQBSA-N 1 2 409.508 0.371 20 0 HCADLO O=C(C[N@H+](CCCO)[C@@H]1CCc2ccccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000494558166 1077557302 /nfs/dbraw/zinc/55/73/02/1077557302.db2.gz DNXAUKUFDJCUCS-NVXWUHKLSA-N 1 2 409.508 0.371 20 0 HCADLO O=C(C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000494558166 1077557290 /nfs/dbraw/zinc/55/72/90/1077557290.db2.gz DNXAUKUFDJCUCS-NVXWUHKLSA-N 1 2 409.508 0.371 20 0 HCADLO O=C(C[N@H+](CCCO)[C@H]1CCc2ccccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000494558167 1077557417 /nfs/dbraw/zinc/55/74/17/1077557417.db2.gz DNXAUKUFDJCUCS-RDJZCZTQSA-N 1 2 409.508 0.371 20 0 HCADLO O=C(C[N@@H+](CCCO)[C@H]1CCc2ccccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000494558167 1077557411 /nfs/dbraw/zinc/55/74/11/1077557411.db2.gz DNXAUKUFDJCUCS-RDJZCZTQSA-N 1 2 409.508 0.371 20 0 HCADLO O=C(C[N@H+](CCCO)[C@H]1CCc2ccccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000494558168 1077557332 /nfs/dbraw/zinc/55/73/32/1077557332.db2.gz DNXAUKUFDJCUCS-WBVHZDCISA-N 1 2 409.508 0.371 20 0 HCADLO O=C(C[N@@H+](CCCO)[C@H]1CCc2ccccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000494558168 1077557324 /nfs/dbraw/zinc/55/73/24/1077557324.db2.gz DNXAUKUFDJCUCS-WBVHZDCISA-N 1 2 409.508 0.371 20 0 HCADLO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCCS(C)(=O)=O ZINC000494558775 1077557445 /nfs/dbraw/zinc/55/74/45/1077557445.db2.gz AXWXODFZALZRSC-KRWDZBQOSA-N 1 2 404.554 0.320 20 0 HCADLO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCCS(C)(=O)=O ZINC000494558775 1077557440 /nfs/dbraw/zinc/55/74/40/1077557440.db2.gz AXWXODFZALZRSC-KRWDZBQOSA-N 1 2 404.554 0.320 20 0 HCADLO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCCS(C)(=O)=O ZINC000494558776 1077557505 /nfs/dbraw/zinc/55/75/05/1077557505.db2.gz AXWXODFZALZRSC-QGZVFWFLSA-N 1 2 404.554 0.320 20 0 HCADLO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCCS(C)(=O)=O ZINC000494558776 1077557500 /nfs/dbraw/zinc/55/75/00/1077557500.db2.gz AXWXODFZALZRSC-QGZVFWFLSA-N 1 2 404.554 0.320 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000494568923 1077559052 /nfs/dbraw/zinc/55/90/52/1077559052.db2.gz CZMZEFRNQCVYSU-CVEARBPZSA-N 1 2 404.577 0.799 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000494568923 1077559044 /nfs/dbraw/zinc/55/90/44/1077559044.db2.gz CZMZEFRNQCVYSU-CVEARBPZSA-N 1 2 404.577 0.799 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000494568925 1077559152 /nfs/dbraw/zinc/55/91/52/1077559152.db2.gz CZMZEFRNQCVYSU-HOTGVXAUSA-N 1 2 404.577 0.799 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000494568925 1077559149 /nfs/dbraw/zinc/55/91/49/1077559149.db2.gz CZMZEFRNQCVYSU-HOTGVXAUSA-N 1 2 404.577 0.799 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000494568926 1077559077 /nfs/dbraw/zinc/55/90/77/1077559077.db2.gz CZMZEFRNQCVYSU-HZPDHXFCSA-N 1 2 404.577 0.799 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000494568926 1077559067 /nfs/dbraw/zinc/55/90/67/1077559067.db2.gz CZMZEFRNQCVYSU-HZPDHXFCSA-N 1 2 404.577 0.799 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000494568928 1077559128 /nfs/dbraw/zinc/55/91/28/1077559128.db2.gz CZMZEFRNQCVYSU-JKSUJKDBSA-N 1 2 404.577 0.799 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000494568928 1077559122 /nfs/dbraw/zinc/55/91/22/1077559122.db2.gz CZMZEFRNQCVYSU-JKSUJKDBSA-N 1 2 404.577 0.799 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000494571990 1077559415 /nfs/dbraw/zinc/55/94/15/1077559415.db2.gz VKBYPQKUQCPMTM-BRWVUGGUSA-N 1 2 402.495 0.926 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000494571990 1077559409 /nfs/dbraw/zinc/55/94/09/1077559409.db2.gz VKBYPQKUQCPMTM-BRWVUGGUSA-N 1 2 402.495 0.926 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000494571995 1077559791 /nfs/dbraw/zinc/55/97/91/1077559791.db2.gz VKBYPQKUQCPMTM-IKGGRYGDSA-N 1 2 402.495 0.926 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000494571995 1077559783 /nfs/dbraw/zinc/55/97/83/1077559783.db2.gz VKBYPQKUQCPMTM-IKGGRYGDSA-N 1 2 402.495 0.926 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000494571996 1077559621 /nfs/dbraw/zinc/55/96/21/1077559621.db2.gz VKBYPQKUQCPMTM-IXDOHACOSA-N 1 2 402.495 0.926 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000494571996 1077559603 /nfs/dbraw/zinc/55/96/03/1077559603.db2.gz VKBYPQKUQCPMTM-IXDOHACOSA-N 1 2 402.495 0.926 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000494571997 1077559243 /nfs/dbraw/zinc/55/92/43/1077559243.db2.gz VKBYPQKUQCPMTM-ZACQAIPSSA-N 1 2 402.495 0.926 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000494571997 1077559231 /nfs/dbraw/zinc/55/92/31/1077559231.db2.gz VKBYPQKUQCPMTM-ZACQAIPSSA-N 1 2 402.495 0.926 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)c2)CC1 ZINC000494596528 1077569716 /nfs/dbraw/zinc/56/97/16/1077569716.db2.gz SNRGQNOUGNISCL-KRWDZBQOSA-N 1 2 408.524 0.066 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)c2)CC1 ZINC000494596533 1077569796 /nfs/dbraw/zinc/56/97/96/1077569796.db2.gz SNRGQNOUGNISCL-QGZVFWFLSA-N 1 2 408.524 0.066 20 0 HCADLO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000494606431 1077568403 /nfs/dbraw/zinc/56/84/03/1077568403.db2.gz BLRKLMKRUKYIEL-GOSISDBHSA-N 1 2 416.565 0.462 20 0 HCADLO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000494606431 1077568395 /nfs/dbraw/zinc/56/83/95/1077568395.db2.gz BLRKLMKRUKYIEL-GOSISDBHSA-N 1 2 416.565 0.462 20 0 HCADLO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000494606435 1077568454 /nfs/dbraw/zinc/56/84/54/1077568454.db2.gz BLRKLMKRUKYIEL-SFHVURJKSA-N 1 2 416.565 0.462 20 0 HCADLO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000494606435 1077568445 /nfs/dbraw/zinc/56/84/45/1077568445.db2.gz BLRKLMKRUKYIEL-SFHVURJKSA-N 1 2 416.565 0.462 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000494620404 1077573776 /nfs/dbraw/zinc/57/37/76/1077573776.db2.gz OAWJYCLBKPBSCW-GOSISDBHSA-N 1 2 422.551 0.456 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000494620405 1077573997 /nfs/dbraw/zinc/57/39/97/1077573997.db2.gz OAWJYCLBKPBSCW-SFHVURJKSA-N 1 2 422.551 0.456 20 0 HCADLO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)n1 ZINC000494627510 1074154760 /nfs/dbraw/zinc/15/47/60/1074154760.db2.gz AASQKAOGBKBEBA-GFCCVEGCSA-N 1 2 420.455 0.952 20 0 HCADLO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)n1 ZINC000494627511 1077575702 /nfs/dbraw/zinc/57/57/02/1077575702.db2.gz AASQKAOGBKBEBA-LBPRGKRZSA-N 1 2 420.455 0.952 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)c1)[NH+]1CCOCC1 ZINC000494629887 1077575762 /nfs/dbraw/zinc/57/57/62/1077575762.db2.gz IIIBVNAMRRQYPT-PBHICJAKSA-N 1 2 409.508 0.712 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1)[NH+]1CCOCC1 ZINC000494629888 1077575723 /nfs/dbraw/zinc/57/57/23/1077575723.db2.gz IIIBVNAMRRQYPT-RHSMWYFYSA-N 1 2 409.508 0.712 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1)[NH+]1CCOCC1 ZINC000494629889 1077575794 /nfs/dbraw/zinc/57/57/94/1077575794.db2.gz IIIBVNAMRRQYPT-WMLDXEAASA-N 1 2 409.508 0.712 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)c1)[NH+]1CCOCC1 ZINC000494629890 1077575853 /nfs/dbraw/zinc/57/58/53/1077575853.db2.gz IIIBVNAMRRQYPT-YOEHRIQHSA-N 1 2 409.508 0.712 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000494654022 1077585718 /nfs/dbraw/zinc/58/57/18/1077585718.db2.gz MEWMZKMCSLRVEZ-GOSISDBHSA-N 1 2 413.522 0.642 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000494654024 1077586093 /nfs/dbraw/zinc/58/60/93/1077586093.db2.gz MEWMZKMCSLRVEZ-SFHVURJKSA-N 1 2 413.522 0.642 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000494655825 1077578907 /nfs/dbraw/zinc/57/89/07/1077578907.db2.gz SDAZPBVCHVDLDM-PBHICJAKSA-N 1 2 400.479 0.898 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000494655826 1077578837 /nfs/dbraw/zinc/57/88/37/1077578837.db2.gz SDAZPBVCHVDLDM-RHSMWYFYSA-N 1 2 400.479 0.898 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000494655827 1077578993 /nfs/dbraw/zinc/57/89/93/1077578993.db2.gz SDAZPBVCHVDLDM-WMLDXEAASA-N 1 2 400.479 0.898 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000494655828 1077578946 /nfs/dbraw/zinc/57/89/46/1077578946.db2.gz SDAZPBVCHVDLDM-YOEHRIQHSA-N 1 2 400.479 0.898 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC(Oc2cnccn2)CC1 ZINC000494661729 1077579689 /nfs/dbraw/zinc/57/96/89/1077579689.db2.gz PNKWOMNWZVKICI-UHFFFAOYSA-N 1 2 412.498 0.642 20 0 HCADLO CN(Cc1ncnn1CC(F)F)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494662428 1077580282 /nfs/dbraw/zinc/58/02/82/1077580282.db2.gz BSLNUROOXURONB-UHFFFAOYSA-N 1 2 409.445 0.297 20 0 HCADLO COCCN(Cc1ccnn1C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494663030 1077579856 /nfs/dbraw/zinc/57/98/56/1077579856.db2.gz DBOHDXZUSHKNRJ-UHFFFAOYSA-N 1 2 402.503 0.190 20 0 HCADLO Cc1ccc(NC(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000494667495 1077581449 /nfs/dbraw/zinc/58/14/49/1077581449.db2.gz JPSHUXPZICYFDV-KRWDZBQOSA-N 1 2 409.508 0.411 20 0 HCADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000494667495 1077581441 /nfs/dbraw/zinc/58/14/41/1077581441.db2.gz JPSHUXPZICYFDV-KRWDZBQOSA-N 1 2 409.508 0.411 20 0 HCADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000494667500 1077581242 /nfs/dbraw/zinc/58/12/42/1077581242.db2.gz JPSHUXPZICYFDV-QGZVFWFLSA-N 1 2 409.508 0.411 20 0 HCADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000494667500 1077581234 /nfs/dbraw/zinc/58/12/34/1077581234.db2.gz JPSHUXPZICYFDV-QGZVFWFLSA-N 1 2 409.508 0.411 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000494683300 1077587971 /nfs/dbraw/zinc/58/79/71/1077587971.db2.gz DYPOFBHDCULJLL-KRWDZBQOSA-N 1 2 408.524 0.209 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000494683300 1077587959 /nfs/dbraw/zinc/58/79/59/1077587959.db2.gz DYPOFBHDCULJLL-KRWDZBQOSA-N 1 2 408.524 0.209 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000494683301 1077588256 /nfs/dbraw/zinc/58/82/56/1077588256.db2.gz DYPOFBHDCULJLL-QGZVFWFLSA-N 1 2 408.524 0.209 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000494683301 1077588246 /nfs/dbraw/zinc/58/82/46/1077588246.db2.gz DYPOFBHDCULJLL-QGZVFWFLSA-N 1 2 408.524 0.209 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000494685358 1077588797 /nfs/dbraw/zinc/58/87/97/1077588797.db2.gz JRPJNGIOUCPQCP-GOSISDBHSA-N 1 2 422.551 0.439 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000494685358 1077588783 /nfs/dbraw/zinc/58/87/83/1077588783.db2.gz JRPJNGIOUCPQCP-GOSISDBHSA-N 1 2 422.551 0.439 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000494685359 1077588653 /nfs/dbraw/zinc/58/86/53/1077588653.db2.gz JRPJNGIOUCPQCP-SFHVURJKSA-N 1 2 422.551 0.439 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000494685359 1077588648 /nfs/dbraw/zinc/58/86/48/1077588648.db2.gz JRPJNGIOUCPQCP-SFHVURJKSA-N 1 2 422.551 0.439 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000494688361 1077589371 /nfs/dbraw/zinc/58/93/71/1077589371.db2.gz XOJKLRPMSZXYGK-CYBMUJFWSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000494688361 1077589355 /nfs/dbraw/zinc/58/93/55/1077589355.db2.gz XOJKLRPMSZXYGK-CYBMUJFWSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000494688373 1077589517 /nfs/dbraw/zinc/58/95/17/1077589517.db2.gz XOJKLRPMSZXYGK-ZDUSSCGKSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000494688373 1077589513 /nfs/dbraw/zinc/58/95/13/1077589513.db2.gz XOJKLRPMSZXYGK-ZDUSSCGKSA-N 1 2 415.512 0.342 20 0 HCADLO CCCCN(C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494689032 1077589541 /nfs/dbraw/zinc/58/95/41/1077589541.db2.gz GWZXSBWSUIXNSG-MSOLQXFVSA-N 1 2 401.573 0.456 20 0 HCADLO CCCCN(C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494689036 1077589479 /nfs/dbraw/zinc/58/94/79/1077589479.db2.gz GWZXSBWSUIXNSG-QZTJIDSGSA-N 1 2 401.573 0.456 20 0 HCADLO CCCCN(C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494689037 1077589256 /nfs/dbraw/zinc/58/92/56/1077589256.db2.gz GWZXSBWSUIXNSG-ROUUACIJSA-N 1 2 401.573 0.456 20 0 HCADLO CCCCN(C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494689038 1077589527 /nfs/dbraw/zinc/58/95/27/1077589527.db2.gz GWZXSBWSUIXNSG-ZWKOTPCHSA-N 1 2 401.573 0.456 20 0 HCADLO CC(C)CN(C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494690478 1077589442 /nfs/dbraw/zinc/58/94/42/1077589442.db2.gz LAZKSJXJYODQMF-MSOLQXFVSA-N 1 2 401.573 0.312 20 0 HCADLO CC(C)CN(C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494690481 1077590001 /nfs/dbraw/zinc/59/00/01/1077590001.db2.gz LAZKSJXJYODQMF-QZTJIDSGSA-N 1 2 401.573 0.312 20 0 HCADLO CC(C)CN(C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494690483 1077589881 /nfs/dbraw/zinc/58/98/81/1077589881.db2.gz LAZKSJXJYODQMF-ROUUACIJSA-N 1 2 401.573 0.312 20 0 HCADLO CC(C)CN(C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494690485 1077590110 /nfs/dbraw/zinc/59/01/10/1077590110.db2.gz LAZKSJXJYODQMF-ZWKOTPCHSA-N 1 2 401.573 0.312 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000494691156 1077590125 /nfs/dbraw/zinc/59/01/25/1077590125.db2.gz SARARYLBTRKWHC-IBGZPJMESA-N 1 2 424.567 0.149 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000494691157 1077589847 /nfs/dbraw/zinc/58/98/47/1077589847.db2.gz SARARYLBTRKWHC-LJQANCHMSA-N 1 2 424.567 0.149 20 0 HCADLO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)CC1 ZINC000494691367 1077590085 /nfs/dbraw/zinc/59/00/85/1077590085.db2.gz TYKZIZAGTGIWNN-AWEZNQCLSA-N 1 2 405.459 0.943 20 0 HCADLO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)CC1 ZINC000494691368 1077589779 /nfs/dbraw/zinc/58/97/79/1077589779.db2.gz TYKZIZAGTGIWNN-CQSZACIVSA-N 1 2 405.459 0.943 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000494697792 1077591082 /nfs/dbraw/zinc/59/10/82/1077591082.db2.gz FWLHWLXHHCKSJZ-AWEZNQCLSA-N 1 2 414.553 0.046 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000494697792 1077591074 /nfs/dbraw/zinc/59/10/74/1077591074.db2.gz FWLHWLXHHCKSJZ-AWEZNQCLSA-N 1 2 414.553 0.046 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000494697793 1077590956 /nfs/dbraw/zinc/59/09/56/1077590956.db2.gz FWLHWLXHHCKSJZ-CQSZACIVSA-N 1 2 414.553 0.046 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000494697793 1077590943 /nfs/dbraw/zinc/59/09/43/1077590943.db2.gz FWLHWLXHHCKSJZ-CQSZACIVSA-N 1 2 414.553 0.046 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000494701158 1077591482 /nfs/dbraw/zinc/59/14/82/1077591482.db2.gz FKVWBTDMRQTJLA-INIZCTEOSA-N 1 2 400.570 0.406 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000494701158 1077591471 /nfs/dbraw/zinc/59/14/71/1077591471.db2.gz FKVWBTDMRQTJLA-INIZCTEOSA-N 1 2 400.570 0.406 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000494701159 1077591365 /nfs/dbraw/zinc/59/13/65/1077591365.db2.gz FKVWBTDMRQTJLA-MRXNPFEDSA-N 1 2 400.570 0.406 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000494701159 1077591360 /nfs/dbraw/zinc/59/13/60/1077591360.db2.gz FKVWBTDMRQTJLA-MRXNPFEDSA-N 1 2 400.570 0.406 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1cc(OC)c(OC)cc1OC ZINC000494703609 1077586705 /nfs/dbraw/zinc/58/67/05/1077586705.db2.gz NSUGWVKCFVDXBA-AWEZNQCLSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cc(OC)c(OC)cc1OC ZINC000494703609 1077586698 /nfs/dbraw/zinc/58/66/98/1077586698.db2.gz NSUGWVKCFVDXBA-AWEZNQCLSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1cc(OC)c(OC)cc1OC ZINC000494703610 1077586673 /nfs/dbraw/zinc/58/66/73/1077586673.db2.gz NSUGWVKCFVDXBA-CQSZACIVSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1cc(OC)c(OC)cc1OC ZINC000494703610 1077586662 /nfs/dbraw/zinc/58/66/62/1077586662.db2.gz NSUGWVKCFVDXBA-CQSZACIVSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000494703798 1077586596 /nfs/dbraw/zinc/58/65/96/1077586596.db2.gz OMLCZBZZPFXGFM-GOSISDBHSA-N 1 2 422.551 0.552 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000494703798 1077586587 /nfs/dbraw/zinc/58/65/87/1077586587.db2.gz OMLCZBZZPFXGFM-GOSISDBHSA-N 1 2 422.551 0.552 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000494703799 1077586740 /nfs/dbraw/zinc/58/67/40/1077586740.db2.gz OMLCZBZZPFXGFM-SFHVURJKSA-N 1 2 422.551 0.552 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000494703799 1077586732 /nfs/dbraw/zinc/58/67/32/1077586732.db2.gz OMLCZBZZPFXGFM-SFHVURJKSA-N 1 2 422.551 0.552 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000494706351 1077587677 /nfs/dbraw/zinc/58/76/77/1077587677.db2.gz DYNFHIYRBBOPDF-GFCCVEGCSA-N 1 2 417.430 0.690 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000494706352 1077588039 /nfs/dbraw/zinc/58/80/39/1077588039.db2.gz DYNFHIYRBBOPDF-LBPRGKRZSA-N 1 2 417.430 0.690 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000494707072 1077587538 /nfs/dbraw/zinc/58/75/38/1077587538.db2.gz IJVVCUGKPCKYSY-DZPQGLOJSA-N 1 2 412.556 0.795 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000494707072 1077587531 /nfs/dbraw/zinc/58/75/31/1077587531.db2.gz IJVVCUGKPCKYSY-DZPQGLOJSA-N 1 2 412.556 0.795 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000494707075 1077587590 /nfs/dbraw/zinc/58/75/90/1077587590.db2.gz IJVVCUGKPCKYSY-LZUXJJCOSA-N 1 2 412.556 0.795 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000494707075 1077587585 /nfs/dbraw/zinc/58/75/85/1077587585.db2.gz IJVVCUGKPCKYSY-LZUXJJCOSA-N 1 2 412.556 0.795 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000494712376 1077596829 /nfs/dbraw/zinc/59/68/29/1077596829.db2.gz VFQXYHHJFZNGRT-GOSISDBHSA-N 1 2 424.567 0.353 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000494712376 1077596821 /nfs/dbraw/zinc/59/68/21/1077596821.db2.gz VFQXYHHJFZNGRT-GOSISDBHSA-N 1 2 424.567 0.353 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000494712377 1077596606 /nfs/dbraw/zinc/59/66/06/1077596606.db2.gz VFQXYHHJFZNGRT-SFHVURJKSA-N 1 2 424.567 0.353 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000494712377 1077596597 /nfs/dbraw/zinc/59/65/97/1077596597.db2.gz VFQXYHHJFZNGRT-SFHVURJKSA-N 1 2 424.567 0.353 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000494712508 1077596503 /nfs/dbraw/zinc/59/65/03/1077596503.db2.gz VSNYTPZMPQFZSS-HNNXBMFYSA-N 1 2 400.570 0.406 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000494712508 1077596487 /nfs/dbraw/zinc/59/64/87/1077596487.db2.gz VSNYTPZMPQFZSS-HNNXBMFYSA-N 1 2 400.570 0.406 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000494712509 1077596747 /nfs/dbraw/zinc/59/67/47/1077596747.db2.gz VSNYTPZMPQFZSS-OAHLLOKOSA-N 1 2 400.570 0.406 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000494712509 1077596736 /nfs/dbraw/zinc/59/67/36/1077596736.db2.gz VSNYTPZMPQFZSS-OAHLLOKOSA-N 1 2 400.570 0.406 20 0 HCADLO CCS(=O)(=O)NCCN1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000494717002 1077597441 /nfs/dbraw/zinc/59/74/41/1077597441.db2.gz GWGNXHIRPTYWFX-UHFFFAOYSA-N 1 2 401.529 0.769 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494717320 1077597785 /nfs/dbraw/zinc/59/77/85/1077597785.db2.gz CFSADDRTBPTABE-GOSISDBHSA-N 1 2 410.540 0.471 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494717321 1077597995 /nfs/dbraw/zinc/59/79/95/1077597995.db2.gz CFSADDRTBPTABE-SFHVURJKSA-N 1 2 410.540 0.471 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000494717718 1077598101 /nfs/dbraw/zinc/59/81/01/1077598101.db2.gz FRMSEFFUTMNHRU-INIZCTEOSA-N 1 2 411.524 0.602 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000494717718 1077598089 /nfs/dbraw/zinc/59/80/89/1077598089.db2.gz FRMSEFFUTMNHRU-INIZCTEOSA-N 1 2 411.524 0.602 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000494717720 1077597339 /nfs/dbraw/zinc/59/73/39/1077597339.db2.gz FRMSEFFUTMNHRU-MRXNPFEDSA-N 1 2 411.524 0.602 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000494717720 1077597308 /nfs/dbraw/zinc/59/73/08/1077597308.db2.gz FRMSEFFUTMNHRU-MRXNPFEDSA-N 1 2 411.524 0.602 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000494721054 1077595578 /nfs/dbraw/zinc/59/55/78/1077595578.db2.gz KEYSNIFKISZTNP-AWEZNQCLSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000494721054 1077595571 /nfs/dbraw/zinc/59/55/71/1077595571.db2.gz KEYSNIFKISZTNP-AWEZNQCLSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000494721055 1077595410 /nfs/dbraw/zinc/59/54/10/1077595410.db2.gz KEYSNIFKISZTNP-CQSZACIVSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000494721055 1077595399 /nfs/dbraw/zinc/59/53/99/1077595399.db2.gz KEYSNIFKISZTNP-CQSZACIVSA-N 1 2 415.512 0.342 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000494722974 1077596020 /nfs/dbraw/zinc/59/60/20/1077596020.db2.gz SUGJDGHYSIMVEP-KRWDZBQOSA-N 1 2 423.539 0.376 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000494722974 1077596005 /nfs/dbraw/zinc/59/60/05/1077596005.db2.gz SUGJDGHYSIMVEP-KRWDZBQOSA-N 1 2 423.539 0.376 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000494722975 1077595678 /nfs/dbraw/zinc/59/56/78/1077595678.db2.gz SUGJDGHYSIMVEP-QGZVFWFLSA-N 1 2 423.539 0.376 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000494722975 1077595666 /nfs/dbraw/zinc/59/56/66/1077595666.db2.gz SUGJDGHYSIMVEP-QGZVFWFLSA-N 1 2 423.539 0.376 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000494724326 1077595936 /nfs/dbraw/zinc/59/59/36/1077595936.db2.gz ZNBLWNZHZHZKOW-HNNXBMFYSA-N 1 2 400.476 0.048 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000494724326 1077595925 /nfs/dbraw/zinc/59/59/25/1077595925.db2.gz ZNBLWNZHZHZKOW-HNNXBMFYSA-N 1 2 400.476 0.048 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000494724327 1077596163 /nfs/dbraw/zinc/59/61/63/1077596163.db2.gz ZNBLWNZHZHZKOW-OAHLLOKOSA-N 1 2 400.476 0.048 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000494724327 1077596155 /nfs/dbraw/zinc/59/61/55/1077596155.db2.gz ZNBLWNZHZHZKOW-OAHLLOKOSA-N 1 2 400.476 0.048 20 0 HCADLO CCCN(C(=O)[C@H](C)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494725703 1077598779 /nfs/dbraw/zinc/59/87/79/1077598779.db2.gz CUOZSVWFHKBYLH-BZSNNMDCSA-N 1 2 401.573 0.455 20 0 HCADLO CCCN(C(=O)[C@H](C)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494725705 1077598874 /nfs/dbraw/zinc/59/88/74/1077598874.db2.gz CUOZSVWFHKBYLH-KSZLIROESA-N 1 2 401.573 0.455 20 0 HCADLO CCCN(C(=O)[C@H](C)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494725707 1077598852 /nfs/dbraw/zinc/59/88/52/1077598852.db2.gz CUOZSVWFHKBYLH-OKZBNKHCSA-N 1 2 401.573 0.455 20 0 HCADLO CCCN(C(=O)[C@H](C)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494725709 1077598808 /nfs/dbraw/zinc/59/88/08/1077598808.db2.gz CUOZSVWFHKBYLH-RCCFBDPRSA-N 1 2 401.573 0.455 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@](O)(C2CC2)C1 ZINC000494728771 1077599552 /nfs/dbraw/zinc/59/95/52/1077599552.db2.gz ORJJVSPGESZZJR-IBGZPJMESA-N 1 2 423.539 0.090 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@](O)(C2CC2)C1 ZINC000494728773 1077599195 /nfs/dbraw/zinc/59/91/95/1077599195.db2.gz ORJJVSPGESZZJR-LJQANCHMSA-N 1 2 423.539 0.090 20 0 HCADLO COc1cc(CN2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(OC)c1OC ZINC000494730862 1077599384 /nfs/dbraw/zinc/59/93/84/1077599384.db2.gz WTHMHFAOKJTENE-UHFFFAOYSA-N 1 2 418.494 0.428 20 0 HCADLO COc1cc(C[NH+]2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(OC)c1OC ZINC000494730862 1077599377 /nfs/dbraw/zinc/59/93/77/1077599377.db2.gz WTHMHFAOKJTENE-UHFFFAOYSA-N 1 2 418.494 0.428 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000494732461 1077600201 /nfs/dbraw/zinc/60/02/01/1077600201.db2.gz BAWZXPSPWHIKMU-GOSISDBHSA-N 1 2 405.524 0.561 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000494732461 1077600189 /nfs/dbraw/zinc/60/01/89/1077600189.db2.gz BAWZXPSPWHIKMU-GOSISDBHSA-N 1 2 405.524 0.561 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000494732462 1077599957 /nfs/dbraw/zinc/59/99/57/1077599957.db2.gz BAWZXPSPWHIKMU-SFHVURJKSA-N 1 2 405.524 0.561 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000494732462 1077599946 /nfs/dbraw/zinc/59/99/46/1077599946.db2.gz BAWZXPSPWHIKMU-SFHVURJKSA-N 1 2 405.524 0.561 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000494734946 1077600898 /nfs/dbraw/zinc/60/08/98/1077600898.db2.gz LYOCYMCZGFXDBD-AWEZNQCLSA-N 1 2 405.467 0.960 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000494734946 1077600879 /nfs/dbraw/zinc/60/08/79/1077600879.db2.gz LYOCYMCZGFXDBD-AWEZNQCLSA-N 1 2 405.467 0.960 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000494734947 1077601320 /nfs/dbraw/zinc/60/13/20/1077601320.db2.gz LYOCYMCZGFXDBD-CQSZACIVSA-N 1 2 405.467 0.960 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000494734947 1077601301 /nfs/dbraw/zinc/60/13/01/1077601301.db2.gz LYOCYMCZGFXDBD-CQSZACIVSA-N 1 2 405.467 0.960 20 0 HCADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494737459 1077603410 /nfs/dbraw/zinc/60/34/10/1077603410.db2.gz VUEWRSUAIXVVRQ-CVEARBPZSA-N 1 2 411.524 0.689 20 0 HCADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494737459 1077603400 /nfs/dbraw/zinc/60/34/00/1077603400.db2.gz VUEWRSUAIXVVRQ-CVEARBPZSA-N 1 2 411.524 0.689 20 0 HCADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494737463 1077603148 /nfs/dbraw/zinc/60/31/48/1077603148.db2.gz VUEWRSUAIXVVRQ-HOTGVXAUSA-N 1 2 411.524 0.689 20 0 HCADLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494737463 1077603141 /nfs/dbraw/zinc/60/31/41/1077603141.db2.gz VUEWRSUAIXVVRQ-HOTGVXAUSA-N 1 2 411.524 0.689 20 0 HCADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494737464 1077603189 /nfs/dbraw/zinc/60/31/89/1077603189.db2.gz VUEWRSUAIXVVRQ-HZPDHXFCSA-N 1 2 411.524 0.689 20 0 HCADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494737464 1077603187 /nfs/dbraw/zinc/60/31/87/1077603187.db2.gz VUEWRSUAIXVVRQ-HZPDHXFCSA-N 1 2 411.524 0.689 20 0 HCADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494737466 1077603302 /nfs/dbraw/zinc/60/33/02/1077603302.db2.gz VUEWRSUAIXVVRQ-JKSUJKDBSA-N 1 2 411.524 0.689 20 0 HCADLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494737466 1077603287 /nfs/dbraw/zinc/60/32/87/1077603287.db2.gz VUEWRSUAIXVVRQ-JKSUJKDBSA-N 1 2 411.524 0.689 20 0 HCADLO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000494738138 1077602343 /nfs/dbraw/zinc/60/23/43/1077602343.db2.gz SUBFFPJDNYOUJV-HKUYNNGSSA-N 1 2 413.584 0.599 20 0 HCADLO O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494738139 1077602557 /nfs/dbraw/zinc/60/25/57/1077602557.db2.gz SUBFFPJDNYOUJV-IEBWSBKVSA-N 1 2 413.584 0.599 20 0 HCADLO O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000494738140 1077602639 /nfs/dbraw/zinc/60/26/39/1077602639.db2.gz SUBFFPJDNYOUJV-MJGOQNOKSA-N 1 2 413.584 0.599 20 0 HCADLO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494738141 1077602468 /nfs/dbraw/zinc/60/24/68/1077602468.db2.gz SUBFFPJDNYOUJV-PKOBYXMFSA-N 1 2 413.584 0.599 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000494739341 1077604102 /nfs/dbraw/zinc/60/41/02/1077604102.db2.gz WNXSEDSGPBLNOE-CVEARBPZSA-N 1 2 410.540 0.760 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000494739341 1077604087 /nfs/dbraw/zinc/60/40/87/1077604087.db2.gz WNXSEDSGPBLNOE-CVEARBPZSA-N 1 2 410.540 0.760 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000494739342 1077604000 /nfs/dbraw/zinc/60/40/00/1077604000.db2.gz WNXSEDSGPBLNOE-HOTGVXAUSA-N 1 2 410.540 0.760 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000494739342 1077603982 /nfs/dbraw/zinc/60/39/82/1077603982.db2.gz WNXSEDSGPBLNOE-HOTGVXAUSA-N 1 2 410.540 0.760 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000494739343 1077603887 /nfs/dbraw/zinc/60/38/87/1077603887.db2.gz WNXSEDSGPBLNOE-HZPDHXFCSA-N 1 2 410.540 0.760 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000494739343 1077603880 /nfs/dbraw/zinc/60/38/80/1077603880.db2.gz WNXSEDSGPBLNOE-HZPDHXFCSA-N 1 2 410.540 0.760 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000494739344 1077603893 /nfs/dbraw/zinc/60/38/93/1077603893.db2.gz WNXSEDSGPBLNOE-JKSUJKDBSA-N 1 2 410.540 0.760 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000494739344 1077603892 /nfs/dbraw/zinc/60/38/92/1077603892.db2.gz WNXSEDSGPBLNOE-JKSUJKDBSA-N 1 2 410.540 0.760 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[NH2+][C@@H](C)c2nncn2C)CC1 ZINC000494780767 1077624946 /nfs/dbraw/zinc/62/49/46/1077624946.db2.gz DCPSWWGJPVMVKO-INIZCTEOSA-N 1 2 413.526 0.811 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[NH2+][C@H](C)c2nncn2C)CC1 ZINC000494780768 1077624508 /nfs/dbraw/zinc/62/45/08/1077624508.db2.gz DCPSWWGJPVMVKO-MRXNPFEDSA-N 1 2 413.526 0.811 20 0 HCADLO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1nncn1C ZINC000494782966 1077624888 /nfs/dbraw/zinc/62/48/88/1077624888.db2.gz DPJGVMFEXLVFSV-HNNXBMFYSA-N 1 2 406.512 0.140 20 0 HCADLO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1nncn1C ZINC000494782967 1077624593 /nfs/dbraw/zinc/62/45/93/1077624593.db2.gz DPJGVMFEXLVFSV-OAHLLOKOSA-N 1 2 406.512 0.140 20 0 HCADLO C[C@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1nncn1C ZINC000494785078 1077627020 /nfs/dbraw/zinc/62/70/20/1077627020.db2.gz OBLJKQXBJNDUMZ-HNNXBMFYSA-N 1 2 420.539 0.957 20 0 HCADLO C[C@@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1nncn1C ZINC000494785079 1077626812 /nfs/dbraw/zinc/62/68/12/1077626812.db2.gz OBLJKQXBJNDUMZ-OAHLLOKOSA-N 1 2 420.539 0.957 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3nncn3C)CC2)cc1 ZINC000494785423 1077627671 /nfs/dbraw/zinc/62/76/71/1077627671.db2.gz QSPWNXBQXLEYMO-AWEZNQCLSA-N 1 2 422.511 0.007 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)c3nncn3C)CC2)cc1 ZINC000494785424 1077627702 /nfs/dbraw/zinc/62/77/02/1077627702.db2.gz QSPWNXBQXLEYMO-CQSZACIVSA-N 1 2 422.511 0.007 20 0 HCADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[NH2+][C@@H](C)c2nncn2C)CC1 ZINC000494786499 1077627794 /nfs/dbraw/zinc/62/77/94/1077627794.db2.gz VPLLLLSBADRIAQ-KRWDZBQOSA-N 1 2 413.526 0.865 20 0 HCADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[NH2+][C@H](C)c2nncn2C)CC1 ZINC000494786500 1077628347 /nfs/dbraw/zinc/62/83/47/1077628347.db2.gz VPLLLLSBADRIAQ-QGZVFWFLSA-N 1 2 413.526 0.865 20 0 HCADLO Cc1csc(C2([NH2+]CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CCC2)n1 ZINC000494788801 1077629868 /nfs/dbraw/zinc/62/98/68/1077629868.db2.gz VIQDOMTZHLLHPS-HNNXBMFYSA-N 1 2 412.581 0.752 20 0 HCADLO Cc1csc(C2([NH2+]CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CCC2)n1 ZINC000494788802 1077629959 /nfs/dbraw/zinc/62/99/59/1077629959.db2.gz VIQDOMTZHLLHPS-OAHLLOKOSA-N 1 2 412.581 0.752 20 0 HCADLO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1nncn1C ZINC000494790754 1077629023 /nfs/dbraw/zinc/62/90/23/1077629023.db2.gz BFNRKSZGUNOGNQ-AWEZNQCLSA-N 1 2 403.462 0.388 20 0 HCADLO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1nncn1C ZINC000494790755 1077629356 /nfs/dbraw/zinc/62/93/56/1077629356.db2.gz BFNRKSZGUNOGNQ-CQSZACIVSA-N 1 2 403.462 0.388 20 0 HCADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000494797639 1077636109 /nfs/dbraw/zinc/63/61/09/1077636109.db2.gz BRKVOLDAQPLOSV-LLVKDONJSA-N 1 2 409.468 0.327 20 0 HCADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000494797643 1077636053 /nfs/dbraw/zinc/63/60/53/1077636053.db2.gz BRKVOLDAQPLOSV-NSHDSACASA-N 1 2 409.468 0.327 20 0 HCADLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494798738 1077636397 /nfs/dbraw/zinc/63/63/97/1077636397.db2.gz GBYKNIJORCLBKM-KBPBESRZSA-N 1 2 422.511 0.514 20 0 HCADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nncn1C ZINC000494798739 1077636749 /nfs/dbraw/zinc/63/67/49/1077636749.db2.gz GBYKNIJORCLBKM-KGLIPLIRSA-N 1 2 422.511 0.514 20 0 HCADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494798740 1077636882 /nfs/dbraw/zinc/63/68/82/1077636882.db2.gz GBYKNIJORCLBKM-UONOGXRCSA-N 1 2 422.511 0.514 20 0 HCADLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494798741 1077636568 /nfs/dbraw/zinc/63/65/68/1077636568.db2.gz GBYKNIJORCLBKM-ZIAGYGMSSA-N 1 2 422.511 0.514 20 0 HCADLO CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3nc(CC(=O)NC)no3)CC2)nc1 ZINC000494802069 1077639328 /nfs/dbraw/zinc/63/93/28/1077639328.db2.gz UYRROMRYZNOIKO-UHFFFAOYSA-N 1 2 402.455 0.642 20 0 HCADLO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3nc(CC(=O)NC)no3)CC2)nc1 ZINC000494802069 1077639312 /nfs/dbraw/zinc/63/93/12/1077639312.db2.gz UYRROMRYZNOIKO-UHFFFAOYSA-N 1 2 402.455 0.642 20 0 HCADLO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1nncn1C ZINC000494802111 1077639228 /nfs/dbraw/zinc/63/92/28/1077639228.db2.gz XNZLDQYCUBLDRV-CYBMUJFWSA-N 1 2 410.475 0.138 20 0 HCADLO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1nncn1C ZINC000494802114 1077639421 /nfs/dbraw/zinc/63/94/21/1077639421.db2.gz XNZLDQYCUBLDRV-ZDUSSCGKSA-N 1 2 410.475 0.138 20 0 HCADLO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1nncn1C ZINC000494802533 1077639489 /nfs/dbraw/zinc/63/94/89/1077639489.db2.gz XGKTUQNHDVWCRS-CYBMUJFWSA-N 1 2 410.475 0.138 20 0 HCADLO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1nncn1C ZINC000494802534 1077639540 /nfs/dbraw/zinc/63/95/40/1077639540.db2.gz XGKTUQNHDVWCRS-ZDUSSCGKSA-N 1 2 410.475 0.138 20 0 HCADLO CCn1c(C[NH2+][C@@H](CO)c2cnn(C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000494803825 1077640369 /nfs/dbraw/zinc/64/03/69/1077640369.db2.gz JAKVVYIJMZXFTA-INIZCTEOSA-N 1 2 406.512 0.863 20 0 HCADLO CCn1c(C[NH2+][C@H](CO)c2cnn(C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000494803826 1077640264 /nfs/dbraw/zinc/64/02/64/1077640264.db2.gz JAKVVYIJMZXFTA-MRXNPFEDSA-N 1 2 406.512 0.863 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH2+][C@H](C)c3nncn3C)CC2)cc1 ZINC000494804494 1077639942 /nfs/dbraw/zinc/63/99/42/1077639942.db2.gz DICOUDDDNUDBQZ-CVEARBPZSA-N 1 2 420.539 0.696 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c3nncn3C)CC2)cc1 ZINC000494804495 1077640383 /nfs/dbraw/zinc/64/03/83/1077640383.db2.gz DICOUDDDNUDBQZ-HOTGVXAUSA-N 1 2 420.539 0.696 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c3nncn3C)CC2)cc1 ZINC000494804496 1077640315 /nfs/dbraw/zinc/64/03/15/1077640315.db2.gz DICOUDDDNUDBQZ-HZPDHXFCSA-N 1 2 420.539 0.696 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c3nncn3C)CC2)cc1 ZINC000494804497 1077639860 /nfs/dbraw/zinc/63/98/60/1077639860.db2.gz DICOUDDDNUDBQZ-JKSUJKDBSA-N 1 2 420.539 0.696 20 0 HCADLO CC(C)CN(C(=O)C[NH2+][C@H](C)c1nncn1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494812961 1077644122 /nfs/dbraw/zinc/64/41/22/1077644122.db2.gz VPUXEPBAOUOUHA-CYBMUJFWSA-N 1 2 420.518 0.655 20 0 HCADLO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1nncn1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494812964 1077643966 /nfs/dbraw/zinc/64/39/66/1077643966.db2.gz VPUXEPBAOUOUHA-ZDUSSCGKSA-N 1 2 420.518 0.655 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3nncn3C)CC2)cc1C ZINC000494825721 1077649483 /nfs/dbraw/zinc/64/94/83/1077649483.db2.gz SZWSKLLSDUEJEZ-INIZCTEOSA-N 1 2 420.539 0.616 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)c3nncn3C)CC2)cc1C ZINC000494825724 1077649383 /nfs/dbraw/zinc/64/93/83/1077649383.db2.gz SZWSKLLSDUEJEZ-MRXNPFEDSA-N 1 2 420.539 0.616 20 0 HCADLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494827123 1077649536 /nfs/dbraw/zinc/64/95/36/1077649536.db2.gz YSABDPQOCBYVSD-KBPBESRZSA-N 1 2 422.511 0.514 20 0 HCADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1nncn1C ZINC000494827124 1077649525 /nfs/dbraw/zinc/64/95/25/1077649525.db2.gz YSABDPQOCBYVSD-KGLIPLIRSA-N 1 2 422.511 0.514 20 0 HCADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494827125 1077649406 /nfs/dbraw/zinc/64/94/06/1077649406.db2.gz YSABDPQOCBYVSD-UONOGXRCSA-N 1 2 422.511 0.514 20 0 HCADLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494827126 1077649357 /nfs/dbraw/zinc/64/93/57/1077649357.db2.gz YSABDPQOCBYVSD-ZIAGYGMSSA-N 1 2 422.511 0.514 20 0 HCADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)[nH+]cn1 ZINC000494829504 1077651666 /nfs/dbraw/zinc/65/16/66/1077651666.db2.gz OEHLVJJPYFELLJ-JTQLQIEISA-N 1 2 424.412 0.577 20 0 HCADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)nc[nH+]1 ZINC000494829504 1077651656 /nfs/dbraw/zinc/65/16/56/1077651656.db2.gz OEHLVJJPYFELLJ-JTQLQIEISA-N 1 2 424.412 0.577 20 0 HCADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)[nH+]cn1 ZINC000494829505 1077651792 /nfs/dbraw/zinc/65/17/92/1077651792.db2.gz OEHLVJJPYFELLJ-SNVBAGLBSA-N 1 2 424.412 0.577 20 0 HCADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)nc[nH+]1 ZINC000494829505 1077651786 /nfs/dbraw/zinc/65/17/86/1077651786.db2.gz OEHLVJJPYFELLJ-SNVBAGLBSA-N 1 2 424.412 0.577 20 0 HCADLO Cc1nn(C)c(-n2cccn2)c1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494831908 1077652207 /nfs/dbraw/zinc/65/22/07/1077652207.db2.gz CLKMXSFYUDZYFS-UHFFFAOYSA-N 1 2 422.493 0.778 20 0 HCADLO O=C(CCNC(=O)c1cc2c(cn1)nc[nH]c2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494831990 1077652130 /nfs/dbraw/zinc/65/21/30/1077652130.db2.gz CUNOZTJDFSKASQ-UHFFFAOYSA-N 1 2 407.434 0.594 20 0 HCADLO O=C(CNC(=O)c1cccc(O)c1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494837844 1077655604 /nfs/dbraw/zinc/65/56/04/1077655604.db2.gz RIWCADPOPAXXGW-UHFFFAOYSA-N 1 2 411.462 0.372 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)O1)N1CCN2CCCC[C@@H]2C1 ZINC000494839946 1077656629 /nfs/dbraw/zinc/65/66/29/1077656629.db2.gz ZVDQOKFYVFWFHW-FGYAAKKASA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)O1)N1CCN2CCCC[C@@H]2C1 ZINC000494839946 1077656625 /nfs/dbraw/zinc/65/66/25/1077656625.db2.gz ZVDQOKFYVFWFHW-FGYAAKKASA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)O1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000494839946 1077656619 /nfs/dbraw/zinc/65/66/19/1077656619.db2.gz ZVDQOKFYVFWFHW-FGYAAKKASA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)O1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000494839946 1077656612 /nfs/dbraw/zinc/65/66/12/1077656612.db2.gz ZVDQOKFYVFWFHW-FGYAAKKASA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)O1)N1CCN2CCCC[C@H]2C1 ZINC000494839949 1077656700 /nfs/dbraw/zinc/65/67/00/1077656700.db2.gz ZVDQOKFYVFWFHW-JVSBHGNQSA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)O1)N1CCN2CCCC[C@H]2C1 ZINC000494839949 1077656697 /nfs/dbraw/zinc/65/66/97/1077656697.db2.gz ZVDQOKFYVFWFHW-JVSBHGNQSA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)O1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000494839949 1077656694 /nfs/dbraw/zinc/65/66/94/1077656694.db2.gz ZVDQOKFYVFWFHW-JVSBHGNQSA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)O1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000494839949 1077656691 /nfs/dbraw/zinc/65/66/91/1077656691.db2.gz ZVDQOKFYVFWFHW-JVSBHGNQSA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)O1)N1CCN2CCCC[C@H]2C1 ZINC000494839951 1077656644 /nfs/dbraw/zinc/65/66/44/1077656644.db2.gz ZVDQOKFYVFWFHW-LWYYNNOASA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)O1)N1CCN2CCCC[C@H]2C1 ZINC000494839951 1077656643 /nfs/dbraw/zinc/65/66/43/1077656643.db2.gz ZVDQOKFYVFWFHW-LWYYNNOASA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)O1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000494839951 1077656642 /nfs/dbraw/zinc/65/66/42/1077656642.db2.gz ZVDQOKFYVFWFHW-LWYYNNOASA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)O1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000494839951 1077656641 /nfs/dbraw/zinc/65/66/41/1077656641.db2.gz ZVDQOKFYVFWFHW-LWYYNNOASA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)O1)N1CCN2CCCC[C@@H]2C1 ZINC000494839953 1077656678 /nfs/dbraw/zinc/65/66/78/1077656678.db2.gz ZVDQOKFYVFWFHW-WTGUMLROSA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)O1)N1CCN2CCCC[C@@H]2C1 ZINC000494839953 1077656676 /nfs/dbraw/zinc/65/66/76/1077656676.db2.gz ZVDQOKFYVFWFHW-WTGUMLROSA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)O1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000494839953 1077656674 /nfs/dbraw/zinc/65/66/74/1077656674.db2.gz ZVDQOKFYVFWFHW-WTGUMLROSA-N 1 2 404.555 0.927 20 0 HCADLO O=C([C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)O1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000494839953 1077656673 /nfs/dbraw/zinc/65/66/73/1077656673.db2.gz ZVDQOKFYVFWFHW-WTGUMLROSA-N 1 2 404.555 0.927 20 0 HCADLO COCCN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000494870152 1077661952 /nfs/dbraw/zinc/66/19/52/1077661952.db2.gz GQFTZUXTZNTCKW-KRWDZBQOSA-N 1 2 405.499 0.567 20 0 HCADLO COCCN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000494870169 1077662031 /nfs/dbraw/zinc/66/20/31/1077662031.db2.gz GQFTZUXTZNTCKW-QGZVFWFLSA-N 1 2 405.499 0.567 20 0 HCADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000494871884 1077663540 /nfs/dbraw/zinc/66/35/40/1077663540.db2.gz DIGUVFYOZDGIKX-GOSISDBHSA-N 1 2 418.542 0.530 20 0 HCADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000494871884 1077663536 /nfs/dbraw/zinc/66/35/36/1077663536.db2.gz DIGUVFYOZDGIKX-GOSISDBHSA-N 1 2 418.542 0.530 20 0 HCADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000494871885 1077663345 /nfs/dbraw/zinc/66/33/45/1077663345.db2.gz DIGUVFYOZDGIKX-SFHVURJKSA-N 1 2 418.542 0.530 20 0 HCADLO CC[C@H]1C[N@H+](CCNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000494871885 1077663339 /nfs/dbraw/zinc/66/33/39/1077663339.db2.gz DIGUVFYOZDGIKX-SFHVURJKSA-N 1 2 418.542 0.530 20 0 HCADLO Cc1ccc(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)n1C ZINC000494874026 1077663410 /nfs/dbraw/zinc/66/34/10/1077663410.db2.gz MWSZAMSTZYJGNO-UHFFFAOYSA-N 1 2 412.494 0.627 20 0 HCADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCO1 ZINC000494881137 1077664249 /nfs/dbraw/zinc/66/42/49/1077664249.db2.gz FWYOAOJWZIGALN-JXFKEZNVSA-N 1 2 403.483 0.651 20 0 HCADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCO1 ZINC000494881137 1077664248 /nfs/dbraw/zinc/66/42/48/1077664248.db2.gz FWYOAOJWZIGALN-JXFKEZNVSA-N 1 2 403.483 0.651 20 0 HCADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCO1 ZINC000494881138 1077664276 /nfs/dbraw/zinc/66/42/76/1077664276.db2.gz FWYOAOJWZIGALN-OXJNMPFZSA-N 1 2 403.483 0.651 20 0 HCADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCO1 ZINC000494881138 1077664273 /nfs/dbraw/zinc/66/42/73/1077664273.db2.gz FWYOAOJWZIGALN-OXJNMPFZSA-N 1 2 403.483 0.651 20 0 HCADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCO1 ZINC000494881140 1077664245 /nfs/dbraw/zinc/66/42/45/1077664245.db2.gz FWYOAOJWZIGALN-OXQOHEQNSA-N 1 2 403.483 0.651 20 0 HCADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCO1 ZINC000494881140 1077664242 /nfs/dbraw/zinc/66/42/42/1077664242.db2.gz FWYOAOJWZIGALN-OXQOHEQNSA-N 1 2 403.483 0.651 20 0 HCADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCO1 ZINC000494881141 1077664320 /nfs/dbraw/zinc/66/43/20/1077664320.db2.gz FWYOAOJWZIGALN-UZLBHIALSA-N 1 2 403.483 0.651 20 0 HCADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCO1 ZINC000494881141 1077664317 /nfs/dbraw/zinc/66/43/17/1077664317.db2.gz FWYOAOJWZIGALN-UZLBHIALSA-N 1 2 403.483 0.651 20 0 HCADLO CC[C@H]1C[N@@H+](CCNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCO1 ZINC000494886833 1077667138 /nfs/dbraw/zinc/66/71/38/1077667138.db2.gz QRXZSBXOPZJXAH-IBGZPJMESA-N 1 2 403.527 0.745 20 0 HCADLO CC[C@H]1C[N@H+](CCNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCO1 ZINC000494886833 1077667125 /nfs/dbraw/zinc/66/71/25/1077667125.db2.gz QRXZSBXOPZJXAH-IBGZPJMESA-N 1 2 403.527 0.745 20 0 HCADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCO1 ZINC000494886834 1077667212 /nfs/dbraw/zinc/66/72/12/1077667212.db2.gz QRXZSBXOPZJXAH-LJQANCHMSA-N 1 2 403.527 0.745 20 0 HCADLO CC[C@@H]1C[N@H+](CCNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCO1 ZINC000494886834 1077667210 /nfs/dbraw/zinc/66/72/10/1077667210.db2.gz QRXZSBXOPZJXAH-LJQANCHMSA-N 1 2 403.527 0.745 20 0 HCADLO CCn1cc(-c2nn(C)cc2C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000494886898 1077667159 /nfs/dbraw/zinc/66/71/59/1077667159.db2.gz BBJUIKFGIAUBPQ-UHFFFAOYSA-N 1 2 420.481 0.943 20 0 HCADLO Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000494887589 1077667737 /nfs/dbraw/zinc/66/77/37/1077667737.db2.gz DSFLDQZLVULFRH-UHFFFAOYSA-N 1 2 406.454 0.553 20 0 HCADLO CCn1cc(-c2n[nH]cc2C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000494888315 1077665695 /nfs/dbraw/zinc/66/56/95/1077665695.db2.gz HJYMAWRTIATEPW-UHFFFAOYSA-N 1 2 406.454 0.932 20 0 HCADLO COCCN(C(=O)CN1CC[N@@H+](C)CC12CCCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000494892693 1077666565 /nfs/dbraw/zinc/66/65/65/1077666565.db2.gz LPPZSHBVCPYVIS-KRWDZBQOSA-N 1 2 401.573 0.599 20 0 HCADLO COCCN(C(=O)CN1CC[N@H+](C)CC12CCCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000494892693 1077666562 /nfs/dbraw/zinc/66/65/62/1077666562.db2.gz LPPZSHBVCPYVIS-KRWDZBQOSA-N 1 2 401.573 0.599 20 0 HCADLO COCCN(C(=O)CN1CC[N@@H+](C)CC12CCCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000494892695 1077666663 /nfs/dbraw/zinc/66/66/63/1077666663.db2.gz LPPZSHBVCPYVIS-QGZVFWFLSA-N 1 2 401.573 0.599 20 0 HCADLO COCCN(C(=O)CN1CC[N@H+](C)CC12CCCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000494892695 1077666661 /nfs/dbraw/zinc/66/66/61/1077666661.db2.gz LPPZSHBVCPYVIS-QGZVFWFLSA-N 1 2 401.573 0.599 20 0 HCADLO Cc1cnn(-c2c(C(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)c(C)nn2C)c1 ZINC000494893274 1077666686 /nfs/dbraw/zinc/66/66/86/1077666686.db2.gz VWNFMEXORJLRDU-UHFFFAOYSA-N 1 2 420.481 0.862 20 0 HCADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCO1 ZINC000494894238 1077669639 /nfs/dbraw/zinc/66/96/39/1077669639.db2.gz RQLJSXQFGFDFPQ-GOSISDBHSA-N 1 2 418.542 0.693 20 0 HCADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCO1 ZINC000494894238 1077669633 /nfs/dbraw/zinc/66/96/33/1077669633.db2.gz RQLJSXQFGFDFPQ-GOSISDBHSA-N 1 2 418.542 0.693 20 0 HCADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCO1 ZINC000494894239 1077669707 /nfs/dbraw/zinc/66/97/07/1077669707.db2.gz RQLJSXQFGFDFPQ-SFHVURJKSA-N 1 2 418.542 0.693 20 0 HCADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCO1 ZINC000494894239 1077669701 /nfs/dbraw/zinc/66/97/01/1077669701.db2.gz RQLJSXQFGFDFPQ-SFHVURJKSA-N 1 2 418.542 0.693 20 0 HCADLO C[C@@H](N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1)C(F)(F)F ZINC000494904180 1077669178 /nfs/dbraw/zinc/66/91/78/1077669178.db2.gz XDYGIKHXTHSWFC-GFCCVEGCSA-N 1 2 402.421 0.392 20 0 HCADLO C[C@H](N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1)C(F)(F)F ZINC000494904181 1077669278 /nfs/dbraw/zinc/66/92/78/1077669278.db2.gz XDYGIKHXTHSWFC-LBPRGKRZSA-N 1 2 402.421 0.392 20 0 HCADLO COC(=O)C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000494918180 1077670747 /nfs/dbraw/zinc/67/07/47/1077670747.db2.gz DHUPLCWASOHADR-IBGZPJMESA-N 1 2 405.495 0.603 20 0 HCADLO COC(=O)C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000494918181 1077670624 /nfs/dbraw/zinc/67/06/24/1077670624.db2.gz DHUPLCWASOHADR-LJQANCHMSA-N 1 2 405.495 0.603 20 0 HCADLO CCCCn1c2nc(C[NH+]3CCC(OCCC(=O)NC)CC3)n(C)c2c(=O)[nH]c1=O ZINC000494925433 1077677508 /nfs/dbraw/zinc/67/75/08/1077677508.db2.gz QVRSTOHQLOPHGI-UHFFFAOYSA-N 1 2 420.514 0.753 20 0 HCADLO COC(=O)C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000494931155 1077674632 /nfs/dbraw/zinc/67/46/32/1077674632.db2.gz QDCVRBVUFILNLT-IBGZPJMESA-N 1 2 417.506 0.530 20 0 HCADLO COC(=O)C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000494931156 1077674530 /nfs/dbraw/zinc/67/45/30/1077674530.db2.gz QDCVRBVUFILNLT-LJQANCHMSA-N 1 2 417.506 0.530 20 0 HCADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2c(Br)cnn2C)CC1 ZINC000494931858 1077674549 /nfs/dbraw/zinc/67/45/49/1077674549.db2.gz PQFHHZPCJSLRFU-CYBMUJFWSA-N 1 2 400.321 0.548 20 0 HCADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2c(Br)cnn2C)CC1 ZINC000494931859 1077674787 /nfs/dbraw/zinc/67/47/87/1077674787.db2.gz PQFHHZPCJSLRFU-ZDUSSCGKSA-N 1 2 400.321 0.548 20 0 HCADLO CNC(=O)CCOC1CC[NH+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000494939176 1077681500 /nfs/dbraw/zinc/68/15/00/1077681500.db2.gz QLPAWWPSMYDYDG-UHFFFAOYSA-N 1 2 402.451 0.468 20 0 HCADLO COC(=O)C[C@H]1CN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCO1 ZINC000494948765 1077680381 /nfs/dbraw/zinc/68/03/81/1077680381.db2.gz COAUSVREMYSPOZ-KRWDZBQOSA-N 1 2 419.526 0.821 20 0 HCADLO COC(=O)C[C@@H]1CN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCO1 ZINC000494948766 1077680475 /nfs/dbraw/zinc/68/04/75/1077680475.db2.gz COAUSVREMYSPOZ-QGZVFWFLSA-N 1 2 419.526 0.821 20 0 HCADLO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000494960628 1077684862 /nfs/dbraw/zinc/68/48/62/1077684862.db2.gz YDCLKESDFRIXFU-UHFFFAOYSA-N 1 2 404.577 0.989 20 0 HCADLO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000494960628 1077684855 /nfs/dbraw/zinc/68/48/55/1077684855.db2.gz YDCLKESDFRIXFU-UHFFFAOYSA-N 1 2 404.577 0.989 20 0 HCADLO CNC(=O)CCOC1CC[NH+](Cc2nc(N)nc(Nc3ccccc3OC)n2)CC1 ZINC000494967571 1077689973 /nfs/dbraw/zinc/68/99/73/1077689973.db2.gz ABISRQRFKATRCG-UHFFFAOYSA-N 1 2 415.498 0.745 20 0 HCADLO COC(=O)C[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000494971653 1077687434 /nfs/dbraw/zinc/68/74/34/1077687434.db2.gz HZZYXGYVZPJMCP-IBGZPJMESA-N 1 2 405.495 0.399 20 0 HCADLO COC(=O)C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000494971659 1077687407 /nfs/dbraw/zinc/68/74/07/1077687407.db2.gz HZZYXGYVZPJMCP-LJQANCHMSA-N 1 2 405.495 0.399 20 0 HCADLO O=C(NCCc1cscn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000494971765 1077687331 /nfs/dbraw/zinc/68/73/31/1077687331.db2.gz JQMRDZSGXDIQDV-UHFFFAOYSA-N 1 2 403.512 0.844 20 0 HCADLO O=C(NCCc1cscn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000494971765 1077687324 /nfs/dbraw/zinc/68/73/24/1077687324.db2.gz JQMRDZSGXDIQDV-UHFFFAOYSA-N 1 2 403.512 0.844 20 0 HCADLO O=C(CCNC(=O)N1CCc2cc[nH]c(=O)c2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000494982235 1077690536 /nfs/dbraw/zinc/69/05/36/1077690536.db2.gz VQXWDDDEEANLPN-UHFFFAOYSA-N 1 2 410.478 0.989 20 0 HCADLO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000494983131 1077691212 /nfs/dbraw/zinc/69/12/12/1077691212.db2.gz XQGPCXPHCKHYTM-UHFFFAOYSA-N 1 2 404.577 0.989 20 0 HCADLO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000494983131 1077691204 /nfs/dbraw/zinc/69/12/04/1077691204.db2.gz XQGPCXPHCKHYTM-UHFFFAOYSA-N 1 2 404.577 0.989 20 0 HCADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@@H+](C)C[C@@H]3CCOC3)nc(=O)c12 ZINC000494992568 1077696671 /nfs/dbraw/zinc/69/66/71/1077696671.db2.gz GWHPGOJPBYIWBQ-JTQLQIEISA-N 1 2 409.464 0.955 20 0 HCADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@H+](C)C[C@@H]3CCOC3)nc(=O)c12 ZINC000494992568 1077696667 /nfs/dbraw/zinc/69/66/67/1077696667.db2.gz GWHPGOJPBYIWBQ-JTQLQIEISA-N 1 2 409.464 0.955 20 0 HCADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@@H+](C)C[C@H]3CCOC3)nc(=O)c12 ZINC000494992569 1077696573 /nfs/dbraw/zinc/69/65/73/1077696573.db2.gz GWHPGOJPBYIWBQ-SNVBAGLBSA-N 1 2 409.464 0.955 20 0 HCADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@H+](C)C[C@H]3CCOC3)nc(=O)c12 ZINC000494992569 1077696568 /nfs/dbraw/zinc/69/65/68/1077696568.db2.gz GWHPGOJPBYIWBQ-SNVBAGLBSA-N 1 2 409.464 0.955 20 0 HCADLO C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000495001003 1077694984 /nfs/dbraw/zinc/69/49/84/1077694984.db2.gz YQUVZMZPCIQPTG-CABCVRRESA-N 1 2 404.577 0.988 20 0 HCADLO C[C@H](NC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000495001004 1077695093 /nfs/dbraw/zinc/69/50/93/1077695093.db2.gz YQUVZMZPCIQPTG-GJZGRUSLSA-N 1 2 404.577 0.988 20 0 HCADLO C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000495001005 1077694864 /nfs/dbraw/zinc/69/48/64/1077694864.db2.gz YQUVZMZPCIQPTG-HUUCEWRRSA-N 1 2 404.577 0.988 20 0 HCADLO C[C@H]([C@H](C)NC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000495001006 1077694826 /nfs/dbraw/zinc/69/48/26/1077694826.db2.gz YQUVZMZPCIQPTG-LSDHHAIUSA-N 1 2 404.577 0.988 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000495001602 1077696099 /nfs/dbraw/zinc/69/60/99/1077696099.db2.gz YCADNTLNOIZOCS-KRWDZBQOSA-N 1 2 404.515 0.626 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000495001603 1077696031 /nfs/dbraw/zinc/69/60/31/1077696031.db2.gz YCADNTLNOIZOCS-QGZVFWFLSA-N 1 2 404.515 0.626 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N(CCO)Cc1cccc(F)c1 ZINC000495025244 1077703011 /nfs/dbraw/zinc/70/30/11/1077703011.db2.gz MRFRBOMSCYMCDQ-UHFFFAOYSA-N 1 2 402.474 0.942 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000495033041 1077706707 /nfs/dbraw/zinc/70/67/07/1077706707.db2.gz XYMSMWHKYWGMDZ-UHFFFAOYSA-N 1 2 421.452 0.954 20 0 HCADLO COCc1cccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000495035053 1077707077 /nfs/dbraw/zinc/70/70/77/1077707077.db2.gz BCRLBMPYKIVEQR-UHFFFAOYSA-N 1 2 410.540 0.012 20 0 HCADLO Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000495039189 1077707978 /nfs/dbraw/zinc/70/79/78/1077707978.db2.gz YGSIMMMQQZGUGT-UHFFFAOYSA-N 1 2 407.478 0.971 20 0 HCADLO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000495056080 1077722952 /nfs/dbraw/zinc/72/29/52/1077722952.db2.gz BHIAKXGFGUUHDH-UHFFFAOYSA-N 1 2 404.577 0.989 20 0 HCADLO O=C(C[N@H+](CCCO)[C@H]1CCCc2ccccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000495058770 1077724392 /nfs/dbraw/zinc/72/43/92/1077724392.db2.gz KMIOQEAKAZOIDW-AEFFLSMTSA-N 1 2 423.535 0.761 20 0 HCADLO O=C(C[N@@H+](CCCO)[C@H]1CCCc2ccccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000495058770 1077724384 /nfs/dbraw/zinc/72/43/84/1077724384.db2.gz KMIOQEAKAZOIDW-AEFFLSMTSA-N 1 2 423.535 0.761 20 0 HCADLO O=C(C[N@H+](CCCO)[C@@H]1CCCc2ccccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000495058771 1077724578 /nfs/dbraw/zinc/72/45/78/1077724578.db2.gz KMIOQEAKAZOIDW-FUHWJXTLSA-N 1 2 423.535 0.761 20 0 HCADLO O=C(C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000495058771 1077724567 /nfs/dbraw/zinc/72/45/67/1077724567.db2.gz KMIOQEAKAZOIDW-FUHWJXTLSA-N 1 2 423.535 0.761 20 0 HCADLO O=C(C[N@H+](CCCO)[C@@H]1CCCc2ccccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000495058772 1077724497 /nfs/dbraw/zinc/72/44/97/1077724497.db2.gz KMIOQEAKAZOIDW-SJLPKXTDSA-N 1 2 423.535 0.761 20 0 HCADLO O=C(C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000495058772 1077724488 /nfs/dbraw/zinc/72/44/88/1077724488.db2.gz KMIOQEAKAZOIDW-SJLPKXTDSA-N 1 2 423.535 0.761 20 0 HCADLO O=C(C[N@H+](CCCO)[C@H]1CCCc2ccccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000495058773 1077724344 /nfs/dbraw/zinc/72/43/44/1077724344.db2.gz KMIOQEAKAZOIDW-WMZOPIPTSA-N 1 2 423.535 0.761 20 0 HCADLO O=C(C[N@@H+](CCCO)[C@H]1CCCc2ccccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000495058773 1077724335 /nfs/dbraw/zinc/72/43/35/1077724335.db2.gz KMIOQEAKAZOIDW-WMZOPIPTSA-N 1 2 423.535 0.761 20 0 HCADLO C[C@@]1(c2cccc(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)c2)NC(=O)NC1=O ZINC000495076145 1077731905 /nfs/dbraw/zinc/73/19/05/1077731905.db2.gz XZQPXHRIGLNDHH-PMACEKPBSA-N 1 2 418.519 0.679 20 0 HCADLO C[C@]1(c2cccc(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)c2)NC(=O)NC1=O ZINC000495076146 1077732091 /nfs/dbraw/zinc/73/20/91/1077732091.db2.gz XZQPXHRIGLNDHH-UXHICEINSA-N 1 2 418.519 0.679 20 0 HCADLO C[C@@]1(c2cccc(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)c2)NC(=O)NC1=O ZINC000495076147 1077731843 /nfs/dbraw/zinc/73/18/43/1077731843.db2.gz XZQPXHRIGLNDHH-VQTJNVASSA-N 1 2 418.519 0.679 20 0 HCADLO C[C@]1(c2cccc(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)c2)NC(=O)NC1=O ZINC000495076148 1077731932 /nfs/dbraw/zinc/73/19/32/1077731932.db2.gz XZQPXHRIGLNDHH-WOJBJXKFSA-N 1 2 418.519 0.679 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000495081077 1077734116 /nfs/dbraw/zinc/73/41/16/1077734116.db2.gz SMWVXGSEXPHOMV-NRFANRHFSA-N 1 2 421.542 0.548 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000495081077 1077734104 /nfs/dbraw/zinc/73/41/04/1077734104.db2.gz SMWVXGSEXPHOMV-NRFANRHFSA-N 1 2 421.542 0.548 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000495081078 1077733868 /nfs/dbraw/zinc/73/38/68/1077733868.db2.gz SMWVXGSEXPHOMV-OAQYLSRUSA-N 1 2 421.542 0.548 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000495081078 1077733860 /nfs/dbraw/zinc/73/38/60/1077733860.db2.gz SMWVXGSEXPHOMV-OAQYLSRUSA-N 1 2 421.542 0.548 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000495081671 1077734711 /nfs/dbraw/zinc/73/47/11/1077734711.db2.gz UKULROKRCQUPMY-FQEVSTJZSA-N 1 2 401.467 0.025 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000495081671 1077734705 /nfs/dbraw/zinc/73/47/05/1077734705.db2.gz UKULROKRCQUPMY-FQEVSTJZSA-N 1 2 401.467 0.025 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000495081672 1077734622 /nfs/dbraw/zinc/73/46/22/1077734622.db2.gz UKULROKRCQUPMY-HXUWFJFHSA-N 1 2 401.467 0.025 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000495081672 1077734613 /nfs/dbraw/zinc/73/46/13/1077734613.db2.gz UKULROKRCQUPMY-HXUWFJFHSA-N 1 2 401.467 0.025 20 0 HCADLO CC[C@@H](C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000495097669 1077739162 /nfs/dbraw/zinc/73/91/62/1077739162.db2.gz IPWCJWUKJLVHOY-BBWFWOEESA-N 1 2 404.577 0.653 20 0 HCADLO CC[C@@H](C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000495097669 1077739150 /nfs/dbraw/zinc/73/91/50/1077739150.db2.gz IPWCJWUKJLVHOY-BBWFWOEESA-N 1 2 404.577 0.653 20 0 HCADLO CC[C@H](C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000495097670 1077739115 /nfs/dbraw/zinc/73/91/15/1077739115.db2.gz IPWCJWUKJLVHOY-BRWVUGGUSA-N 1 2 404.577 0.653 20 0 HCADLO CC[C@H](C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000495097670 1077739112 /nfs/dbraw/zinc/73/91/12/1077739112.db2.gz IPWCJWUKJLVHOY-BRWVUGGUSA-N 1 2 404.577 0.653 20 0 HCADLO CC[C@H](C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000495097671 1077738909 /nfs/dbraw/zinc/73/89/09/1077738909.db2.gz IPWCJWUKJLVHOY-GVDBMIGSSA-N 1 2 404.577 0.653 20 0 HCADLO CC[C@H](C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000495097671 1077738904 /nfs/dbraw/zinc/73/89/04/1077738904.db2.gz IPWCJWUKJLVHOY-GVDBMIGSSA-N 1 2 404.577 0.653 20 0 HCADLO CC[C@@H](C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000495097672 1077738974 /nfs/dbraw/zinc/73/89/74/1077738974.db2.gz IPWCJWUKJLVHOY-ZACQAIPSSA-N 1 2 404.577 0.653 20 0 HCADLO CC[C@@H](C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000495097672 1077738963 /nfs/dbraw/zinc/73/89/63/1077738963.db2.gz IPWCJWUKJLVHOY-ZACQAIPSSA-N 1 2 404.577 0.653 20 0 HCADLO CCOc1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000495146036 1077744762 /nfs/dbraw/zinc/74/47/62/1077744762.db2.gz IIUZCNRXANNBTJ-UHFFFAOYSA-N 1 2 400.520 0.834 20 0 HCADLO Cc1nc(CCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000495182300 1077750847 /nfs/dbraw/zinc/75/08/47/1077750847.db2.gz GFDWBPANEMGBTR-UHFFFAOYSA-N 1 2 415.585 0.411 20 0 HCADLO COc1ccc([C@@H](C)CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000495187223 1077751532 /nfs/dbraw/zinc/75/15/32/1077751532.db2.gz XIDZGAKIKVMIHH-KRWDZBQOSA-N 1 2 424.567 0.825 20 0 HCADLO COc1ccc([C@H](C)CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000495187227 1077751628 /nfs/dbraw/zinc/75/16/28/1077751628.db2.gz XIDZGAKIKVMIHH-QGZVFWFLSA-N 1 2 424.567 0.825 20 0 HCADLO COC(=O)CCc1csc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000495192870 1077752423 /nfs/dbraw/zinc/75/24/23/1077752423.db2.gz JGHNPFCDLWKKDX-UHFFFAOYSA-N 1 2 419.511 0.982 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@](O)(C2CC2)C1 ZINC000495194646 1077752978 /nfs/dbraw/zinc/75/29/78/1077752978.db2.gz OKPCMWKZXKQJAE-DYESRHJHSA-N 1 2 416.526 0.838 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@](O)(C2CC2)C1 ZINC000495194646 1077752970 /nfs/dbraw/zinc/75/29/70/1077752970.db2.gz OKPCMWKZXKQJAE-DYESRHJHSA-N 1 2 416.526 0.838 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@](O)(C2CC2)C1 ZINC000495194647 1077753193 /nfs/dbraw/zinc/75/31/93/1077753193.db2.gz OKPCMWKZXKQJAE-LAUBAEHRSA-N 1 2 416.526 0.838 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@](O)(C2CC2)C1 ZINC000495194647 1077753188 /nfs/dbraw/zinc/75/31/88/1077753188.db2.gz OKPCMWKZXKQJAE-LAUBAEHRSA-N 1 2 416.526 0.838 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@@](O)(C2CC2)C1 ZINC000495194648 1077752891 /nfs/dbraw/zinc/75/28/91/1077752891.db2.gz OKPCMWKZXKQJAE-UTKZUKDTSA-N 1 2 416.526 0.838 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@@](O)(C2CC2)C1 ZINC000495194648 1077752883 /nfs/dbraw/zinc/75/28/83/1077752883.db2.gz OKPCMWKZXKQJAE-UTKZUKDTSA-N 1 2 416.526 0.838 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@@](O)(C2CC2)C1 ZINC000495194649 1077753615 /nfs/dbraw/zinc/75/36/15/1077753615.db2.gz OKPCMWKZXKQJAE-UWJYYQICSA-N 1 2 416.526 0.838 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@@](O)(C2CC2)C1 ZINC000495194649 1077753608 /nfs/dbraw/zinc/75/36/08/1077753608.db2.gz OKPCMWKZXKQJAE-UWJYYQICSA-N 1 2 416.526 0.838 20 0 HCADLO C[C@@H]1[C@@H](CO)CCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495196481 1077753726 /nfs/dbraw/zinc/75/37/26/1077753726.db2.gz URZITFSSNPXEJZ-BRWVUGGUSA-N 1 2 404.515 0.694 20 0 HCADLO C[C@@H]1[C@@H](CO)CCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495196481 1077753719 /nfs/dbraw/zinc/75/37/19/1077753719.db2.gz URZITFSSNPXEJZ-BRWVUGGUSA-N 1 2 404.515 0.694 20 0 HCADLO C[C@@H]1[C@H](CO)CCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495196482 1077753667 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NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nc1 ZINC000495204018 1077754415 /nfs/dbraw/zinc/75/44/15/1077754415.db2.gz YOBOEEIWEVTTCU-OAHLLOKOSA-N 1 2 411.466 0.206 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nc1 ZINC000495204018 1077754396 /nfs/dbraw/zinc/75/43/96/1077754396.db2.gz YOBOEEIWEVTTCU-OAHLLOKOSA-N 1 2 411.466 0.206 20 0 HCADLO CCN1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@@H](C)C1=O ZINC000495215718 1077761516 /nfs/dbraw/zinc/76/15/16/1077761516.db2.gz RRNWNWUPRSYDTJ-KRWDZBQOSA-N 1 2 400.523 0.818 20 0 HCADLO CCN1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H](C)C1=O ZINC000495215719 1077761617 /nfs/dbraw/zinc/76/16/17/1077761617.db2.gz RRNWNWUPRSYDTJ-QGZVFWFLSA-N 1 2 400.523 0.818 20 0 HCADLO O=C(NCCCn1cccn1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495218930 1077765535 /nfs/dbraw/zinc/76/55/35/1077765535.db2.gz PKKLQCAMEDGVIQ-KRWDZBQOSA-N 1 2 414.514 0.868 20 0 HCADLO O=C(NCCCn1cccn1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495218930 1077765528 /nfs/dbraw/zinc/76/55/28/1077765528.db2.gz PKKLQCAMEDGVIQ-KRWDZBQOSA-N 1 2 414.514 0.868 20 0 HCADLO O=C(NCCCn1cccn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495218940 1077765223 /nfs/dbraw/zinc/76/52/23/1077765223.db2.gz PKKLQCAMEDGVIQ-QGZVFWFLSA-N 1 2 414.514 0.868 20 0 HCADLO O=C(NCCCn1cccn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495218940 1077765218 /nfs/dbraw/zinc/76/52/18/1077765218.db2.gz PKKLQCAMEDGVIQ-QGZVFWFLSA-N 1 2 414.514 0.868 20 0 HCADLO CC(C)NC(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495219965 1077766092 /nfs/dbraw/zinc/76/60/92/1077766092.db2.gz REFMGHBXMAIETH-INIZCTEOSA-N 1 2 419.530 0.496 20 0 HCADLO CC(C)NC(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495219965 1077766080 /nfs/dbraw/zinc/76/60/80/1077766080.db2.gz REFMGHBXMAIETH-INIZCTEOSA-N 1 2 419.530 0.496 20 0 HCADLO CC(C)NC(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495219966 1077765991 /nfs/dbraw/zinc/76/59/91/1077765991.db2.gz REFMGHBXMAIETH-MRXNPFEDSA-N 1 2 419.530 0.496 20 0 HCADLO CC(C)NC(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495219966 1077765982 /nfs/dbraw/zinc/76/59/82/1077765982.db2.gz REFMGHBXMAIETH-MRXNPFEDSA-N 1 2 419.530 0.496 20 0 HCADLO Cc1noc(CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495221302 1077766524 /nfs/dbraw/zinc/76/65/24/1077766524.db2.gz UCDBVJFRWCTBKO-HNNXBMFYSA-N 1 2 401.471 0.722 20 0 HCADLO Cc1noc(CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495221302 1077766517 /nfs/dbraw/zinc/76/65/17/1077766517.db2.gz UCDBVJFRWCTBKO-HNNXBMFYSA-N 1 2 401.471 0.722 20 0 HCADLO Cc1noc(CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495221305 1077766564 /nfs/dbraw/zinc/76/65/64/1077766564.db2.gz UCDBVJFRWCTBKO-OAHLLOKOSA-N 1 2 401.471 0.722 20 0 HCADLO Cc1noc(CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495221305 1077766560 /nfs/dbraw/zinc/76/65/60/1077766560.db2.gz UCDBVJFRWCTBKO-OAHLLOKOSA-N 1 2 401.471 0.722 20 0 HCADLO CC(C)C(=O)NCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495223237 1077767348 /nfs/dbraw/zinc/76/73/48/1077767348.db2.gz YEKZZWGBXJRQLH-INIZCTEOSA-N 1 2 419.530 0.353 20 0 HCADLO CC(C)C(=O)NCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495223237 1077767337 /nfs/dbraw/zinc/76/73/37/1077767337.db2.gz YEKZZWGBXJRQLH-INIZCTEOSA-N 1 2 419.530 0.353 20 0 HCADLO CC(C)C(=O)NCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495223238 1077767454 /nfs/dbraw/zinc/76/74/54/1077767454.db2.gz YEKZZWGBXJRQLH-MRXNPFEDSA-N 1 2 419.530 0.353 20 0 HCADLO CC(C)C(=O)NCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495223238 1077767451 /nfs/dbraw/zinc/76/74/51/1077767451.db2.gz YEKZZWGBXJRQLH-MRXNPFEDSA-N 1 2 419.530 0.353 20 0 HCADLO COC(=O)CCCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495223716 1077767987 /nfs/dbraw/zinc/76/79/87/1077767987.db2.gz ZXODIOLOWVJNKQ-INIZCTEOSA-N 1 2 420.514 0.925 20 0 HCADLO COC(=O)CCCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495223716 1077767975 /nfs/dbraw/zinc/76/79/75/1077767975.db2.gz ZXODIOLOWVJNKQ-INIZCTEOSA-N 1 2 420.514 0.925 20 0 HCADLO COC(=O)CCCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495223720 1077767828 /nfs/dbraw/zinc/76/78/28/1077767828.db2.gz ZXODIOLOWVJNKQ-MRXNPFEDSA-N 1 2 420.514 0.925 20 0 HCADLO COC(=O)CCCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495223720 1077767810 /nfs/dbraw/zinc/76/78/10/1077767810.db2.gz ZXODIOLOWVJNKQ-MRXNPFEDSA-N 1 2 420.514 0.925 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+]2CC[C@@](O)(CC)C2)c(N)n(Cc2ccccc2)c1=O ZINC000495227122 1077763375 /nfs/dbraw/zinc/76/33/75/1077763375.db2.gz WNVKVXHEFUTEGF-NRFANRHFSA-N 1 2 400.479 0.690 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+]2CC[C@@](O)(CC)C2)c(N)n(Cc2ccccc2)c1=O ZINC000495227122 1077763368 /nfs/dbraw/zinc/76/33/68/1077763368.db2.gz WNVKVXHEFUTEGF-NRFANRHFSA-N 1 2 400.479 0.690 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+]2CC[C@](O)(CC)C2)c(N)n(Cc2ccccc2)c1=O ZINC000495227124 1077763247 /nfs/dbraw/zinc/76/32/47/1077763247.db2.gz WNVKVXHEFUTEGF-OAQYLSRUSA-N 1 2 400.479 0.690 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+]2CC[C@](O)(CC)C2)c(N)n(Cc2ccccc2)c1=O ZINC000495227124 1077763238 /nfs/dbraw/zinc/76/32/38/1077763238.db2.gz WNVKVXHEFUTEGF-OAQYLSRUSA-N 1 2 400.479 0.690 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000495236010 1077769013 /nfs/dbraw/zinc/76/90/13/1077769013.db2.gz DSCCSRBUNSIBOH-CYBMUJFWSA-N 1 2 416.507 0.872 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000495236010 1077769003 /nfs/dbraw/zinc/76/90/03/1077769003.db2.gz DSCCSRBUNSIBOH-CYBMUJFWSA-N 1 2 416.507 0.872 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000495236011 1077769228 /nfs/dbraw/zinc/76/92/28/1077769228.db2.gz DSCCSRBUNSIBOH-ZDUSSCGKSA-N 1 2 416.507 0.872 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000495236011 1077769214 /nfs/dbraw/zinc/76/92/14/1077769214.db2.gz DSCCSRBUNSIBOH-ZDUSSCGKSA-N 1 2 416.507 0.872 20 0 HCADLO C[C@@H](Cn1cccn1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495239142 1077771396 /nfs/dbraw/zinc/77/13/96/1077771396.db2.gz NCPNFNYLDCQUCE-DLBZAZTESA-N 1 2 414.514 0.866 20 0 HCADLO C[C@@H](Cn1cccn1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495239142 1077771387 /nfs/dbraw/zinc/77/13/87/1077771387.db2.gz NCPNFNYLDCQUCE-DLBZAZTESA-N 1 2 414.514 0.866 20 0 HCADLO C[C@H](Cn1cccn1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495239144 1077771200 /nfs/dbraw/zinc/77/12/00/1077771200.db2.gz NCPNFNYLDCQUCE-IAGOWNOFSA-N 1 2 414.514 0.866 20 0 HCADLO C[C@H](Cn1cccn1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495239144 1077771188 /nfs/dbraw/zinc/77/11/88/1077771188.db2.gz NCPNFNYLDCQUCE-IAGOWNOFSA-N 1 2 414.514 0.866 20 0 HCADLO C[C@@H](Cn1cccn1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495239145 1077771322 /nfs/dbraw/zinc/77/13/22/1077771322.db2.gz NCPNFNYLDCQUCE-IRXDYDNUSA-N 1 2 414.514 0.866 20 0 HCADLO C[C@@H](Cn1cccn1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495239145 1077771316 /nfs/dbraw/zinc/77/13/16/1077771316.db2.gz NCPNFNYLDCQUCE-IRXDYDNUSA-N 1 2 414.514 0.866 20 0 HCADLO C[C@H](Cn1cccn1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495239146 1077771437 /nfs/dbraw/zinc/77/14/37/1077771437.db2.gz NCPNFNYLDCQUCE-SJORKVTESA-N 1 2 414.514 0.866 20 0 HCADLO C[C@H](Cn1cccn1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495239146 1077771426 /nfs/dbraw/zinc/77/14/26/1077771426.db2.gz NCPNFNYLDCQUCE-SJORKVTESA-N 1 2 414.514 0.866 20 0 HCADLO O=C(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCCC1 ZINC000495241238 1077773257 /nfs/dbraw/zinc/77/32/57/1077773257.db2.gz SVVNKAGMRUGECS-INIZCTEOSA-N 1 2 417.514 0.204 20 0 HCADLO O=C(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCCC1 ZINC000495241238 1077773247 /nfs/dbraw/zinc/77/32/47/1077773247.db2.gz SVVNKAGMRUGECS-INIZCTEOSA-N 1 2 417.514 0.204 20 0 HCADLO O=C(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCCC1 ZINC000495241239 1077773384 /nfs/dbraw/zinc/77/33/84/1077773384.db2.gz SVVNKAGMRUGECS-MRXNPFEDSA-N 1 2 417.514 0.204 20 0 HCADLO O=C(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCCC1 ZINC000495241239 1077773376 /nfs/dbraw/zinc/77/33/76/1077773376.db2.gz SVVNKAGMRUGECS-MRXNPFEDSA-N 1 2 417.514 0.204 20 0 HCADLO CN(C)C(=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495242314 1077775664 /nfs/dbraw/zinc/77/56/64/1077775664.db2.gz XKEISEJFBQWEJN-INIZCTEOSA-N 1 2 419.530 0.450 20 0 HCADLO CN(C)C(=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495242314 1077775659 /nfs/dbraw/zinc/77/56/59/1077775659.db2.gz XKEISEJFBQWEJN-INIZCTEOSA-N 1 2 419.530 0.450 20 0 HCADLO CN(C)C(=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495242315 1077775500 /nfs/dbraw/zinc/77/55/00/1077775500.db2.gz XKEISEJFBQWEJN-MRXNPFEDSA-N 1 2 419.530 0.450 20 0 HCADLO CN(C)C(=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495242315 1077775490 /nfs/dbraw/zinc/77/54/90/1077775490.db2.gz XKEISEJFBQWEJN-MRXNPFEDSA-N 1 2 419.530 0.450 20 0 HCADLO Cn1nccc1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495253571 1077780115 /nfs/dbraw/zinc/78/01/15/1077780115.db2.gz DIUXSEOTXRPCNV-HNNXBMFYSA-N 1 2 400.487 0.515 20 0 HCADLO Cn1nccc1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495253571 1077780110 /nfs/dbraw/zinc/78/01/10/1077780110.db2.gz DIUXSEOTXRPCNV-HNNXBMFYSA-N 1 2 400.487 0.515 20 0 HCADLO Cn1nccc1CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495253574 1077780199 /nfs/dbraw/zinc/78/01/99/1077780199.db2.gz DIUXSEOTXRPCNV-OAHLLOKOSA-N 1 2 400.487 0.515 20 0 HCADLO Cn1nccc1CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495253574 1077780185 /nfs/dbraw/zinc/78/01/85/1077780185.db2.gz DIUXSEOTXRPCNV-OAHLLOKOSA-N 1 2 400.487 0.515 20 0 HCADLO O=C(NCCNC(=O)C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495253627 1077780042 /nfs/dbraw/zinc/78/00/42/1077780042.db2.gz DREJYLAAFDUJIF-INIZCTEOSA-N 1 2 417.514 0.107 20 0 HCADLO O=C(NCCNC(=O)C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495253627 1077780035 /nfs/dbraw/zinc/78/00/35/1077780035.db2.gz DREJYLAAFDUJIF-INIZCTEOSA-N 1 2 417.514 0.107 20 0 HCADLO O=C(NCCNC(=O)C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495253630 1077780069 /nfs/dbraw/zinc/78/00/69/1077780069.db2.gz DREJYLAAFDUJIF-MRXNPFEDSA-N 1 2 417.514 0.107 20 0 HCADLO O=C(NCCNC(=O)C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495253630 1077780062 /nfs/dbraw/zinc/78/00/62/1077780062.db2.gz DREJYLAAFDUJIF-MRXNPFEDSA-N 1 2 417.514 0.107 20 0 HCADLO CCNC(=O)[C@@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495254499 1077780501 /nfs/dbraw/zinc/78/05/01/1077780501.db2.gz GNTMDXXHYDNIII-CABCVRRESA-N 1 2 405.503 0.106 20 0 HCADLO CCNC(=O)[C@@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495254499 1077780495 /nfs/dbraw/zinc/78/04/95/1077780495.db2.gz GNTMDXXHYDNIII-CABCVRRESA-N 1 2 405.503 0.106 20 0 HCADLO CCNC(=O)[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495254500 1077780462 /nfs/dbraw/zinc/78/04/62/1077780462.db2.gz GNTMDXXHYDNIII-GJZGRUSLSA-N 1 2 405.503 0.106 20 0 HCADLO CCNC(=O)[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495254500 1077780453 /nfs/dbraw/zinc/78/04/53/1077780453.db2.gz GNTMDXXHYDNIII-GJZGRUSLSA-N 1 2 405.503 0.106 20 0 HCADLO CCNC(=O)[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495254501 1077780632 /nfs/dbraw/zinc/78/06/32/1077780632.db2.gz GNTMDXXHYDNIII-HUUCEWRRSA-N 1 2 405.503 0.106 20 0 HCADLO CCNC(=O)[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495254501 1077780629 /nfs/dbraw/zinc/78/06/29/1077780629.db2.gz GNTMDXXHYDNIII-HUUCEWRRSA-N 1 2 405.503 0.106 20 0 HCADLO CCNC(=O)[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495254502 1077780689 /nfs/dbraw/zinc/78/06/89/1077780689.db2.gz GNTMDXXHYDNIII-LSDHHAIUSA-N 1 2 405.503 0.106 20 0 HCADLO CCNC(=O)[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495254502 1077780681 /nfs/dbraw/zinc/78/06/81/1077780681.db2.gz GNTMDXXHYDNIII-LSDHHAIUSA-N 1 2 405.503 0.106 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2nncn2c1 ZINC000495255135 1077781617 /nfs/dbraw/zinc/78/16/17/1077781617.db2.gz HZNQMEYYIIGFDW-INIZCTEOSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc2nncn2c1 ZINC000495255135 1077781609 /nfs/dbraw/zinc/78/16/09/1077781609.db2.gz HZNQMEYYIIGFDW-INIZCTEOSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2nncn2c1 ZINC000495255136 1077781658 /nfs/dbraw/zinc/78/16/58/1077781658.db2.gz HZNQMEYYIIGFDW-MRXNPFEDSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc2nncn2c1 ZINC000495255136 1077781650 /nfs/dbraw/zinc/78/16/50/1077781650.db2.gz HZNQMEYYIIGFDW-MRXNPFEDSA-N 1 2 408.466 0.755 20 0 HCADLO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495255141 1077781687 /nfs/dbraw/zinc/78/16/87/1077781687.db2.gz ICZJNJMKOYNHCW-CVEARBPZSA-N 1 2 419.530 0.625 20 0 HCADLO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495255141 1077781679 /nfs/dbraw/zinc/78/16/79/1077781679.db2.gz ICZJNJMKOYNHCW-CVEARBPZSA-N 1 2 419.530 0.625 20 0 HCADLO CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495255142 1077781592 /nfs/dbraw/zinc/78/15/92/1077781592.db2.gz ICZJNJMKOYNHCW-HOTGVXAUSA-N 1 2 419.530 0.625 20 0 HCADLO CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495255142 1077781583 /nfs/dbraw/zinc/78/15/83/1077781583.db2.gz ICZJNJMKOYNHCW-HOTGVXAUSA-N 1 2 419.530 0.625 20 0 HCADLO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495255143 1077781492 /nfs/dbraw/zinc/78/14/92/1077781492.db2.gz ICZJNJMKOYNHCW-HZPDHXFCSA-N 1 2 419.530 0.625 20 0 HCADLO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495255143 1077781486 /nfs/dbraw/zinc/78/14/86/1077781486.db2.gz ICZJNJMKOYNHCW-HZPDHXFCSA-N 1 2 419.530 0.625 20 0 HCADLO CCCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495255144 1077781397 /nfs/dbraw/zinc/78/13/97/1077781397.db2.gz ICZJNJMKOYNHCW-JKSUJKDBSA-N 1 2 419.530 0.625 20 0 HCADLO CCCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495255144 1077781389 /nfs/dbraw/zinc/78/13/89/1077781389.db2.gz ICZJNJMKOYNHCW-JKSUJKDBSA-N 1 2 419.530 0.625 20 0 HCADLO C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCOCC1 ZINC000495258150 1077780956 /nfs/dbraw/zinc/78/09/56/1077780956.db2.gz YMSNVPBJXLCOKT-DLBZAZTESA-N 1 2 404.515 0.119 20 0 HCADLO C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCOCC1 ZINC000495258150 1077780948 /nfs/dbraw/zinc/78/09/48/1077780948.db2.gz YMSNVPBJXLCOKT-DLBZAZTESA-N 1 2 404.515 0.119 20 0 HCADLO C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCOCC1 ZINC000495258151 1077781140 /nfs/dbraw/zinc/78/11/40/1077781140.db2.gz YMSNVPBJXLCOKT-IAGOWNOFSA-N 1 2 404.515 0.119 20 0 HCADLO C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCOCC1 ZINC000495258151 1077781133 /nfs/dbraw/zinc/78/11/33/1077781133.db2.gz YMSNVPBJXLCOKT-IAGOWNOFSA-N 1 2 404.515 0.119 20 0 HCADLO C[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCOCC1 ZINC000495258152 1077781224 /nfs/dbraw/zinc/78/12/24/1077781224.db2.gz YMSNVPBJXLCOKT-IRXDYDNUSA-N 1 2 404.515 0.119 20 0 HCADLO C[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCOCC1 ZINC000495258152 1077781222 /nfs/dbraw/zinc/78/12/22/1077781222.db2.gz YMSNVPBJXLCOKT-IRXDYDNUSA-N 1 2 404.515 0.119 20 0 HCADLO C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCOCC1 ZINC000495258153 1077781052 /nfs/dbraw/zinc/78/10/52/1077781052.db2.gz YMSNVPBJXLCOKT-SJORKVTESA-N 1 2 404.515 0.119 20 0 HCADLO C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCOCC1 ZINC000495258153 1077781045 /nfs/dbraw/zinc/78/10/45/1077781045.db2.gz YMSNVPBJXLCOKT-SJORKVTESA-N 1 2 404.515 0.119 20 0 HCADLO CCn1cc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495265261 1077785709 /nfs/dbraw/zinc/78/57/09/1077785709.db2.gz AHSFYIFWOVSQHH-HNNXBMFYSA-N 1 2 421.527 0.477 20 0 HCADLO CCn1cc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495265261 1077785695 /nfs/dbraw/zinc/78/56/95/1077785695.db2.gz AHSFYIFWOVSQHH-HNNXBMFYSA-N 1 2 421.527 0.477 20 0 HCADLO CCn1cc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495265262 1077785771 /nfs/dbraw/zinc/78/57/71/1077785771.db2.gz AHSFYIFWOVSQHH-OAHLLOKOSA-N 1 2 421.527 0.477 20 0 HCADLO CCn1cc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495265262 1077785765 /nfs/dbraw/zinc/78/57/65/1077785765.db2.gz AHSFYIFWOVSQHH-OAHLLOKOSA-N 1 2 421.527 0.477 20 0 HCADLO Cn1cc(CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495265538 1077785798 /nfs/dbraw/zinc/78/57/98/1077785798.db2.gz BFXGVIYOWRFKOS-KRWDZBQOSA-N 1 2 414.514 0.557 20 0 HCADLO Cn1cc(CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495265538 1077785792 /nfs/dbraw/zinc/78/57/92/1077785792.db2.gz BFXGVIYOWRFKOS-KRWDZBQOSA-N 1 2 414.514 0.557 20 0 HCADLO Cn1cc(CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495265539 1077785886 /nfs/dbraw/zinc/78/58/86/1077785886.db2.gz BFXGVIYOWRFKOS-QGZVFWFLSA-N 1 2 414.514 0.557 20 0 HCADLO Cn1cc(CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495265539 1077785878 /nfs/dbraw/zinc/78/58/78/1077785878.db2.gz BFXGVIYOWRFKOS-QGZVFWFLSA-N 1 2 414.514 0.557 20 0 HCADLO C[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N(C)C ZINC000495265949 1077786762 /nfs/dbraw/zinc/78/67/62/1077786762.db2.gz DRXRTBPKUONSRD-CABCVRRESA-N 1 2 405.503 0.058 20 0 HCADLO C[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N(C)C ZINC000495265949 1077786755 /nfs/dbraw/zinc/78/67/55/1077786755.db2.gz DRXRTBPKUONSRD-CABCVRRESA-N 1 2 405.503 0.058 20 0 HCADLO C[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N(C)C ZINC000495265957 1077786668 /nfs/dbraw/zinc/78/66/68/1077786668.db2.gz DRXRTBPKUONSRD-HUUCEWRRSA-N 1 2 405.503 0.058 20 0 HCADLO C[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N(C)C ZINC000495265957 1077786658 /nfs/dbraw/zinc/78/66/58/1077786658.db2.gz DRXRTBPKUONSRD-HUUCEWRRSA-N 1 2 405.503 0.058 20 0 HCADLO C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495266054 1077786806 /nfs/dbraw/zinc/78/68/06/1077786806.db2.gz DYTDUFBQCCKJFL-CVEARBPZSA-N 1 2 415.502 0.261 20 0 HCADLO C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495266054 1077786799 /nfs/dbraw/zinc/78/67/99/1077786799.db2.gz DYTDUFBQCCKJFL-CVEARBPZSA-N 1 2 415.502 0.261 20 0 HCADLO C[C@@H](Cn1cncn1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495266059 1077786631 /nfs/dbraw/zinc/78/66/31/1077786631.db2.gz DYTDUFBQCCKJFL-HOTGVXAUSA-N 1 2 415.502 0.261 20 0 HCADLO C[C@@H](Cn1cncn1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495266059 1077786625 /nfs/dbraw/zinc/78/66/25/1077786625.db2.gz DYTDUFBQCCKJFL-HOTGVXAUSA-N 1 2 415.502 0.261 20 0 HCADLO C[C@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495266061 1077786708 /nfs/dbraw/zinc/78/67/08/1077786708.db2.gz DYTDUFBQCCKJFL-HZPDHXFCSA-N 1 2 415.502 0.261 20 0 HCADLO C[C@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495266061 1077786697 /nfs/dbraw/zinc/78/66/97/1077786697.db2.gz DYTDUFBQCCKJFL-HZPDHXFCSA-N 1 2 415.502 0.261 20 0 HCADLO C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495266062 1077786843 /nfs/dbraw/zinc/78/68/43/1077786843.db2.gz DYTDUFBQCCKJFL-JKSUJKDBSA-N 1 2 415.502 0.261 20 0 HCADLO C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495266062 1077786832 /nfs/dbraw/zinc/78/68/32/1077786832.db2.gz DYTDUFBQCCKJFL-JKSUJKDBSA-N 1 2 415.502 0.261 20 0 HCADLO CCCCN(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495266530 1077786237 /nfs/dbraw/zinc/78/62/37/1077786237.db2.gz HHVLGJGMXWJVPC-INIZCTEOSA-N 1 2 412.560 0.848 20 0 HCADLO CCCCN(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495266530 1077786221 /nfs/dbraw/zinc/78/62/21/1077786221.db2.gz HHVLGJGMXWJVPC-INIZCTEOSA-N 1 2 412.560 0.848 20 0 HCADLO CCCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495266531 1077786371 /nfs/dbraw/zinc/78/63/71/1077786371.db2.gz HHVLGJGMXWJVPC-MRXNPFEDSA-N 1 2 412.560 0.848 20 0 HCADLO CCCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495266531 1077786364 /nfs/dbraw/zinc/78/63/64/1077786364.db2.gz HHVLGJGMXWJVPC-MRXNPFEDSA-N 1 2 412.560 0.848 20 0 HCADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccnc1 ZINC000495266808 1077787923 /nfs/dbraw/zinc/78/79/23/1077787923.db2.gz IETWHTFBAWJWMP-HNNXBMFYSA-N 1 2 404.496 0.656 20 0 HCADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cccnc1 ZINC000495266808 1077787914 /nfs/dbraw/zinc/78/79/14/1077787914.db2.gz IETWHTFBAWJWMP-HNNXBMFYSA-N 1 2 404.496 0.656 20 0 HCADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccnc1 ZINC000495266809 1077787733 /nfs/dbraw/zinc/78/77/33/1077787733.db2.gz IETWHTFBAWJWMP-OAHLLOKOSA-N 1 2 404.496 0.656 20 0 HCADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cccnc1 ZINC000495266809 1077787724 /nfs/dbraw/zinc/78/77/24/1077787724.db2.gz IETWHTFBAWJWMP-OAHLLOKOSA-N 1 2 404.496 0.656 20 0 HCADLO O=S(=O)(C[C@@H]1CCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495268004 1077788633 /nfs/dbraw/zinc/78/86/33/1077788633.db2.gz QDBBDCZNALDPDP-CVEARBPZSA-N 1 2 411.528 0.380 20 0 HCADLO O=S(=O)(C[C@@H]1CCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495268004 1077788628 /nfs/dbraw/zinc/78/86/28/1077788628.db2.gz QDBBDCZNALDPDP-CVEARBPZSA-N 1 2 411.528 0.380 20 0 HCADLO O=S(=O)(C[C@@H]1CCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495268005 1077788220 /nfs/dbraw/zinc/78/82/20/1077788220.db2.gz QDBBDCZNALDPDP-HOTGVXAUSA-N 1 2 411.528 0.380 20 0 HCADLO O=S(=O)(C[C@@H]1CCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495268005 1077788210 /nfs/dbraw/zinc/78/82/10/1077788210.db2.gz QDBBDCZNALDPDP-HOTGVXAUSA-N 1 2 411.528 0.380 20 0 HCADLO O=S(=O)(C[C@H]1CCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495268006 1077788396 /nfs/dbraw/zinc/78/83/96/1077788396.db2.gz QDBBDCZNALDPDP-HZPDHXFCSA-N 1 2 411.528 0.380 20 0 HCADLO O=S(=O)(C[C@H]1CCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495268006 1077788392 /nfs/dbraw/zinc/78/83/92/1077788392.db2.gz QDBBDCZNALDPDP-HZPDHXFCSA-N 1 2 411.528 0.380 20 0 HCADLO O=S(=O)(C[C@H]1CCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495268007 1077788654 /nfs/dbraw/zinc/78/86/54/1077788654.db2.gz QDBBDCZNALDPDP-JKSUJKDBSA-N 1 2 411.528 0.380 20 0 HCADLO O=S(=O)(C[C@H]1CCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495268007 1077788648 /nfs/dbraw/zinc/78/86/48/1077788648.db2.gz QDBBDCZNALDPDP-JKSUJKDBSA-N 1 2 411.528 0.380 20 0 HCADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cncc(F)c1 ZINC000495268008 1077788372 /nfs/dbraw/zinc/78/83/72/1077788372.db2.gz QDFNYMMTFPJWLX-HNNXBMFYSA-N 1 2 422.486 0.795 20 0 HCADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cncc(F)c1 ZINC000495268008 1077788366 /nfs/dbraw/zinc/78/83/66/1077788366.db2.gz QDFNYMMTFPJWLX-HNNXBMFYSA-N 1 2 422.486 0.795 20 0 HCADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cncc(F)c1 ZINC000495268009 1077788523 /nfs/dbraw/zinc/78/85/23/1077788523.db2.gz QDFNYMMTFPJWLX-OAHLLOKOSA-N 1 2 422.486 0.795 20 0 HCADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cncc(F)c1 ZINC000495268009 1077788512 /nfs/dbraw/zinc/78/85/12/1077788512.db2.gz QDFNYMMTFPJWLX-OAHLLOKOSA-N 1 2 422.486 0.795 20 0 HCADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCCCCC1 ZINC000495268268 1077788267 /nfs/dbraw/zinc/78/82/67/1077788267.db2.gz UNJZEVCHAQYYBS-KRWDZBQOSA-N 1 2 424.571 0.992 20 0 HCADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCCCCC1 ZINC000495268268 1077788260 /nfs/dbraw/zinc/78/82/60/1077788260.db2.gz UNJZEVCHAQYYBS-KRWDZBQOSA-N 1 2 424.571 0.992 20 0 HCADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCCCCC1 ZINC000495268269 1077788587 /nfs/dbraw/zinc/78/85/87/1077788587.db2.gz UNJZEVCHAQYYBS-QGZVFWFLSA-N 1 2 424.571 0.992 20 0 HCADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCCCCC1 ZINC000495268269 1077788578 /nfs/dbraw/zinc/78/85/78/1077788578.db2.gz UNJZEVCHAQYYBS-QGZVFWFLSA-N 1 2 424.571 0.992 20 0 HCADLO NC(=O)c1csc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000495268363 1077788616 /nfs/dbraw/zinc/78/86/16/1077788616.db2.gz VWHHWUKNOYHFBO-AWEZNQCLSA-N 1 2 416.507 0.872 20 0 HCADLO NC(=O)c1csc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000495268363 1077788606 /nfs/dbraw/zinc/78/86/06/1077788606.db2.gz VWHHWUKNOYHFBO-AWEZNQCLSA-N 1 2 416.507 0.872 20 0 HCADLO NC(=O)c1csc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000495268364 1077788559 /nfs/dbraw/zinc/78/85/59/1077788559.db2.gz VWHHWUKNOYHFBO-CQSZACIVSA-N 1 2 416.507 0.872 20 0 HCADLO NC(=O)c1csc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000495268364 1077788552 /nfs/dbraw/zinc/78/85/52/1077788552.db2.gz VWHHWUKNOYHFBO-CQSZACIVSA-N 1 2 416.507 0.872 20 0 HCADLO CC1CCN(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495271100 1077791444 /nfs/dbraw/zinc/79/14/44/1077791444.db2.gz CSXBDQRVKNWYLI-KRWDZBQOSA-N 1 2 424.571 0.848 20 0 HCADLO CC1CCN(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495271100 1077791435 /nfs/dbraw/zinc/79/14/35/1077791435.db2.gz CSXBDQRVKNWYLI-KRWDZBQOSA-N 1 2 424.571 0.848 20 0 HCADLO CC1CCN(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495271101 1077791603 /nfs/dbraw/zinc/79/16/03/1077791603.db2.gz CSXBDQRVKNWYLI-QGZVFWFLSA-N 1 2 424.571 0.848 20 0 HCADLO CC1CCN(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495271101 1077791587 /nfs/dbraw/zinc/79/15/87/1077791587.db2.gz CSXBDQRVKNWYLI-QGZVFWFLSA-N 1 2 424.571 0.848 20 0 HCADLO C[C@H]1CCCCN1S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271314 1077792255 /nfs/dbraw/zinc/79/22/55/1077792255.db2.gz DHTIQYLZELTZBO-DLBZAZTESA-N 1 2 424.571 0.991 20 0 HCADLO C[C@H]1CCCCN1S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271314 1077792244 /nfs/dbraw/zinc/79/22/44/1077792244.db2.gz DHTIQYLZELTZBO-DLBZAZTESA-N 1 2 424.571 0.991 20 0 HCADLO C[C@@H]1CCCCN1S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271316 1077791887 /nfs/dbraw/zinc/79/18/87/1077791887.db2.gz DHTIQYLZELTZBO-IAGOWNOFSA-N 1 2 424.571 0.991 20 0 HCADLO C[C@@H]1CCCCN1S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271316 1077791878 /nfs/dbraw/zinc/79/18/78/1077791878.db2.gz DHTIQYLZELTZBO-IAGOWNOFSA-N 1 2 424.571 0.991 20 0 HCADLO C[C@H]1CCCCN1S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271318 1077792072 /nfs/dbraw/zinc/79/20/72/1077792072.db2.gz DHTIQYLZELTZBO-IRXDYDNUSA-N 1 2 424.571 0.991 20 0 HCADLO C[C@H]1CCCCN1S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271318 1077792064 /nfs/dbraw/zinc/79/20/64/1077792064.db2.gz DHTIQYLZELTZBO-IRXDYDNUSA-N 1 2 424.571 0.991 20 0 HCADLO C[C@@H]1CCCCN1S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271320 1077792030 /nfs/dbraw/zinc/79/20/30/1077792030.db2.gz DHTIQYLZELTZBO-SJORKVTESA-N 1 2 424.571 0.991 20 0 HCADLO C[C@@H]1CCCCN1S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271320 1077792013 /nfs/dbraw/zinc/79/20/13/1077792013.db2.gz DHTIQYLZELTZBO-SJORKVTESA-N 1 2 424.571 0.991 20 0 HCADLO O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271615 1077790985 /nfs/dbraw/zinc/79/09/85/1077790985.db2.gz HBWAOYCMLKEMKY-CVEARBPZSA-N 1 2 411.528 0.238 20 0 HCADLO O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271615 1077790972 /nfs/dbraw/zinc/79/09/72/1077790972.db2.gz HBWAOYCMLKEMKY-CVEARBPZSA-N 1 2 411.528 0.238 20 0 HCADLO O=S(=O)(C[C@H]1CCOC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271616 1077791067 /nfs/dbraw/zinc/79/10/67/1077791067.db2.gz HBWAOYCMLKEMKY-HOTGVXAUSA-N 1 2 411.528 0.238 20 0 HCADLO O=S(=O)(C[C@H]1CCOC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271616 1077791056 /nfs/dbraw/zinc/79/10/56/1077791056.db2.gz HBWAOYCMLKEMKY-HOTGVXAUSA-N 1 2 411.528 0.238 20 0 HCADLO O=S(=O)(C[C@@H]1CCOC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271617 1077790806 /nfs/dbraw/zinc/79/08/06/1077790806.db2.gz HBWAOYCMLKEMKY-HZPDHXFCSA-N 1 2 411.528 0.238 20 0 HCADLO O=S(=O)(C[C@@H]1CCOC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271617 1077790796 /nfs/dbraw/zinc/79/07/96/1077790796.db2.gz HBWAOYCMLKEMKY-HZPDHXFCSA-N 1 2 411.528 0.238 20 0 HCADLO O=S(=O)(C[C@H]1CCOC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495271618 1077790920 /nfs/dbraw/zinc/79/09/20/1077790920.db2.gz HBWAOYCMLKEMKY-JKSUJKDBSA-N 1 2 411.528 0.238 20 0 HCADLO O=S(=O)(C[C@H]1CCOC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495271618 1077790893 /nfs/dbraw/zinc/79/08/93/1077790893.db2.gz HBWAOYCMLKEMKY-JKSUJKDBSA-N 1 2 411.528 0.238 20 0 HCADLO Cc1nc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1C ZINC000495272074 1077793073 /nfs/dbraw/zinc/79/30/73/1077793073.db2.gz JHOQOPVSVRGEGO-HNNXBMFYSA-N 1 2 421.527 0.302 20 0 HCADLO Cc1nc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1C ZINC000495272074 1077793069 /nfs/dbraw/zinc/79/30/69/1077793069.db2.gz JHOQOPVSVRGEGO-HNNXBMFYSA-N 1 2 421.527 0.302 20 0 HCADLO Cc1nc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1C ZINC000495272075 1077793283 /nfs/dbraw/zinc/79/32/83/1077793283.db2.gz JHOQOPVSVRGEGO-OAHLLOKOSA-N 1 2 421.527 0.302 20 0 HCADLO Cc1nc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1C ZINC000495272075 1077793272 /nfs/dbraw/zinc/79/32/72/1077793272.db2.gz JHOQOPVSVRGEGO-OAHLLOKOSA-N 1 2 421.527 0.302 20 0 HCADLO CCCNC(=O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495272874 1077789252 /nfs/dbraw/zinc/78/92/52/1077789252.db2.gz QPAVUIBWEGYIOU-HNNXBMFYSA-N 1 2 405.503 0.107 20 0 HCADLO CCCNC(=O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495272874 1077789245 /nfs/dbraw/zinc/78/92/45/1077789245.db2.gz QPAVUIBWEGYIOU-HNNXBMFYSA-N 1 2 405.503 0.107 20 0 HCADLO CCCNC(=O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495272875 1077790080 /nfs/dbraw/zinc/79/00/80/1077790080.db2.gz QPAVUIBWEGYIOU-OAHLLOKOSA-N 1 2 405.503 0.107 20 0 HCADLO CCCNC(=O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495272875 1077790068 /nfs/dbraw/zinc/79/00/68/1077790068.db2.gz QPAVUIBWEGYIOU-OAHLLOKOSA-N 1 2 405.503 0.107 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@H]1CCCCNC1=O ZINC000495272910 1077789929 /nfs/dbraw/zinc/78/99/29/1077789929.db2.gz RGWOKWNYCZZCPT-CVEARBPZSA-N 1 2 417.514 0.250 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@H]1CCCCNC1=O ZINC000495272910 1077789922 /nfs/dbraw/zinc/78/99/22/1077789922.db2.gz RGWOKWNYCZZCPT-CVEARBPZSA-N 1 2 417.514 0.250 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@H]1CCCCNC1=O ZINC000495272911 1077790045 /nfs/dbraw/zinc/79/00/45/1077790045.db2.gz RGWOKWNYCZZCPT-HOTGVXAUSA-N 1 2 417.514 0.250 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@H]1CCCCNC1=O ZINC000495272911 1077790039 /nfs/dbraw/zinc/79/00/39/1077790039.db2.gz RGWOKWNYCZZCPT-HOTGVXAUSA-N 1 2 417.514 0.250 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@@H]1CCCCNC1=O ZINC000495272912 1077790175 /nfs/dbraw/zinc/79/01/75/1077790175.db2.gz RGWOKWNYCZZCPT-HZPDHXFCSA-N 1 2 417.514 0.250 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@@H]1CCCCNC1=O ZINC000495272912 1077790163 /nfs/dbraw/zinc/79/01/63/1077790163.db2.gz RGWOKWNYCZZCPT-HZPDHXFCSA-N 1 2 417.514 0.250 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N[C@@H]1CCCCNC1=O ZINC000495272913 1077790012 /nfs/dbraw/zinc/79/00/12/1077790012.db2.gz RGWOKWNYCZZCPT-JKSUJKDBSA-N 1 2 417.514 0.250 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N[C@@H]1CCCCNC1=O ZINC000495272913 1077790006 /nfs/dbraw/zinc/79/00/06/1077790006.db2.gz RGWOKWNYCZZCPT-JKSUJKDBSA-N 1 2 417.514 0.250 20 0 HCADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495272966 1077789388 /nfs/dbraw/zinc/78/93/88/1077789388.db2.gz SBARZSGXJQSARJ-DLBZAZTESA-N 1 2 402.499 0.409 20 0 HCADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495272966 1077789375 /nfs/dbraw/zinc/78/93/75/1077789375.db2.gz SBARZSGXJQSARJ-DLBZAZTESA-N 1 2 402.499 0.409 20 0 HCADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495272967 1077789291 /nfs/dbraw/zinc/78/92/91/1077789291.db2.gz SBARZSGXJQSARJ-IAGOWNOFSA-N 1 2 402.499 0.409 20 0 HCADLO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495272967 1077789287 /nfs/dbraw/zinc/78/92/87/1077789287.db2.gz SBARZSGXJQSARJ-IAGOWNOFSA-N 1 2 402.499 0.409 20 0 HCADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCCCC1 ZINC000495273278 1077789024 /nfs/dbraw/zinc/78/90/24/1077789024.db2.gz WRUAXRKBBYLNIC-INIZCTEOSA-N 1 2 410.544 0.602 20 0 HCADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCCCC1 ZINC000495273278 1077789015 /nfs/dbraw/zinc/78/90/15/1077789015.db2.gz WRUAXRKBBYLNIC-INIZCTEOSA-N 1 2 410.544 0.602 20 0 HCADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCCCC1 ZINC000495273279 1077789279 /nfs/dbraw/zinc/78/92/79/1077789279.db2.gz WRUAXRKBBYLNIC-MRXNPFEDSA-N 1 2 410.544 0.602 20 0 HCADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCCCC1 ZINC000495273279 1077789272 /nfs/dbraw/zinc/78/92/72/1077789272.db2.gz WRUAXRKBBYLNIC-MRXNPFEDSA-N 1 2 410.544 0.602 20 0 HCADLO C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000495273305 1077789504 /nfs/dbraw/zinc/78/95/04/1077789504.db2.gz WWOAZJYIYIDERL-DLBZAZTESA-N 1 2 424.571 0.848 20 0 HCADLO C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000495273305 1077789486 /nfs/dbraw/zinc/78/94/86/1077789486.db2.gz WWOAZJYIYIDERL-DLBZAZTESA-N 1 2 424.571 0.848 20 0 HCADLO C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000495273306 1077789591 /nfs/dbraw/zinc/78/95/91/1077789591.db2.gz WWOAZJYIYIDERL-IAGOWNOFSA-N 1 2 424.571 0.848 20 0 HCADLO C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000495273306 1077789579 /nfs/dbraw/zinc/78/95/79/1077789579.db2.gz WWOAZJYIYIDERL-IAGOWNOFSA-N 1 2 424.571 0.848 20 0 HCADLO C[C@H]1CCCN(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000495273307 1077789320 /nfs/dbraw/zinc/78/93/20/1077789320.db2.gz WWOAZJYIYIDERL-IRXDYDNUSA-N 1 2 424.571 0.848 20 0 HCADLO C[C@H]1CCCN(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000495273307 1077789313 /nfs/dbraw/zinc/78/93/13/1077789313.db2.gz WWOAZJYIYIDERL-IRXDYDNUSA-N 1 2 424.571 0.848 20 0 HCADLO C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000495273308 1077789447 /nfs/dbraw/zinc/78/94/47/1077789447.db2.gz WWOAZJYIYIDERL-SJORKVTESA-N 1 2 424.571 0.848 20 0 HCADLO C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000495273308 1077789426 /nfs/dbraw/zinc/78/94/26/1077789426.db2.gz WWOAZJYIYIDERL-SJORKVTESA-N 1 2 424.571 0.848 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495273426 1077793318 /nfs/dbraw/zinc/79/33/18/1077793318.db2.gz YNAXQSPUIOCKFB-HNNXBMFYSA-N 1 2 422.511 0.865 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495273426 1077793309 /nfs/dbraw/zinc/79/33/09/1077793309.db2.gz YNAXQSPUIOCKFB-HNNXBMFYSA-N 1 2 422.511 0.865 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495273427 1077793024 /nfs/dbraw/zinc/79/30/24/1077793024.db2.gz YNAXQSPUIOCKFB-OAHLLOKOSA-N 1 2 422.511 0.865 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495273427 1077793012 /nfs/dbraw/zinc/79/30/12/1077793012.db2.gz YNAXQSPUIOCKFB-OAHLLOKOSA-N 1 2 422.511 0.865 20 0 HCADLO CC(C)(C)NC(=O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495273443 1077792988 /nfs/dbraw/zinc/79/29/88/1077792988.db2.gz YRRSBBZEYPQSAJ-HNNXBMFYSA-N 1 2 419.530 0.496 20 0 HCADLO CC(C)(C)NC(=O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495273443 1077792981 /nfs/dbraw/zinc/79/29/81/1077792981.db2.gz YRRSBBZEYPQSAJ-HNNXBMFYSA-N 1 2 419.530 0.496 20 0 HCADLO CC(C)(C)NC(=O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495273444 1077793146 /nfs/dbraw/zinc/79/31/46/1077793146.db2.gz YRRSBBZEYPQSAJ-OAHLLOKOSA-N 1 2 419.530 0.496 20 0 HCADLO CC(C)(C)NC(=O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495273444 1077793137 /nfs/dbraw/zinc/79/31/37/1077793137.db2.gz YRRSBBZEYPQSAJ-OAHLLOKOSA-N 1 2 419.530 0.496 20 0 HCADLO CC(C)NC(=O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495275958 1077793755 /nfs/dbraw/zinc/79/37/55/1077793755.db2.gz FEVJYFQRHMIZIE-HNNXBMFYSA-N 1 2 405.503 0.106 20 0 HCADLO CC(C)NC(=O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495275958 1077793750 /nfs/dbraw/zinc/79/37/50/1077793750.db2.gz FEVJYFQRHMIZIE-HNNXBMFYSA-N 1 2 405.503 0.106 20 0 HCADLO CC(C)NC(=O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495275959 1077794053 /nfs/dbraw/zinc/79/40/53/1077794053.db2.gz FEVJYFQRHMIZIE-OAHLLOKOSA-N 1 2 405.503 0.106 20 0 HCADLO CC(C)NC(=O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495275959 1077794046 /nfs/dbraw/zinc/79/40/46/1077794046.db2.gz FEVJYFQRHMIZIE-OAHLLOKOSA-N 1 2 405.503 0.106 20 0 HCADLO CCNC(=O)CCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495277042 1077794572 /nfs/dbraw/zinc/79/45/72/1077794572.db2.gz IZRLPISSNFJSDD-INIZCTEOSA-N 1 2 404.515 0.705 20 0 HCADLO CCNC(=O)CCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495277042 1077794563 /nfs/dbraw/zinc/79/45/63/1077794563.db2.gz IZRLPISSNFJSDD-INIZCTEOSA-N 1 2 404.515 0.705 20 0 HCADLO CCNC(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495277043 1077794667 /nfs/dbraw/zinc/79/46/67/1077794667.db2.gz IZRLPISSNFJSDD-MRXNPFEDSA-N 1 2 404.515 0.705 20 0 HCADLO CCNC(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495277043 1077794661 /nfs/dbraw/zinc/79/46/61/1077794661.db2.gz IZRLPISSNFJSDD-MRXNPFEDSA-N 1 2 404.515 0.705 20 0 HCADLO CCn1cnnc1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495277380 1077794440 /nfs/dbraw/zinc/79/44/40/1077794440.db2.gz KMRXSWDOJQWLAE-HNNXBMFYSA-N 1 2 415.502 0.393 20 0 HCADLO CCn1cnnc1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495277380 1077794426 /nfs/dbraw/zinc/79/44/26/1077794426.db2.gz KMRXSWDOJQWLAE-HNNXBMFYSA-N 1 2 415.502 0.393 20 0 HCADLO CCn1cnnc1CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495277381 1077794626 /nfs/dbraw/zinc/79/46/26/1077794626.db2.gz KMRXSWDOJQWLAE-OAHLLOKOSA-N 1 2 415.502 0.393 20 0 HCADLO CCn1cnnc1CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495277381 1077794615 /nfs/dbraw/zinc/79/46/15/1077794615.db2.gz KMRXSWDOJQWLAE-OAHLLOKOSA-N 1 2 415.502 0.393 20 0 HCADLO Cn1cc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495277699 1077794683 /nfs/dbraw/zinc/79/46/83/1077794683.db2.gz LMGDDAHRNMDHPK-INIZCTEOSA-N 1 2 400.487 0.515 20 0 HCADLO Cn1cc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495277699 1077794675 /nfs/dbraw/zinc/79/46/75/1077794675.db2.gz LMGDDAHRNMDHPK-INIZCTEOSA-N 1 2 400.487 0.515 20 0 HCADLO Cn1cc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495277701 1077794506 /nfs/dbraw/zinc/79/45/06/1077794506.db2.gz LMGDDAHRNMDHPK-MRXNPFEDSA-N 1 2 400.487 0.515 20 0 HCADLO Cn1cc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495277701 1077794499 /nfs/dbraw/zinc/79/44/99/1077794499.db2.gz LMGDDAHRNMDHPK-MRXNPFEDSA-N 1 2 400.487 0.515 20 0 HCADLO CCCNC(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495278111 1077795422 /nfs/dbraw/zinc/79/54/22/1077795422.db2.gz NEEIDWJXBJRBAL-INIZCTEOSA-N 1 2 419.530 0.498 20 0 HCADLO CCCNC(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495278111 1077795412 /nfs/dbraw/zinc/79/54/12/1077795412.db2.gz NEEIDWJXBJRBAL-INIZCTEOSA-N 1 2 419.530 0.498 20 0 HCADLO CCCNC(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495278112 1077795213 /nfs/dbraw/zinc/79/52/13/1077795213.db2.gz NEEIDWJXBJRBAL-MRXNPFEDSA-N 1 2 419.530 0.498 20 0 HCADLO CCCNC(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495278112 1077795197 /nfs/dbraw/zinc/79/51/97/1077795197.db2.gz NEEIDWJXBJRBAL-MRXNPFEDSA-N 1 2 419.530 0.498 20 0 HCADLO C[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1nncn1C ZINC000495281927 1077796267 /nfs/dbraw/zinc/79/62/67/1077796267.db2.gz CEHFVJBOCGUYJC-CABCVRRESA-N 1 2 415.502 0.471 20 0 HCADLO C[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1nncn1C ZINC000495281927 1077796259 /nfs/dbraw/zinc/79/62/59/1077796259.db2.gz CEHFVJBOCGUYJC-CABCVRRESA-N 1 2 415.502 0.471 20 0 HCADLO C[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1nncn1C ZINC000495282028 1077796394 /nfs/dbraw/zinc/79/63/94/1077796394.db2.gz CEHFVJBOCGUYJC-GJZGRUSLSA-N 1 2 415.502 0.471 20 0 HCADLO C[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1nncn1C ZINC000495282028 1077796384 /nfs/dbraw/zinc/79/63/84/1077796384.db2.gz CEHFVJBOCGUYJC-GJZGRUSLSA-N 1 2 415.502 0.471 20 0 HCADLO C[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1nncn1C ZINC000495282029 1077796301 /nfs/dbraw/zinc/79/63/01/1077796301.db2.gz CEHFVJBOCGUYJC-HUUCEWRRSA-N 1 2 415.502 0.471 20 0 HCADLO C[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1nncn1C ZINC000495282029 1077796293 /nfs/dbraw/zinc/79/62/93/1077796293.db2.gz CEHFVJBOCGUYJC-HUUCEWRRSA-N 1 2 415.502 0.471 20 0 HCADLO C[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1nncn1C ZINC000495282030 1077796239 /nfs/dbraw/zinc/79/62/39/1077796239.db2.gz CEHFVJBOCGUYJC-LSDHHAIUSA-N 1 2 415.502 0.471 20 0 HCADLO C[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1nncn1C ZINC000495282030 1077796236 /nfs/dbraw/zinc/79/62/36/1077796236.db2.gz CEHFVJBOCGUYJC-LSDHHAIUSA-N 1 2 415.502 0.471 20 0 HCADLO CCOC(=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495282900 1077797117 /nfs/dbraw/zinc/79/71/17/1077797117.db2.gz HMIHJGPRHSBUDQ-INIZCTEOSA-N 1 2 420.514 0.925 20 0 HCADLO CCOC(=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495282900 1077797112 /nfs/dbraw/zinc/79/71/12/1077797112.db2.gz HMIHJGPRHSBUDQ-INIZCTEOSA-N 1 2 420.514 0.925 20 0 HCADLO CCOC(=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495282901 1077797004 /nfs/dbraw/zinc/79/70/04/1077797004.db2.gz HMIHJGPRHSBUDQ-MRXNPFEDSA-N 1 2 420.514 0.925 20 0 HCADLO CCOC(=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495282901 1077796993 /nfs/dbraw/zinc/79/69/93/1077796993.db2.gz HMIHJGPRHSBUDQ-MRXNPFEDSA-N 1 2 420.514 0.925 20 0 HCADLO Cc1noc(CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495283348 1077796498 /nfs/dbraw/zinc/79/64/98/1077796498.db2.gz KGIBOUQUTDXKNO-HNNXBMFYSA-N 1 2 416.486 0.515 20 0 HCADLO Cc1noc(CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495283348 1077796486 /nfs/dbraw/zinc/79/64/86/1077796486.db2.gz KGIBOUQUTDXKNO-HNNXBMFYSA-N 1 2 416.486 0.515 20 0 HCADLO Cc1noc(CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495283349 1077796094 /nfs/dbraw/zinc/79/60/94/1077796094.db2.gz KGIBOUQUTDXKNO-OAHLLOKOSA-N 1 2 416.486 0.515 20 0 HCADLO Cc1noc(CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495283349 1077796077 /nfs/dbraw/zinc/79/60/77/1077796077.db2.gz KGIBOUQUTDXKNO-OAHLLOKOSA-N 1 2 416.486 0.515 20 0 HCADLO NC(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000495283550 1077796432 /nfs/dbraw/zinc/79/64/32/1077796432.db2.gz MBMPBOQRLROCIK-KRWDZBQOSA-N 1 2 410.478 0.811 20 0 HCADLO NC(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000495283550 1077796421 /nfs/dbraw/zinc/79/64/21/1077796421.db2.gz MBMPBOQRLROCIK-KRWDZBQOSA-N 1 2 410.478 0.811 20 0 HCADLO NC(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000495283551 1077796209 /nfs/dbraw/zinc/79/62/09/1077796209.db2.gz MBMPBOQRLROCIK-QGZVFWFLSA-N 1 2 410.478 0.811 20 0 HCADLO NC(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000495283551 1077796202 /nfs/dbraw/zinc/79/62/02/1077796202.db2.gz MBMPBOQRLROCIK-QGZVFWFLSA-N 1 2 410.478 0.811 20 0 HCADLO Cn1cc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ccc1=O ZINC000495289196 1077801170 /nfs/dbraw/zinc/80/11/70/1077801170.db2.gz SINKHZOWESLIJG-HNNXBMFYSA-N 1 2 413.482 0.802 20 0 HCADLO Cn1cc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ccc1=O ZINC000495289196 1077801168 /nfs/dbraw/zinc/80/11/68/1077801168.db2.gz SINKHZOWESLIJG-HNNXBMFYSA-N 1 2 413.482 0.802 20 0 HCADLO Cn1cc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ccc1=O ZINC000495289197 1077801112 /nfs/dbraw/zinc/80/11/12/1077801112.db2.gz SINKHZOWESLIJG-OAHLLOKOSA-N 1 2 413.482 0.802 20 0 HCADLO Cn1cc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ccc1=O ZINC000495289197 1077801109 /nfs/dbraw/zinc/80/11/09/1077801109.db2.gz SINKHZOWESLIJG-OAHLLOKOSA-N 1 2 413.482 0.802 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000495289653 1077800980 /nfs/dbraw/zinc/80/09/80/1077800980.db2.gz XYNSRJLNWHPBBZ-KRWDZBQOSA-N 1 2 410.478 0.811 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC000495289653 1077800977 /nfs/dbraw/zinc/80/09/77/1077800977.db2.gz XYNSRJLNWHPBBZ-KRWDZBQOSA-N 1 2 410.478 0.811 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000495289654 1077800987 /nfs/dbraw/zinc/80/09/87/1077800987.db2.gz XYNSRJLNWHPBBZ-QGZVFWFLSA-N 1 2 410.478 0.811 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC000495289654 1077800986 /nfs/dbraw/zinc/80/09/86/1077800986.db2.gz XYNSRJLNWHPBBZ-QGZVFWFLSA-N 1 2 410.478 0.811 20 0 HCADLO COCCOCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495289662 1077800952 /nfs/dbraw/zinc/80/09/52/1077800952.db2.gz YBOAYSVOZCZJFD-INIZCTEOSA-N 1 2 408.503 0.244 20 0 HCADLO COCCOCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495289662 1077800950 /nfs/dbraw/zinc/80/09/50/1077800950.db2.gz YBOAYSVOZCZJFD-INIZCTEOSA-N 1 2 408.503 0.244 20 0 HCADLO COCCOCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495289663 1077800919 /nfs/dbraw/zinc/80/09/19/1077800919.db2.gz YBOAYSVOZCZJFD-MRXNPFEDSA-N 1 2 408.503 0.244 20 0 HCADLO COCCOCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495289663 1077800918 /nfs/dbraw/zinc/80/09/18/1077800918.db2.gz YBOAYSVOZCZJFD-MRXNPFEDSA-N 1 2 408.503 0.244 20 0 HCADLO Cc1nccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495289687 1077800912 /nfs/dbraw/zinc/80/09/12/1077800912.db2.gz YIFCZERUOSFMKM-KRWDZBQOSA-N 1 2 412.498 0.880 20 0 HCADLO Cc1nccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495289687 1077800908 /nfs/dbraw/zinc/80/09/08/1077800908.db2.gz YIFCZERUOSFMKM-KRWDZBQOSA-N 1 2 412.498 0.880 20 0 HCADLO Cc1nccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495289688 1077800993 /nfs/dbraw/zinc/80/09/93/1077800993.db2.gz YIFCZERUOSFMKM-QGZVFWFLSA-N 1 2 412.498 0.880 20 0 HCADLO Cc1nccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495289688 1077800992 /nfs/dbraw/zinc/80/09/92/1077800992.db2.gz YIFCZERUOSFMKM-QGZVFWFLSA-N 1 2 412.498 0.880 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495295774 1077801533 /nfs/dbraw/zinc/80/15/33/1077801533.db2.gz XNBMXHNZMSCTPY-HNNXBMFYSA-N 1 2 411.466 0.206 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495295774 1077801532 /nfs/dbraw/zinc/80/15/32/1077801532.db2.gz XNBMXHNZMSCTPY-HNNXBMFYSA-N 1 2 411.466 0.206 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495295775 1077801597 /nfs/dbraw/zinc/80/15/97/1077801597.db2.gz XNBMXHNZMSCTPY-OAHLLOKOSA-N 1 2 411.466 0.206 20 0 HCADLO NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495295775 1077801593 /nfs/dbraw/zinc/80/15/93/1077801593.db2.gz XNBMXHNZMSCTPY-OAHLLOKOSA-N 1 2 411.466 0.206 20 0 HCADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cn2c1 ZINC000495299451 1077802528 /nfs/dbraw/zinc/80/25/28/1077802528.db2.gz OZJIEDLOLFYRRS-UHFFFAOYSA-N 1 2 415.519 0.825 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000495319879 1077807978 /nfs/dbraw/zinc/80/79/78/1077807978.db2.gz UVLNXCQNBPBDBI-UHFFFAOYSA-N 1 2 424.567 0.953 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000495319879 1077807975 /nfs/dbraw/zinc/80/79/75/1077807975.db2.gz UVLNXCQNBPBDBI-UHFFFAOYSA-N 1 2 424.567 0.953 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000495324301 1077809377 /nfs/dbraw/zinc/80/93/77/1077809377.db2.gz QBGSVLKLSCHEOV-UHFFFAOYSA-N 1 2 410.540 0.611 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000495324301 1077809376 /nfs/dbraw/zinc/80/93/76/1077809376.db2.gz QBGSVLKLSCHEOV-UHFFFAOYSA-N 1 2 410.540 0.611 20 0 HCADLO Cn1c(=O)c2ccc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)nc2n(C)c1=O ZINC000495327944 1077810345 /nfs/dbraw/zinc/81/03/45/1077810345.db2.gz JXSYJAZWEFDWQJ-UHFFFAOYSA-N 1 2 423.473 0.394 20 0 HCADLO Cn1c(=O)c2ccc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000495331407 1077809110 /nfs/dbraw/zinc/80/91/10/1077809110.db2.gz HUMKFRANTZHZTH-INIZCTEOSA-N 1 2 423.473 0.263 20 0 HCADLO Cn1c(=O)c2ccc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000495331407 1077809108 /nfs/dbraw/zinc/80/91/08/1077809108.db2.gz HUMKFRANTZHZTH-INIZCTEOSA-N 1 2 423.473 0.263 20 0 HCADLO Cn1c(=O)c2ccc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000495331408 1077809167 /nfs/dbraw/zinc/80/91/67/1077809167.db2.gz HUMKFRANTZHZTH-MRXNPFEDSA-N 1 2 423.473 0.263 20 0 HCADLO Cn1c(=O)c2ccc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)nc2n(C)c1=O ZINC000495331408 1077809164 /nfs/dbraw/zinc/80/91/64/1077809164.db2.gz HUMKFRANTZHZTH-MRXNPFEDSA-N 1 2 423.473 0.263 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ncoc1-c1ccccc1 ZINC000495334618 1077810740 /nfs/dbraw/zinc/81/07/40/1077810740.db2.gz CDABUKICSQOIFN-INIZCTEOSA-N 1 2 402.451 0.109 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ncoc1-c1ccccc1 ZINC000495334619 1077810682 /nfs/dbraw/zinc/81/06/82/1077810682.db2.gz CDABUKICSQOIFN-MRXNPFEDSA-N 1 2 402.451 0.109 20 0 HCADLO CCN1CCN(CC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C(=O)C1=O ZINC000495350620 1077813410 /nfs/dbraw/zinc/81/34/10/1077813410.db2.gz KTRSDPKGGKMFTQ-UHFFFAOYSA-N 1 2 422.913 0.554 20 0 HCADLO O=C(NCC1(O)CCCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495378693 1077823683 /nfs/dbraw/zinc/82/36/83/1077823683.db2.gz DUIUZWSXJARBCM-INIZCTEOSA-N 1 2 404.515 0.886 20 0 HCADLO O=C(NCC1(O)CCCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495378693 1077823680 /nfs/dbraw/zinc/82/36/80/1077823680.db2.gz DUIUZWSXJARBCM-INIZCTEOSA-N 1 2 404.515 0.886 20 0 HCADLO O=C(NCC1(O)CCCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495378694 1077823691 /nfs/dbraw/zinc/82/36/91/1077823691.db2.gz DUIUZWSXJARBCM-MRXNPFEDSA-N 1 2 404.515 0.886 20 0 HCADLO O=C(NCC1(O)CCCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495378694 1077823689 /nfs/dbraw/zinc/82/36/89/1077823689.db2.gz DUIUZWSXJARBCM-MRXNPFEDSA-N 1 2 404.515 0.886 20 0 HCADLO O=C(NCC1(O)CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495380373 1077824342 /nfs/dbraw/zinc/82/43/42/1077824342.db2.gz PUHRAEYJGDDTCC-INIZCTEOSA-N 1 2 420.514 0.123 20 0 HCADLO O=C(NCC1(O)CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495380373 1077824340 /nfs/dbraw/zinc/82/43/40/1077824340.db2.gz PUHRAEYJGDDTCC-INIZCTEOSA-N 1 2 420.514 0.123 20 0 HCADLO O=C(NCC1(O)CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495380374 1077824373 /nfs/dbraw/zinc/82/43/73/1077824373.db2.gz PUHRAEYJGDDTCC-MRXNPFEDSA-N 1 2 420.514 0.123 20 0 HCADLO O=C(NCC1(O)CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495380374 1077824371 /nfs/dbraw/zinc/82/43/71/1077824371.db2.gz PUHRAEYJGDDTCC-MRXNPFEDSA-N 1 2 420.514 0.123 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC(CO)CC1 ZINC000495380760 1077824177 /nfs/dbraw/zinc/82/41/77/1077824177.db2.gz RSOFEANUQFOLHF-KRWDZBQOSA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC(CO)CC1 ZINC000495380760 1077824175 /nfs/dbraw/zinc/82/41/75/1077824175.db2.gz RSOFEANUQFOLHF-KRWDZBQOSA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC(CO)CC1 ZINC000495380761 1077824099 /nfs/dbraw/zinc/82/40/99/1077824099.db2.gz RSOFEANUQFOLHF-QGZVFWFLSA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC(CO)CC1 ZINC000495380761 1077824097 /nfs/dbraw/zinc/82/40/97/1077824097.db2.gz RSOFEANUQFOLHF-QGZVFWFLSA-N 1 2 404.515 0.696 20 0 HCADLO CN(C)C(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495384136 1077824594 /nfs/dbraw/zinc/82/45/94/1077824594.db2.gz CBTHVOVZRRTKBD-HNNXBMFYSA-N 1 2 405.503 0.060 20 0 HCADLO CN(C)C(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495384136 1077824593 /nfs/dbraw/zinc/82/45/93/1077824593.db2.gz CBTHVOVZRRTKBD-HNNXBMFYSA-N 1 2 405.503 0.060 20 0 HCADLO CN(C)C(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495384137 1077824571 /nfs/dbraw/zinc/82/45/71/1077824571.db2.gz CBTHVOVZRRTKBD-OAHLLOKOSA-N 1 2 405.503 0.060 20 0 HCADLO CN(C)C(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495384137 1077824569 /nfs/dbraw/zinc/82/45/69/1077824569.db2.gz CBTHVOVZRRTKBD-OAHLLOKOSA-N 1 2 405.503 0.060 20 0 HCADLO O=C(Nc1cccnc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495384814 1077823974 /nfs/dbraw/zinc/82/39/74/1077823974.db2.gz GMUMCFMHWDLLHB-INIZCTEOSA-N 1 2 411.466 0.432 20 0 HCADLO O=C(Nc1cccnc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495384814 1077823973 /nfs/dbraw/zinc/82/39/73/1077823973.db2.gz GMUMCFMHWDLLHB-INIZCTEOSA-N 1 2 411.466 0.432 20 0 HCADLO O=C(Nc1cccnc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495384817 1077823978 /nfs/dbraw/zinc/82/39/78/1077823978.db2.gz GMUMCFMHWDLLHB-MRXNPFEDSA-N 1 2 411.466 0.432 20 0 HCADLO O=C(Nc1cccnc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495384817 1077823977 /nfs/dbraw/zinc/82/39/77/1077823977.db2.gz GMUMCFMHWDLLHB-MRXNPFEDSA-N 1 2 411.466 0.432 20 0 HCADLO CC(C)[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495385338 1077823966 /nfs/dbraw/zinc/82/39/66/1077823966.db2.gz KTAUCUHQAKDNDK-JXFKEZNVSA-N 1 2 406.531 0.988 20 0 HCADLO CC(C)[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495385338 1077823964 /nfs/dbraw/zinc/82/39/64/1077823964.db2.gz KTAUCUHQAKDNDK-JXFKEZNVSA-N 1 2 406.531 0.988 20 0 HCADLO CC(C)[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495385339 1077823931 /nfs/dbraw/zinc/82/39/31/1077823931.db2.gz KTAUCUHQAKDNDK-OXJNMPFZSA-N 1 2 406.531 0.988 20 0 HCADLO CC(C)[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495385339 1077823930 /nfs/dbraw/zinc/82/39/30/1077823930.db2.gz KTAUCUHQAKDNDK-OXJNMPFZSA-N 1 2 406.531 0.988 20 0 HCADLO CC(C)[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495385340 1077823938 /nfs/dbraw/zinc/82/39/38/1077823938.db2.gz KTAUCUHQAKDNDK-OXQOHEQNSA-N 1 2 406.531 0.988 20 0 HCADLO CC(C)[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495385340 1077823937 /nfs/dbraw/zinc/82/39/37/1077823937.db2.gz KTAUCUHQAKDNDK-OXQOHEQNSA-N 1 2 406.531 0.988 20 0 HCADLO CC(C)[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495385341 1077823994 /nfs/dbraw/zinc/82/39/94/1077823994.db2.gz KTAUCUHQAKDNDK-UZLBHIALSA-N 1 2 406.531 0.988 20 0 HCADLO CC(C)[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495385341 1077823991 /nfs/dbraw/zinc/82/39/91/1077823991.db2.gz KTAUCUHQAKDNDK-UZLBHIALSA-N 1 2 406.531 0.988 20 0 HCADLO Cn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000495386808 1077825170 /nfs/dbraw/zinc/82/51/70/1077825170.db2.gz YYMJQWAFKHQHJC-UHFFFAOYSA-N 1 2 400.357 0.880 20 0 HCADLO Cn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000495386808 1077825169 /nfs/dbraw/zinc/82/51/69/1077825169.db2.gz YYMJQWAFKHQHJC-UHFFFAOYSA-N 1 2 400.357 0.880 20 0 HCADLO CC(C)(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(N)=O ZINC000495390320 1077825538 /nfs/dbraw/zinc/82/55/38/1077825538.db2.gz DAZWCIAUYCMKLY-AWEZNQCLSA-N 1 2 405.503 0.093 20 0 HCADLO CC(C)(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(N)=O ZINC000495390320 1077825537 /nfs/dbraw/zinc/82/55/37/1077825537.db2.gz DAZWCIAUYCMKLY-AWEZNQCLSA-N 1 2 405.503 0.093 20 0 HCADLO CC(C)(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(N)=O ZINC000495390321 1077825504 /nfs/dbraw/zinc/82/55/04/1077825504.db2.gz DAZWCIAUYCMKLY-CQSZACIVSA-N 1 2 405.503 0.093 20 0 HCADLO CC(C)(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(N)=O ZINC000495390321 1077825503 /nfs/dbraw/zinc/82/55/03/1077825503.db2.gz DAZWCIAUYCMKLY-CQSZACIVSA-N 1 2 405.503 0.093 20 0 HCADLO COC(=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495390470 1077825544 /nfs/dbraw/zinc/82/55/44/1077825544.db2.gz FBQWWXULRUWCGW-HNNXBMFYSA-N 1 2 406.487 0.534 20 0 HCADLO COC(=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495390470 1077825543 /nfs/dbraw/zinc/82/55/43/1077825543.db2.gz FBQWWXULRUWCGW-HNNXBMFYSA-N 1 2 406.487 0.534 20 0 HCADLO COC(=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495390471 1077825475 /nfs/dbraw/zinc/82/54/75/1077825475.db2.gz FBQWWXULRUWCGW-OAHLLOKOSA-N 1 2 406.487 0.534 20 0 HCADLO COC(=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495390471 1077825474 /nfs/dbraw/zinc/82/54/74/1077825474.db2.gz FBQWWXULRUWCGW-OAHLLOKOSA-N 1 2 406.487 0.534 20 0 HCADLO CNC(=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495390911 1077825904 /nfs/dbraw/zinc/82/59/04/1077825904.db2.gz JNFIVSALEZRTEM-HNNXBMFYSA-N 1 2 405.503 0.107 20 0 HCADLO CNC(=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495390911 1077825901 /nfs/dbraw/zinc/82/59/01/1077825901.db2.gz JNFIVSALEZRTEM-HNNXBMFYSA-N 1 2 405.503 0.107 20 0 HCADLO CNC(=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495390912 1077825868 /nfs/dbraw/zinc/82/58/68/1077825868.db2.gz JNFIVSALEZRTEM-OAHLLOKOSA-N 1 2 405.503 0.107 20 0 HCADLO CNC(=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495390912 1077825867 /nfs/dbraw/zinc/82/58/67/1077825867.db2.gz JNFIVSALEZRTEM-OAHLLOKOSA-N 1 2 405.503 0.107 20 0 HCADLO O=C(NC[C@@H](O)C(F)(F)F)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495390914 1077825942 /nfs/dbraw/zinc/82/59/42/1077825942.db2.gz JNWVLTVHLFYPJU-CHWSQXEVSA-N 1 2 418.420 0.504 20 0 HCADLO O=C(NC[C@@H](O)C(F)(F)F)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495390914 1077825940 /nfs/dbraw/zinc/82/59/40/1077825940.db2.gz JNWVLTVHLFYPJU-CHWSQXEVSA-N 1 2 418.420 0.504 20 0 HCADLO O=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495390915 1077825888 /nfs/dbraw/zinc/82/58/88/1077825888.db2.gz JNWVLTVHLFYPJU-OLZOCXBDSA-N 1 2 418.420 0.504 20 0 HCADLO O=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495390915 1077825887 /nfs/dbraw/zinc/82/58/87/1077825887.db2.gz JNWVLTVHLFYPJU-OLZOCXBDSA-N 1 2 418.420 0.504 20 0 HCADLO O=C(NC[C@@H](O)C(F)(F)F)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495390916 1077825908 /nfs/dbraw/zinc/82/59/08/1077825908.db2.gz JNWVLTVHLFYPJU-QWHCGFSZSA-N 1 2 418.420 0.504 20 0 HCADLO O=C(NC[C@@H](O)C(F)(F)F)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495390916 1077825907 /nfs/dbraw/zinc/82/59/07/1077825907.db2.gz JNWVLTVHLFYPJU-QWHCGFSZSA-N 1 2 418.420 0.504 20 0 HCADLO O=C(NC[C@H](O)C(F)(F)F)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495390917 1077825962 /nfs/dbraw/zinc/82/59/62/1077825962.db2.gz JNWVLTVHLFYPJU-STQMWFEESA-N 1 2 418.420 0.504 20 0 HCADLO O=C(NC[C@H](O)C(F)(F)F)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495390917 1077825960 /nfs/dbraw/zinc/82/59/60/1077825960.db2.gz JNWVLTVHLFYPJU-STQMWFEESA-N 1 2 418.420 0.504 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC[C@H](CO)C1 ZINC000495395968 1077827410 /nfs/dbraw/zinc/82/74/10/1077827410.db2.gz KHYVUBYNKSKQOF-DLBZAZTESA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC[C@H](CO)C1 ZINC000495395968 1077827409 /nfs/dbraw/zinc/82/74/09/1077827409.db2.gz KHYVUBYNKSKQOF-DLBZAZTESA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC[C@@H](CO)C1 ZINC000495395969 1077827430 /nfs/dbraw/zinc/82/74/30/1077827430.db2.gz KHYVUBYNKSKQOF-IAGOWNOFSA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC[C@@H](CO)C1 ZINC000495395969 1077827429 /nfs/dbraw/zinc/82/74/29/1077827429.db2.gz KHYVUBYNKSKQOF-IAGOWNOFSA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC[C@H](CO)C1 ZINC000495395970 1077827438 /nfs/dbraw/zinc/82/74/38/1077827438.db2.gz KHYVUBYNKSKQOF-IRXDYDNUSA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC[C@H](CO)C1 ZINC000495395970 1077827437 /nfs/dbraw/zinc/82/74/37/1077827437.db2.gz KHYVUBYNKSKQOF-IRXDYDNUSA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC[C@@H](CO)C1 ZINC000495395971 1077827399 /nfs/dbraw/zinc/82/73/99/1077827399.db2.gz KHYVUBYNKSKQOF-SJORKVTESA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC[C@@H](CO)C1 ZINC000495395971 1077827397 /nfs/dbraw/zinc/82/73/97/1077827397.db2.gz KHYVUBYNKSKQOF-SJORKVTESA-N 1 2 404.515 0.696 20 0 HCADLO COCCOCCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495396503 1077827236 /nfs/dbraw/zinc/82/72/36/1077827236.db2.gz PQBCGIQCCPLFDF-KRWDZBQOSA-N 1 2 422.530 0.634 20 0 HCADLO COCCOCCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495396503 1077827235 /nfs/dbraw/zinc/82/72/35/1077827235.db2.gz PQBCGIQCCPLFDF-KRWDZBQOSA-N 1 2 422.530 0.634 20 0 HCADLO COCCOCCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495396504 1077827248 /nfs/dbraw/zinc/82/72/48/1077827248.db2.gz PQBCGIQCCPLFDF-QGZVFWFLSA-N 1 2 422.530 0.634 20 0 HCADLO COCCOCCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495396504 1077827246 /nfs/dbraw/zinc/82/72/46/1077827246.db2.gz PQBCGIQCCPLFDF-QGZVFWFLSA-N 1 2 422.530 0.634 20 0 HCADLO O=C(CNC(=O)c1ccccc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495401478 1077826538 /nfs/dbraw/zinc/82/65/38/1077826538.db2.gz MSEGWJCCRLWRJE-GOSISDBHSA-N 1 2 424.505 0.828 20 0 HCADLO O=C(CNC(=O)c1ccccc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495401478 1077826534 /nfs/dbraw/zinc/82/65/34/1077826534.db2.gz MSEGWJCCRLWRJE-GOSISDBHSA-N 1 2 424.505 0.828 20 0 HCADLO O=C(CNC(=O)c1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495401479 1077826484 /nfs/dbraw/zinc/82/64/84/1077826484.db2.gz MSEGWJCCRLWRJE-SFHVURJKSA-N 1 2 424.505 0.828 20 0 HCADLO O=C(CNC(=O)c1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495401479 1077826482 /nfs/dbraw/zinc/82/64/82/1077826482.db2.gz MSEGWJCCRLWRJE-SFHVURJKSA-N 1 2 424.505 0.828 20 0 HCADLO Cc1noc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495402676 1077826695 /nfs/dbraw/zinc/82/66/95/1077826695.db2.gz SASFRWBIYCIVEA-AWEZNQCLSA-N 1 2 402.459 0.473 20 0 HCADLO Cc1noc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495402676 1077826693 /nfs/dbraw/zinc/82/66/93/1077826693.db2.gz SASFRWBIYCIVEA-AWEZNQCLSA-N 1 2 402.459 0.473 20 0 HCADLO Cc1noc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495402681 1077826701 /nfs/dbraw/zinc/82/67/01/1077826701.db2.gz SASFRWBIYCIVEA-CQSZACIVSA-N 1 2 402.459 0.473 20 0 HCADLO Cc1noc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495402681 1077826698 /nfs/dbraw/zinc/82/66/98/1077826698.db2.gz SASFRWBIYCIVEA-CQSZACIVSA-N 1 2 402.459 0.473 20 0 HCADLO CN(Cc1cnn(C)c1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495410391 1077827857 /nfs/dbraw/zinc/82/78/57/1077827857.db2.gz WBJRKVZYCVHXMZ-KRWDZBQOSA-N 1 2 414.514 0.857 20 0 HCADLO CN(Cc1cnn(C)c1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495410391 1077827855 /nfs/dbraw/zinc/82/78/55/1077827855.db2.gz WBJRKVZYCVHXMZ-KRWDZBQOSA-N 1 2 414.514 0.857 20 0 HCADLO CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495410392 1077827897 /nfs/dbraw/zinc/82/78/97/1077827897.db2.gz WBJRKVZYCVHXMZ-QGZVFWFLSA-N 1 2 414.514 0.857 20 0 HCADLO CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495410392 1077827893 /nfs/dbraw/zinc/82/78/93/1077827893.db2.gz WBJRKVZYCVHXMZ-QGZVFWFLSA-N 1 2 414.514 0.857 20 0 HCADLO O=C(CNC(=O)c1ccco1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495410617 1077827885 /nfs/dbraw/zinc/82/78/85/1077827885.db2.gz YCVNWPNDWJPPHS-HNNXBMFYSA-N 1 2 414.466 0.421 20 0 HCADLO O=C(CNC(=O)c1ccco1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495410617 1077827884 /nfs/dbraw/zinc/82/78/84/1077827884.db2.gz YCVNWPNDWJPPHS-HNNXBMFYSA-N 1 2 414.466 0.421 20 0 HCADLO O=C(CNC(=O)c1ccco1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495410618 1077827798 /nfs/dbraw/zinc/82/77/98/1077827798.db2.gz YCVNWPNDWJPPHS-OAHLLOKOSA-N 1 2 414.466 0.421 20 0 HCADLO O=C(CNC(=O)c1ccco1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495410618 1077827795 /nfs/dbraw/zinc/82/77/95/1077827795.db2.gz YCVNWPNDWJPPHS-OAHLLOKOSA-N 1 2 414.466 0.421 20 0 HCADLO CNC(=O)CCN(C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495413259 1077829363 /nfs/dbraw/zinc/82/93/63/1077829363.db2.gz DBHKESVMLHFYEG-HNNXBMFYSA-N 1 2 405.503 0.060 20 0 HCADLO CNC(=O)CCN(C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495413259 1077829362 /nfs/dbraw/zinc/82/93/62/1077829362.db2.gz DBHKESVMLHFYEG-HNNXBMFYSA-N 1 2 405.503 0.060 20 0 HCADLO CNC(=O)CCN(C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495413260 1077829396 /nfs/dbraw/zinc/82/93/96/1077829396.db2.gz DBHKESVMLHFYEG-OAHLLOKOSA-N 1 2 405.503 0.060 20 0 HCADLO CNC(=O)CCN(C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495413260 1077829395 /nfs/dbraw/zinc/82/93/95/1077829395.db2.gz DBHKESVMLHFYEG-OAHLLOKOSA-N 1 2 405.503 0.060 20 0 HCADLO COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000495413917 1077828627 /nfs/dbraw/zinc/82/86/27/1077828627.db2.gz FWVSLSKYARUIFS-CVEARBPZSA-N 1 2 418.498 0.487 20 0 HCADLO COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000495413917 1077828625 /nfs/dbraw/zinc/82/86/25/1077828625.db2.gz FWVSLSKYARUIFS-CVEARBPZSA-N 1 2 418.498 0.487 20 0 HCADLO COC(=O)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000495413919 1077828619 /nfs/dbraw/zinc/82/86/19/1077828619.db2.gz FWVSLSKYARUIFS-HOTGVXAUSA-N 1 2 418.498 0.487 20 0 HCADLO COC(=O)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000495413919 1077828617 /nfs/dbraw/zinc/82/86/17/1077828617.db2.gz FWVSLSKYARUIFS-HOTGVXAUSA-N 1 2 418.498 0.487 20 0 HCADLO COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000495413920 1077828542 /nfs/dbraw/zinc/82/85/42/1077828542.db2.gz FWVSLSKYARUIFS-HZPDHXFCSA-N 1 2 418.498 0.487 20 0 HCADLO COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000495413920 1077828541 /nfs/dbraw/zinc/82/85/41/1077828541.db2.gz FWVSLSKYARUIFS-HZPDHXFCSA-N 1 2 418.498 0.487 20 0 HCADLO COC(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000495413921 1077828611 /nfs/dbraw/zinc/82/86/11/1077828611.db2.gz FWVSLSKYARUIFS-JKSUJKDBSA-N 1 2 418.498 0.487 20 0 HCADLO COC(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000495413921 1077828610 /nfs/dbraw/zinc/82/86/10/1077828610.db2.gz FWVSLSKYARUIFS-JKSUJKDBSA-N 1 2 418.498 0.487 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCn2cnnc2C1 ZINC000495422343 1077829553 /nfs/dbraw/zinc/82/95/53/1077829553.db2.gz ZWPFLABLBXMOFE-HNNXBMFYSA-N 1 2 413.486 0.099 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCn2cnnc2C1 ZINC000495422343 1077829552 /nfs/dbraw/zinc/82/95/52/1077829552.db2.gz ZWPFLABLBXMOFE-HNNXBMFYSA-N 1 2 413.486 0.099 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCn2cnnc2C1 ZINC000495422344 1077829785 /nfs/dbraw/zinc/82/97/85/1077829785.db2.gz ZWPFLABLBXMOFE-OAHLLOKOSA-N 1 2 413.486 0.099 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCn2cnnc2C1 ZINC000495422344 1077829784 /nfs/dbraw/zinc/82/97/84/1077829784.db2.gz ZWPFLABLBXMOFE-OAHLLOKOSA-N 1 2 413.486 0.099 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000495425454 1077829971 /nfs/dbraw/zinc/82/99/71/1077829971.db2.gz BERHELFFEVVXRS-DLBZAZTESA-N 1 2 417.620 0.714 20 0 HCADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000495425455 1077829910 /nfs/dbraw/zinc/82/99/10/1077829910.db2.gz BERHELFFEVVXRS-IAGOWNOFSA-N 1 2 417.620 0.714 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000495425456 1077829903 /nfs/dbraw/zinc/82/99/03/1077829903.db2.gz BERHELFFEVVXRS-IRXDYDNUSA-N 1 2 417.620 0.714 20 0 HCADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000495425457 1077829933 /nfs/dbraw/zinc/82/99/33/1077829933.db2.gz BERHELFFEVVXRS-SJORKVTESA-N 1 2 417.620 0.714 20 0 HCADLO NC(=O)C1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495425989 1077830116 /nfs/dbraw/zinc/83/01/16/1077830116.db2.gz IFMMMBHKVGOPQT-INIZCTEOSA-N 1 2 417.514 0.189 20 0 HCADLO NC(=O)C1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495425989 1077830115 /nfs/dbraw/zinc/83/01/15/1077830115.db2.gz IFMMMBHKVGOPQT-INIZCTEOSA-N 1 2 417.514 0.189 20 0 HCADLO NC(=O)C1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495425990 1077830124 /nfs/dbraw/zinc/83/01/24/1077830124.db2.gz IFMMMBHKVGOPQT-MRXNPFEDSA-N 1 2 417.514 0.189 20 0 HCADLO NC(=O)C1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495425990 1077830123 /nfs/dbraw/zinc/83/01/23/1077830123.db2.gz IFMMMBHKVGOPQT-MRXNPFEDSA-N 1 2 417.514 0.189 20 0 HCADLO CN(Cc1cc[nH]n1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495426678 1077829954 /nfs/dbraw/zinc/82/99/54/1077829954.db2.gz MRQNWUVSADZGNM-HNNXBMFYSA-N 1 2 400.487 0.847 20 0 HCADLO CN(Cc1cc[nH]n1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495426678 1077829953 /nfs/dbraw/zinc/82/99/53/1077829953.db2.gz MRQNWUVSADZGNM-HNNXBMFYSA-N 1 2 400.487 0.847 20 0 HCADLO CN(Cc1cc[nH]n1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495426682 1077829926 /nfs/dbraw/zinc/82/99/26/1077829926.db2.gz MRQNWUVSADZGNM-OAHLLOKOSA-N 1 2 400.487 0.847 20 0 HCADLO CN(Cc1cc[nH]n1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495426682 1077829925 /nfs/dbraw/zinc/82/99/25/1077829925.db2.gz MRQNWUVSADZGNM-OAHLLOKOSA-N 1 2 400.487 0.847 20 0 HCADLO CN(CCn1cccn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495427593 1077830164 /nfs/dbraw/zinc/83/01/64/1077830164.db2.gz RWQNLEUCQPPNHI-KRWDZBQOSA-N 1 2 414.514 0.820 20 0 HCADLO CN(CCn1cccn1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495427593 1077830163 /nfs/dbraw/zinc/83/01/63/1077830163.db2.gz RWQNLEUCQPPNHI-KRWDZBQOSA-N 1 2 414.514 0.820 20 0 HCADLO CN(CCn1cccn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495427594 1077830171 /nfs/dbraw/zinc/83/01/71/1077830171.db2.gz RWQNLEUCQPPNHI-QGZVFWFLSA-N 1 2 414.514 0.820 20 0 HCADLO CN(CCn1cccn1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495427594 1077830170 /nfs/dbraw/zinc/83/01/70/1077830170.db2.gz RWQNLEUCQPPNHI-QGZVFWFLSA-N 1 2 414.514 0.820 20 0 HCADLO C[C@](O)(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000495428587 1077830343 /nfs/dbraw/zinc/83/03/43/1077830343.db2.gz YGSHIXJHKFYLGZ-JXFKEZNVSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@](O)(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000495428587 1077830342 /nfs/dbraw/zinc/83/03/42/1077830342.db2.gz YGSHIXJHKFYLGZ-JXFKEZNVSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@@](O)(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000495428588 1077830280 /nfs/dbraw/zinc/83/02/80/1077830280.db2.gz YGSHIXJHKFYLGZ-OXJNMPFZSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@@](O)(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000495428588 1077830277 /nfs/dbraw/zinc/83/02/77/1077830277.db2.gz YGSHIXJHKFYLGZ-OXJNMPFZSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@@](O)(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000495428589 1077830337 /nfs/dbraw/zinc/83/03/37/1077830337.db2.gz YGSHIXJHKFYLGZ-OXQOHEQNSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@@](O)(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000495428589 1077830336 /nfs/dbraw/zinc/83/03/36/1077830336.db2.gz YGSHIXJHKFYLGZ-OXQOHEQNSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@](O)(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000495428590 1077830329 /nfs/dbraw/zinc/83/03/29/1077830329.db2.gz YGSHIXJHKFYLGZ-UZLBHIALSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@](O)(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000495428590 1077830327 /nfs/dbraw/zinc/83/03/27/1077830327.db2.gz YGSHIXJHKFYLGZ-UZLBHIALSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000495435702 1077830953 /nfs/dbraw/zinc/83/09/53/1077830953.db2.gz ZHPPUTNZJOWYEP-CVEARBPZSA-N 1 2 401.577 0.126 20 0 HCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000495435703 1077830988 /nfs/dbraw/zinc/83/09/88/1077830988.db2.gz ZHPPUTNZJOWYEP-HOTGVXAUSA-N 1 2 401.577 0.126 20 0 HCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000495435704 1077831004 /nfs/dbraw/zinc/83/10/04/1077831004.db2.gz ZHPPUTNZJOWYEP-HZPDHXFCSA-N 1 2 401.577 0.126 20 0 HCADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000495435705 1077830942 /nfs/dbraw/zinc/83/09/42/1077830942.db2.gz ZHPPUTNZJOWYEP-JKSUJKDBSA-N 1 2 401.577 0.126 20 0 HCADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000495448348 1077832400 /nfs/dbraw/zinc/83/24/00/1077832400.db2.gz QUSFSPJRZIPSDI-UHFFFAOYSA-N 1 2 419.485 0.997 20 0 HCADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000495448348 1077832396 /nfs/dbraw/zinc/83/23/96/1077832396.db2.gz QUSFSPJRZIPSDI-UHFFFAOYSA-N 1 2 419.485 0.997 20 0 HCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000495450100 1077832521 /nfs/dbraw/zinc/83/25/21/1077832521.db2.gz KQOBEFOMVHHBHH-FGTMMUONSA-N 1 2 415.538 0.841 20 0 HCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000495450101 1077832483 /nfs/dbraw/zinc/83/24/83/1077832483.db2.gz KQOBEFOMVHHBHH-KURKYZTESA-N 1 2 415.538 0.841 20 0 HCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000495450102 1077832509 /nfs/dbraw/zinc/83/25/09/1077832509.db2.gz KQOBEFOMVHHBHH-KZNAEPCWSA-N 1 2 415.538 0.841 20 0 HCADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000495450103 1077832539 /nfs/dbraw/zinc/83/25/39/1077832539.db2.gz KQOBEFOMVHHBHH-SQNIBIBYSA-N 1 2 415.538 0.841 20 0 HCADLO CC1(C)NC(=O)N(CC[NH+]2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000495490360 1077835396 /nfs/dbraw/zinc/83/53/96/1077835396.db2.gz GNMIMBDJJWKVJA-HNNXBMFYSA-N 1 2 407.902 0.814 20 0 HCADLO CC1(C)NC(=O)N(CC[NH+]2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000495490361 1077835416 /nfs/dbraw/zinc/83/54/16/1077835416.db2.gz GNMIMBDJJWKVJA-OAHLLOKOSA-N 1 2 407.902 0.814 20 0 HCADLO O=C([C@@H](O)CCc1ccccc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000495493716 1077835727 /nfs/dbraw/zinc/83/57/27/1077835727.db2.gz JHJIVIIAFJVQIO-IBGZPJMESA-N 1 2 411.506 0.956 20 0 HCADLO O=C([C@@H](O)CCc1ccccc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000495493716 1077835725 /nfs/dbraw/zinc/83/57/25/1077835725.db2.gz JHJIVIIAFJVQIO-IBGZPJMESA-N 1 2 411.506 0.956 20 0 HCADLO O=C([C@H](O)CCc1ccccc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000495493717 1077835774 /nfs/dbraw/zinc/83/57/74/1077835774.db2.gz JHJIVIIAFJVQIO-LJQANCHMSA-N 1 2 411.506 0.956 20 0 HCADLO O=C([C@H](O)CCc1ccccc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000495493717 1077835772 /nfs/dbraw/zinc/83/57/72/1077835772.db2.gz JHJIVIIAFJVQIO-LJQANCHMSA-N 1 2 411.506 0.956 20 0 HCADLO O=C(Nc1cccc2c1CNC2=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000495546937 1077841923 /nfs/dbraw/zinc/84/19/23/1077841923.db2.gz KEXCUHQEWBXFDF-UHFFFAOYSA-N 1 2 423.477 0.911 20 0 HCADLO O=C(Nc1cccc2c1CNC2=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000495546937 1077841922 /nfs/dbraw/zinc/84/19/22/1077841922.db2.gz KEXCUHQEWBXFDF-UHFFFAOYSA-N 1 2 423.477 0.911 20 0 HCADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000495670359 1077861121 /nfs/dbraw/zinc/86/11/21/1077861121.db2.gz LNIBROUIMPNRHH-AWEZNQCLSA-N 1 2 417.553 0.298 20 0 HCADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000495670360 1077861075 /nfs/dbraw/zinc/86/10/75/1077861075.db2.gz LNIBROUIMPNRHH-CQSZACIVSA-N 1 2 417.553 0.298 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](COC)c2ccco2)CC1 ZINC000495832328 1077918739 /nfs/dbraw/zinc/91/87/39/1077918739.db2.gz ZGIIOIHPEQLNAZ-INIZCTEOSA-N 1 2 408.499 0.486 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](COC)c2ccco2)CC1 ZINC000495832328 1077918733 /nfs/dbraw/zinc/91/87/33/1077918733.db2.gz ZGIIOIHPEQLNAZ-INIZCTEOSA-N 1 2 408.499 0.486 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](COC)c2ccco2)CC1 ZINC000495832329 1077918601 /nfs/dbraw/zinc/91/86/01/1077918601.db2.gz ZGIIOIHPEQLNAZ-MRXNPFEDSA-N 1 2 408.499 0.486 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](COC)c2ccco2)CC1 ZINC000495832329 1077918596 /nfs/dbraw/zinc/91/85/96/1077918596.db2.gz ZGIIOIHPEQLNAZ-MRXNPFEDSA-N 1 2 408.499 0.486 20 0 HCADLO COC[C@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccco1 ZINC000495845864 1077922595 /nfs/dbraw/zinc/92/25/95/1077922595.db2.gz RQWYDCSHOMZKAQ-AWEZNQCLSA-N 1 2 413.438 0.109 20 0 HCADLO COC[C@@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccco1 ZINC000495845865 1077922564 /nfs/dbraw/zinc/92/25/64/1077922564.db2.gz RQWYDCSHOMZKAQ-CQSZACIVSA-N 1 2 413.438 0.109 20 0 HCADLO Cc1cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc(S(N)(=O)=O)c1C ZINC000495880806 1077935132 /nfs/dbraw/zinc/93/51/32/1077935132.db2.gz CUNQTEMMBYANHU-UHFFFAOYSA-N 1 2 418.523 0.293 20 0 HCADLO COc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1OCCO ZINC000495881430 1077936479 /nfs/dbraw/zinc/93/64/79/1077936479.db2.gz PUTXVYRHNRBEOD-UHFFFAOYSA-N 1 2 401.467 0.408 20 0 HCADLO COCC[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000495916883 1077946436 /nfs/dbraw/zinc/94/64/36/1077946436.db2.gz AKMYLAJZZLCMSH-UHFFFAOYSA-N 1 2 411.524 0.884 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000495917442 1077947853 /nfs/dbraw/zinc/94/78/53/1077947853.db2.gz MOJWTFBQZSBIDR-AOIWGVFYSA-N 1 2 418.538 0.169 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000495917443 1077948010 /nfs/dbraw/zinc/94/80/10/1077948010.db2.gz MOJWTFBQZSBIDR-JENIJYKNSA-N 1 2 418.538 0.169 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000495917444 1077947986 /nfs/dbraw/zinc/94/79/86/1077947986.db2.gz MOJWTFBQZSBIDR-LNLFQRSKSA-N 1 2 418.538 0.169 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000495917445 1077947879 /nfs/dbraw/zinc/94/78/79/1077947879.db2.gz MOJWTFBQZSBIDR-ZIFCJYIRSA-N 1 2 418.538 0.169 20 0 HCADLO O=C(C[N@H+]1CCCN(C(=O)CSCC(=O)N2CCCCC2)CC1)N1CCCC1 ZINC000495918245 1077947665 /nfs/dbraw/zinc/94/76/65/1077947665.db2.gz UXTIHKMCWOROFY-UHFFFAOYSA-N 1 2 410.584 0.889 20 0 HCADLO O=C(C[N@@H+]1CCCN(C(=O)CSCC(=O)N2CCCCC2)CC1)N1CCCC1 ZINC000495918245 1077947654 /nfs/dbraw/zinc/94/76/54/1077947654.db2.gz UXTIHKMCWOROFY-UHFFFAOYSA-N 1 2 410.584 0.889 20 0 HCADLO COCC[NH+]1CCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CC1 ZINC000495936837 1077950078 /nfs/dbraw/zinc/95/00/78/1077950078.db2.gz ISUANWQCMOYXGE-UHFFFAOYSA-N 1 2 424.567 0.237 20 0 HCADLO CCn1c2ccc(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)cc2[nH]c(=O)c1=O ZINC000495937615 1077950283 /nfs/dbraw/zinc/95/02/83/1077950283.db2.gz RFEAMCYACWMHCA-UHFFFAOYSA-N 1 2 423.477 0.052 20 0 HCADLO COCC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000495951136 1077951438 /nfs/dbraw/zinc/95/14/38/1077951438.db2.gz COZWDXGEXJDBHL-UHFFFAOYSA-N 1 2 411.524 0.420 20 0 HCADLO CNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000495951624 1077951422 /nfs/dbraw/zinc/95/14/22/1077951422.db2.gz FFGMTUVSOBABRQ-UHFFFAOYSA-N 1 2 408.524 0.365 20 0 HCADLO CNS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000495951624 1077951412 /nfs/dbraw/zinc/95/14/12/1077951412.db2.gz FFGMTUVSOBABRQ-UHFFFAOYSA-N 1 2 408.524 0.365 20 0 HCADLO CN(C)C(=O)COc1ccccc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000495951648 1077951719 /nfs/dbraw/zinc/95/17/19/1077951719.db2.gz FLVUECUTCIGSFT-UHFFFAOYSA-N 1 2 416.522 0.924 20 0 HCADLO CN(C)C(=O)COc1ccccc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000495951648 1077951714 /nfs/dbraw/zinc/95/17/14/1077951714.db2.gz FLVUECUTCIGSFT-UHFFFAOYSA-N 1 2 416.522 0.924 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000495952866 1077951739 /nfs/dbraw/zinc/95/17/39/1077951739.db2.gz JQYVGFORZJEFJL-KRWDZBQOSA-N 1 2 422.551 0.510 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000495952866 1077951734 /nfs/dbraw/zinc/95/17/34/1077951734.db2.gz JQYVGFORZJEFJL-KRWDZBQOSA-N 1 2 422.551 0.510 20 0 HCADLO O=C(C[N@H+]1CCCN(C(=O)c2cccnc2N2CCOCC2)CC1)N1CCCC1 ZINC000495953290 1077951910 /nfs/dbraw/zinc/95/19/10/1077951910.db2.gz KQKCNWBYLCYZQN-UHFFFAOYSA-N 1 2 401.511 0.689 20 0 HCADLO O=C(C[N@@H+]1CCCN(C(=O)c2cccnc2N2CCOCC2)CC1)N1CCCC1 ZINC000495953290 1077951903 /nfs/dbraw/zinc/95/19/03/1077951903.db2.gz KQKCNWBYLCYZQN-UHFFFAOYSA-N 1 2 401.511 0.689 20 0 HCADLO CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000495980801 1077957799 /nfs/dbraw/zinc/95/77/99/1077957799.db2.gz GSVPQSOUCZGPIP-UHFFFAOYSA-N 1 2 422.551 0.755 20 0 HCADLO CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000495980801 1077957792 /nfs/dbraw/zinc/95/77/92/1077957792.db2.gz GSVPQSOUCZGPIP-UHFFFAOYSA-N 1 2 422.551 0.755 20 0 HCADLO COCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000495982274 1077959400 /nfs/dbraw/zinc/95/94/00/1077959400.db2.gz OFOBHWWGQVEBSV-UHFFFAOYSA-N 1 2 402.542 0.156 20 0 HCADLO COCC[NH+]1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)CC1 ZINC000495982276 1077959161 /nfs/dbraw/zinc/95/91/61/1077959161.db2.gz OMMYQPWBANPVOJ-KRWDZBQOSA-N 1 2 401.504 0.919 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](COC)c2ccc(C)o2)CC1 ZINC000495984338 1077958456 /nfs/dbraw/zinc/95/84/56/1077958456.db2.gz ARRRJKCOSDNKEG-KRWDZBQOSA-N 1 2 422.526 0.794 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](COC)c2ccc(C)o2)CC1 ZINC000495984338 1077958449 /nfs/dbraw/zinc/95/84/49/1077958449.db2.gz ARRRJKCOSDNKEG-KRWDZBQOSA-N 1 2 422.526 0.794 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](COC)c2ccc(C)o2)CC1 ZINC000495984339 1077958313 /nfs/dbraw/zinc/95/83/13/1077958313.db2.gz ARRRJKCOSDNKEG-QGZVFWFLSA-N 1 2 422.526 0.794 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](COC)c2ccc(C)o2)CC1 ZINC000495984339 1077958307 /nfs/dbraw/zinc/95/83/07/1077958307.db2.gz ARRRJKCOSDNKEG-QGZVFWFLSA-N 1 2 422.526 0.794 20 0 HCADLO COc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ccc1OCC(N)=O ZINC000495998799 1077961153 /nfs/dbraw/zinc/96/11/53/1077961153.db2.gz DCYZGOQEHLWBTD-UHFFFAOYSA-N 1 2 418.494 0.330 20 0 HCADLO COc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccc1OCC(N)=O ZINC000495998799 1077961146 /nfs/dbraw/zinc/96/11/46/1077961146.db2.gz DCYZGOQEHLWBTD-UHFFFAOYSA-N 1 2 418.494 0.330 20 0 HCADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000496012436 1077964683 /nfs/dbraw/zinc/96/46/83/1077964683.db2.gz CFBGVOCWWJABIN-GOSISDBHSA-N 1 2 416.522 0.727 20 0 HCADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000496012436 1077964674 /nfs/dbraw/zinc/96/46/74/1077964674.db2.gz CFBGVOCWWJABIN-GOSISDBHSA-N 1 2 416.522 0.727 20 0 HCADLO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000496012438 1077964737 /nfs/dbraw/zinc/96/47/37/1077964737.db2.gz CFBGVOCWWJABIN-SFHVURJKSA-N 1 2 416.522 0.727 20 0 HCADLO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000496012438 1077964733 /nfs/dbraw/zinc/96/47/33/1077964733.db2.gz CFBGVOCWWJABIN-SFHVURJKSA-N 1 2 416.522 0.727 20 0 HCADLO COCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 ZINC000496013457 1077965643 /nfs/dbraw/zinc/96/56/43/1077965643.db2.gz IUZGDJHBZVWEMY-UHFFFAOYSA-N 1 2 411.524 0.420 20 0 HCADLO CCc1cnccc1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000496016340 1077966446 /nfs/dbraw/zinc/96/64/46/1077966446.db2.gz VGTWNQHVMOFCJV-UHFFFAOYSA-N 1 2 410.478 0.682 20 0 HCADLO COCCNC(=O)CN1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000496062393 1077980450 /nfs/dbraw/zinc/98/04/50/1077980450.db2.gz YDVBKPDTWJWZOV-UHFFFAOYSA-N 1 2 419.551 0.783 20 0 HCADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000496090899 1078004927 /nfs/dbraw/zinc/00/49/27/1078004927.db2.gz LSCHMIFNHCNDAQ-HKUYNNGSSA-N 1 2 410.559 0.315 20 0 HCADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000496090899 1078004922 /nfs/dbraw/zinc/00/49/22/1078004922.db2.gz LSCHMIFNHCNDAQ-HKUYNNGSSA-N 1 2 410.559 0.315 20 0 HCADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000496090901 1078005108 /nfs/dbraw/zinc/00/51/08/1078005108.db2.gz LSCHMIFNHCNDAQ-IEBWSBKVSA-N 1 2 410.559 0.315 20 0 HCADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000496090901 1078005100 /nfs/dbraw/zinc/00/51/00/1078005100.db2.gz LSCHMIFNHCNDAQ-IEBWSBKVSA-N 1 2 410.559 0.315 20 0 HCADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000496090902 1078005016 /nfs/dbraw/zinc/00/50/16/1078005016.db2.gz LSCHMIFNHCNDAQ-MJGOQNOKSA-N 1 2 410.559 0.315 20 0 HCADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000496090902 1078005009 /nfs/dbraw/zinc/00/50/09/1078005009.db2.gz LSCHMIFNHCNDAQ-MJGOQNOKSA-N 1 2 410.559 0.315 20 0 HCADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000496090904 1078004886 /nfs/dbraw/zinc/00/48/86/1078004886.db2.gz LSCHMIFNHCNDAQ-PKOBYXMFSA-N 1 2 410.559 0.315 20 0 HCADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000496090904 1078004880 /nfs/dbraw/zinc/00/48/80/1078004880.db2.gz LSCHMIFNHCNDAQ-PKOBYXMFSA-N 1 2 410.559 0.315 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CC1 ZINC000496198645 1078054808 /nfs/dbraw/zinc/05/48/08/1078054808.db2.gz UUWVFLAJOUOEDF-UHFFFAOYSA-N 1 2 415.498 0.693 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CC1 ZINC000496198645 1078054804 /nfs/dbraw/zinc/05/48/04/1078054804.db2.gz UUWVFLAJOUOEDF-UHFFFAOYSA-N 1 2 415.498 0.693 20 0 HCADLO COC(=O)c1cn(CCNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)nn1 ZINC000496221438 1078055768 /nfs/dbraw/zinc/05/57/68/1078055768.db2.gz IYVSCPQQGTVKDT-KRWDZBQOSA-N 1 2 416.482 0.307 20 0 HCADLO COC(=O)c1cn(CCNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)nn1 ZINC000496221439 1078055832 /nfs/dbraw/zinc/05/58/32/1078055832.db2.gz IYVSCPQQGTVKDT-QGZVFWFLSA-N 1 2 416.482 0.307 20 0 HCADLO O=C(CCCn1cccn1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000496393776 1078067911 /nfs/dbraw/zinc/06/79/11/1078067911.db2.gz JWCLQYXQNFJRPH-UHFFFAOYSA-N 1 2 406.512 0.327 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccncc2F)CC1 ZINC000496445976 1078071536 /nfs/dbraw/zinc/07/15/36/1078071536.db2.gz DZNGMYLCAYGECN-HNNXBMFYSA-N 1 2 407.490 0.801 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccncc2F)CC1 ZINC000496445976 1078071525 /nfs/dbraw/zinc/07/15/25/1078071525.db2.gz DZNGMYLCAYGECN-HNNXBMFYSA-N 1 2 407.490 0.801 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2ccncc2F)CC1 ZINC000496445977 1078071627 /nfs/dbraw/zinc/07/16/27/1078071627.db2.gz DZNGMYLCAYGECN-OAHLLOKOSA-N 1 2 407.490 0.801 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2ccncc2F)CC1 ZINC000496445977 1078071622 /nfs/dbraw/zinc/07/16/22/1078071622.db2.gz DZNGMYLCAYGECN-OAHLLOKOSA-N 1 2 407.490 0.801 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccncc1F ZINC000496500807 1078076107 /nfs/dbraw/zinc/07/61/07/1078076107.db2.gz XUWHGKRMBMPNID-GFCCVEGCSA-N 1 2 412.429 0.423 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccncc1F ZINC000496500809 1078076171 /nfs/dbraw/zinc/07/61/71/1078076171.db2.gz XUWHGKRMBMPNID-LBPRGKRZSA-N 1 2 412.429 0.423 20 0 HCADLO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)o1 ZINC000496501268 1078076203 /nfs/dbraw/zinc/07/62/03/1078076203.db2.gz ZDGVYXKYZFMQJS-GDBMZVCRSA-N 1 2 409.483 0.742 20 0 HCADLO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)o1 ZINC000496501268 1078076201 /nfs/dbraw/zinc/07/62/01/1078076201.db2.gz ZDGVYXKYZFMQJS-GDBMZVCRSA-N 1 2 409.483 0.742 20 0 HCADLO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)o1 ZINC000496501269 1078076120 /nfs/dbraw/zinc/07/61/20/1078076120.db2.gz ZDGVYXKYZFMQJS-GOEBONIOSA-N 1 2 409.483 0.742 20 0 HCADLO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)o1 ZINC000496501269 1078076115 /nfs/dbraw/zinc/07/61/15/1078076115.db2.gz ZDGVYXKYZFMQJS-GOEBONIOSA-N 1 2 409.483 0.742 20 0 HCADLO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)o1 ZINC000496501270 1078076084 /nfs/dbraw/zinc/07/60/84/1078076084.db2.gz ZDGVYXKYZFMQJS-HOCLYGCPSA-N 1 2 409.483 0.742 20 0 HCADLO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)o1 ZINC000496501270 1078076079 /nfs/dbraw/zinc/07/60/79/1078076079.db2.gz ZDGVYXKYZFMQJS-HOCLYGCPSA-N 1 2 409.483 0.742 20 0 HCADLO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)o1 ZINC000496501271 1078076215 /nfs/dbraw/zinc/07/62/15/1078076215.db2.gz ZDGVYXKYZFMQJS-ZBFHGGJFSA-N 1 2 409.483 0.742 20 0 HCADLO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)o1 ZINC000496501271 1078076211 /nfs/dbraw/zinc/07/62/11/1078076211.db2.gz ZDGVYXKYZFMQJS-ZBFHGGJFSA-N 1 2 409.483 0.742 20 0 HCADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000496598390 1078079254 /nfs/dbraw/zinc/07/92/54/1078079254.db2.gz FZVXEXFEOMLQDM-KRWDZBQOSA-N 1 2 424.571 0.309 20 0 HCADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000496598391 1078079355 /nfs/dbraw/zinc/07/93/55/1078079355.db2.gz FZVXEXFEOMLQDM-QGZVFWFLSA-N 1 2 424.571 0.309 20 0 HCADLO CCN1CCO[C@@H](C(=O)NCc2cccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2)C1 ZINC000496616049 1078080215 /nfs/dbraw/zinc/08/02/15/1078080215.db2.gz UQSGEQUPZDMRGM-BGYRXZFFSA-N 1 2 418.538 0.360 20 0 HCADLO CCN1CCO[C@@H](C(=O)NCc2cccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)c2)C1 ZINC000496616049 1078080209 /nfs/dbraw/zinc/08/02/09/1078080209.db2.gz UQSGEQUPZDMRGM-BGYRXZFFSA-N 1 2 418.538 0.360 20 0 HCADLO CCN1CCO[C@H](C(=O)NCc2cccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)c2)C1 ZINC000496616049 1078080203 /nfs/dbraw/zinc/08/02/03/1078080203.db2.gz UQSGEQUPZDMRGM-BGYRXZFFSA-N 1 2 418.538 0.360 20 0 HCADLO CCN1CCO[C@H](C(=O)NCc2cccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)c2)C1 ZINC000496616049 1078080199 /nfs/dbraw/zinc/08/01/99/1078080199.db2.gz UQSGEQUPZDMRGM-BGYRXZFFSA-N 1 2 418.538 0.360 20 0 HCADLO CCN1CCO[C@@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000496755698 1078088937 /nfs/dbraw/zinc/08/89/37/1078088937.db2.gz XJLXQIQQCZVFAF-BGYRXZFFSA-N 1 2 418.538 0.360 20 0 HCADLO CCN1CCO[C@@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000496755698 1078088932 /nfs/dbraw/zinc/08/89/32/1078088932.db2.gz XJLXQIQQCZVFAF-BGYRXZFFSA-N 1 2 418.538 0.360 20 0 HCADLO CCN1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000496755698 1078088928 /nfs/dbraw/zinc/08/89/28/1078088928.db2.gz XJLXQIQQCZVFAF-BGYRXZFFSA-N 1 2 418.538 0.360 20 0 HCADLO CCN1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000496755698 1078088924 /nfs/dbraw/zinc/08/89/24/1078088924.db2.gz XJLXQIQQCZVFAF-BGYRXZFFSA-N 1 2 418.538 0.360 20 0 HCADLO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000496897956 1078094213 /nfs/dbraw/zinc/09/42/13/1078094213.db2.gz YCFASHIEEPPUOM-IBGZPJMESA-N 1 2 417.506 0.759 20 0 HCADLO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000496897957 1078094234 /nfs/dbraw/zinc/09/42/34/1078094234.db2.gz YCFASHIEEPPUOM-LJQANCHMSA-N 1 2 417.506 0.759 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)Nc3cnn(-c4ncccn4)c3)c2)CC1 ZINC000496915158 1078094008 /nfs/dbraw/zinc/09/40/08/1078094008.db2.gz BQAHBJVQTLURNJ-UHFFFAOYSA-N 1 2 420.477 0.987 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000496931870 1078095194 /nfs/dbraw/zinc/09/51/94/1078095194.db2.gz HIOKDPKEKCISEH-KRWDZBQOSA-N 1 2 420.491 0.684 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000496931870 1078095188 /nfs/dbraw/zinc/09/51/88/1078095188.db2.gz HIOKDPKEKCISEH-KRWDZBQOSA-N 1 2 420.491 0.684 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC000496932464 1078095098 /nfs/dbraw/zinc/09/50/98/1078095098.db2.gz LYCDMUUAYVKXSO-INIZCTEOSA-N 1 2 406.464 0.772 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC000496932464 1078095093 /nfs/dbraw/zinc/09/50/93/1078095093.db2.gz LYCDMUUAYVKXSO-INIZCTEOSA-N 1 2 406.464 0.772 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000496943050 1078096069 /nfs/dbraw/zinc/09/60/69/1078096069.db2.gz AXYUNYBVYKMWRH-INIZCTEOSA-N 1 2 422.507 0.904 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000496943050 1078096064 /nfs/dbraw/zinc/09/60/64/1078096064.db2.gz AXYUNYBVYKMWRH-INIZCTEOSA-N 1 2 422.507 0.904 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1cc(-c2ccccc2)on1 ZINC000496943065 1078095789 /nfs/dbraw/zinc/09/57/89/1078095789.db2.gz BQWJTANOGLMLJB-INIZCTEOSA-N 1 2 402.451 0.223 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1cc(-c2ccccc2)on1 ZINC000496943066 1078094854 /nfs/dbraw/zinc/09/48/54/1078094854.db2.gz BQWJTANOGLMLJB-MRXNPFEDSA-N 1 2 402.451 0.223 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000496943755 1078096149 /nfs/dbraw/zinc/09/61/49/1078096149.db2.gz GTABGICYWZKPNU-LRDDRELGSA-N 1 2 408.480 0.664 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000496943755 1078096144 /nfs/dbraw/zinc/09/61/44/1078096144.db2.gz GTABGICYWZKPNU-LRDDRELGSA-N 1 2 408.480 0.664 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000496943756 1078096101 /nfs/dbraw/zinc/09/61/01/1078096101.db2.gz GTABGICYWZKPNU-WBMJQRKESA-N 1 2 408.480 0.664 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000496943756 1078096096 /nfs/dbraw/zinc/09/60/96/1078096096.db2.gz GTABGICYWZKPNU-WBMJQRKESA-N 1 2 408.480 0.664 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000496944136 1078095985 /nfs/dbraw/zinc/09/59/85/1078095985.db2.gz JNHICVINFNZPPB-KRWDZBQOSA-N 1 2 420.491 0.711 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000496944136 1078095980 /nfs/dbraw/zinc/09/59/80/1078095980.db2.gz JNHICVINFNZPPB-KRWDZBQOSA-N 1 2 420.491 0.711 20 0 HCADLO CN(C[C@H](O)CN1CCOCC1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000496944934 1078096044 /nfs/dbraw/zinc/09/60/44/1078096044.db2.gz PUVVKLXELQZMPW-IBGZPJMESA-N 1 2 415.494 0.677 20 0 HCADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000496945135 1078096012 /nfs/dbraw/zinc/09/60/12/1078096012.db2.gz PUVVKLXELQZMPW-LJQANCHMSA-N 1 2 415.494 0.677 20 0 HCADLO COc1cc(OC)c(OC)c2[nH]c(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc21 ZINC000496946325 1078096027 /nfs/dbraw/zinc/09/60/27/1078096027.db2.gz YGBAARDMCXDJLB-CYBMUJFWSA-N 1 2 407.467 0.959 20 0 HCADLO COc1cc(OC)c(OC)c2[nH]c(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc21 ZINC000496946326 1078095945 /nfs/dbraw/zinc/09/59/45/1078095945.db2.gz YGBAARDMCXDJLB-ZDUSSCGKSA-N 1 2 407.467 0.959 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000496954292 1078096655 /nfs/dbraw/zinc/09/66/55/1078096655.db2.gz AJBJKNAWUQYHGK-INIZCTEOSA-N 1 2 406.464 0.612 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000496954292 1078096648 /nfs/dbraw/zinc/09/66/48/1078096648.db2.gz AJBJKNAWUQYHGK-INIZCTEOSA-N 1 2 406.464 0.612 20 0 HCADLO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc12 ZINC000496954297 1078096478 /nfs/dbraw/zinc/09/64/78/1078096478.db2.gz AJIIAJXHAJYBEC-KBPBESRZSA-N 1 2 423.539 0.213 20 0 HCADLO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc12 ZINC000496954304 1078096519 /nfs/dbraw/zinc/09/65/19/1078096519.db2.gz AJIIAJXHAJYBEC-KGLIPLIRSA-N 1 2 423.539 0.213 20 0 HCADLO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc12 ZINC000496954308 1078096584 /nfs/dbraw/zinc/09/65/84/1078096584.db2.gz AJIIAJXHAJYBEC-UONOGXRCSA-N 1 2 423.539 0.213 20 0 HCADLO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc12 ZINC000496954310 1078096461 /nfs/dbraw/zinc/09/64/61/1078096461.db2.gz AJIIAJXHAJYBEC-ZIAGYGMSSA-N 1 2 423.539 0.213 20 0 HCADLO COc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1OCC(=O)NC(C)C ZINC000496955954 1078096625 /nfs/dbraw/zinc/09/66/25/1078096625.db2.gz MOASNMFIWKWTKI-KRWDZBQOSA-N 1 2 423.510 0.364 20 0 HCADLO COc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1OCC(=O)NC(C)C ZINC000496955955 1078097031 /nfs/dbraw/zinc/09/70/31/1078097031.db2.gz MOASNMFIWKWTKI-QGZVFWFLSA-N 1 2 423.510 0.364 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000496955969 1078096887 /nfs/dbraw/zinc/09/68/87/1078096887.db2.gz MSNWUUWSXADRGW-HNNXBMFYSA-N 1 2 419.931 0.160 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000496955970 1078096916 /nfs/dbraw/zinc/09/69/16/1078096916.db2.gz MSNWUUWSXADRGW-OAHLLOKOSA-N 1 2 419.931 0.160 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000496956331 1078096505 /nfs/dbraw/zinc/09/65/05/1078096505.db2.gz PGJHJSQHAQRKDY-NSHDSACASA-N 1 2 409.328 0.918 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000496956331 1078096500 /nfs/dbraw/zinc/09/65/00/1078096500.db2.gz PGJHJSQHAQRKDY-NSHDSACASA-N 1 2 409.328 0.918 20 0 HCADLO CC(C)CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000496956366 1078096860 /nfs/dbraw/zinc/09/68/60/1078096860.db2.gz PJTAHVMJQQJEKA-KRWDZBQOSA-N 1 2 413.540 0.386 20 0 HCADLO CC(C)CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000496956368 1078096776 /nfs/dbraw/zinc/09/67/76/1078096776.db2.gz PJTAHVMJQQJEKA-QGZVFWFLSA-N 1 2 413.540 0.386 20 0 HCADLO COc1ccc(-c2nnc(SCC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)o2)cc1 ZINC000496956484 1078096845 /nfs/dbraw/zinc/09/68/45/1078096845.db2.gz QHSWGKKLPUTZAI-HNNXBMFYSA-N 1 2 422.507 0.989 20 0 HCADLO COc1ccc(-c2nnc(SCC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)o2)cc1 ZINC000496956493 1078096829 /nfs/dbraw/zinc/09/68/29/1078096829.db2.gz QHSWGKKLPUTZAI-OAHLLOKOSA-N 1 2 422.507 0.989 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000496956772 1078096934 /nfs/dbraw/zinc/09/69/34/1078096934.db2.gz RRHYEJBTWHGMHG-VIFPVBQESA-N 1 2 406.873 0.303 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC000496957314 1078096967 /nfs/dbraw/zinc/09/69/67/1078096967.db2.gz URRVEXSINNBEKM-PXAZEXFGSA-N 1 2 416.434 0.680 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC000496957314 1078096961 /nfs/dbraw/zinc/09/69/61/1078096961.db2.gz URRVEXSINNBEKM-PXAZEXFGSA-N 1 2 416.434 0.680 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC000496957315 1078096812 /nfs/dbraw/zinc/09/68/12/1078096812.db2.gz URRVEXSINNBEKM-SJCJKPOMSA-N 1 2 416.434 0.680 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC000496957315 1078096806 /nfs/dbraw/zinc/09/68/06/1078096806.db2.gz URRVEXSINNBEKM-SJCJKPOMSA-N 1 2 416.434 0.680 20 0 HCADLO CSc1cccc(N2C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000496957819 1078096976 /nfs/dbraw/zinc/09/69/76/1078096976.db2.gz WKEHZIYBIOOTEU-DOTOQJQBSA-N 1 2 407.536 0.913 20 0 HCADLO CSc1cccc(N2C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000496957820 1078096761 /nfs/dbraw/zinc/09/67/61/1078096761.db2.gz WKEHZIYBIOOTEU-NVXWUHKLSA-N 1 2 407.536 0.913 20 0 HCADLO CSc1cccc(N2C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000496957821 1078096987 /nfs/dbraw/zinc/09/69/87/1078096987.db2.gz WKEHZIYBIOOTEU-RDJZCZTQSA-N 1 2 407.536 0.913 20 0 HCADLO CSc1cccc(N2C[C@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000496957822 1078097042 /nfs/dbraw/zinc/09/70/42/1078097042.db2.gz WKEHZIYBIOOTEU-WBVHZDCISA-N 1 2 407.536 0.913 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000496958316 1078097307 /nfs/dbraw/zinc/09/73/07/1078097307.db2.gz YZQVNHVPIQGMBC-MOPGFXCFSA-N 1 2 415.490 0.772 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000496958320 1078097221 /nfs/dbraw/zinc/09/72/21/1078097221.db2.gz YZQVNHVPIQGMBC-OALUTQOASA-N 1 2 415.490 0.772 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000496958321 1078097152 /nfs/dbraw/zinc/09/71/52/1078097152.db2.gz YZQVNHVPIQGMBC-RBUKOAKNSA-N 1 2 415.490 0.772 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000496958323 1078097295 /nfs/dbraw/zinc/09/72/95/1078097295.db2.gz YZQVNHVPIQGMBC-RTBURBONSA-N 1 2 415.490 0.772 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(CCO[C@@H]2CCCCO2)c1C ZINC000496970399 1078097730 /nfs/dbraw/zinc/09/77/30/1078097730.db2.gz BROKSSPJXLTWHB-DLBZAZTESA-N 1 2 405.455 0.972 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(CCO[C@@H]2CCCCO2)c1C ZINC000496970399 1078097721 /nfs/dbraw/zinc/09/77/21/1078097721.db2.gz BROKSSPJXLTWHB-DLBZAZTESA-N 1 2 405.455 0.972 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(CCO[C@H]2CCCCO2)c1C ZINC000496970400 1078097901 /nfs/dbraw/zinc/09/79/01/1078097901.db2.gz BROKSSPJXLTWHB-IRXDYDNUSA-N 1 2 405.455 0.972 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(CCO[C@H]2CCCCO2)c1C ZINC000496970400 1078097893 /nfs/dbraw/zinc/09/78/93/1078097893.db2.gz BROKSSPJXLTWHB-IRXDYDNUSA-N 1 2 405.455 0.972 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000496970414 1078097853 /nfs/dbraw/zinc/09/78/53/1078097853.db2.gz CNCAMVDVJQUUFX-DJJJIMSYSA-N 1 2 405.455 0.501 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000496970414 1078097846 /nfs/dbraw/zinc/09/78/46/1078097846.db2.gz CNCAMVDVJQUUFX-DJJJIMSYSA-N 1 2 405.455 0.501 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000496970415 1078097779 /nfs/dbraw/zinc/09/77/79/1078097779.db2.gz CNCAMVDVJQUUFX-ORAYPTAESA-N 1 2 405.455 0.501 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000496970415 1078097773 /nfs/dbraw/zinc/09/77/73/1078097773.db2.gz CNCAMVDVJQUUFX-ORAYPTAESA-N 1 2 405.455 0.501 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000496970416 1078097662 /nfs/dbraw/zinc/09/76/62/1078097662.db2.gz CNSOYMQYWGKEMS-ZDUSSCGKSA-N 1 2 423.227 0.919 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000496970416 1078097656 /nfs/dbraw/zinc/09/76/56/1078097656.db2.gz CNSOYMQYWGKEMS-ZDUSSCGKSA-N 1 2 423.227 0.919 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cncc(I)c1 ZINC000496971189 1078097472 /nfs/dbraw/zinc/09/74/72/1078097472.db2.gz NQDWHJXCBGFCCY-NSHDSACASA-N 1 2 400.176 0.923 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cncc(I)c1 ZINC000496971189 1078097469 /nfs/dbraw/zinc/09/74/69/1078097469.db2.gz NQDWHJXCBGFCCY-NSHDSACASA-N 1 2 400.176 0.923 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)c1cc(C)ccc1C ZINC000496971440 1078097692 /nfs/dbraw/zinc/09/76/92/1078097692.db2.gz VWARBCQMQYWFEW-HNNXBMFYSA-N 1 2 408.480 0.595 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)c1cc(C)ccc1C ZINC000496971440 1078097687 /nfs/dbraw/zinc/09/76/87/1078097687.db2.gz VWARBCQMQYWFEW-HNNXBMFYSA-N 1 2 408.480 0.595 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000496986206 1078109466 /nfs/dbraw/zinc/10/94/66/1078109466.db2.gz ANOAFVBJNRDRDD-INIZCTEOSA-N 1 2 417.503 0.036 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000496986287 1078109799 /nfs/dbraw/zinc/10/97/99/1078109799.db2.gz ANOAFVBJNRDRDD-MRXNPFEDSA-N 1 2 417.503 0.036 20 0 HCADLO COc1ccc(C(=O)N[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000496986301 1078109489 /nfs/dbraw/zinc/10/94/89/1078109489.db2.gz AQTTYFGQAYTKIE-HKUYNNGSSA-N 1 2 407.511 0.601 20 0 HCADLO COc1ccc(C(=O)N[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000496986303 1078109670 /nfs/dbraw/zinc/10/96/70/1078109670.db2.gz AQTTYFGQAYTKIE-IEBWSBKVSA-N 1 2 407.511 0.601 20 0 HCADLO COc1ccc(C(=O)N[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000496986305 1078109358 /nfs/dbraw/zinc/10/93/58/1078109358.db2.gz AQTTYFGQAYTKIE-MJGOQNOKSA-N 1 2 407.511 0.601 20 0 HCADLO COc1ccc(C(=O)N[C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000496986307 1078109774 /nfs/dbraw/zinc/10/97/74/1078109774.db2.gz AQTTYFGQAYTKIE-PKOBYXMFSA-N 1 2 407.511 0.601 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000496986353 1078109412 /nfs/dbraw/zinc/10/94/12/1078109412.db2.gz ARXKTHLQBFYWSA-ONUXSRJRSA-N 1 2 407.555 0.861 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000496986378 1078109379 /nfs/dbraw/zinc/10/93/79/1078109379.db2.gz ARXKTHLQBFYWSA-RQJZOYDLSA-N 1 2 407.555 0.861 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000496986482 1078111012 /nfs/dbraw/zinc/11/10/12/1078111012.db2.gz BTSBGZVLHQSWOQ-QAPCUYQASA-N 1 2 414.462 0.928 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000496986482 1078111000 /nfs/dbraw/zinc/11/10/00/1078111000.db2.gz BTSBGZVLHQSWOQ-QAPCUYQASA-N 1 2 414.462 0.928 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000496986483 1078110895 /nfs/dbraw/zinc/11/08/95/1078110895.db2.gz BTSBGZVLHQSWOQ-YJBOKZPZSA-N 1 2 414.462 0.928 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000496986483 1078110894 /nfs/dbraw/zinc/11/08/94/1078110894.db2.gz BTSBGZVLHQSWOQ-YJBOKZPZSA-N 1 2 414.462 0.928 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000496986485 1078111120 /nfs/dbraw/zinc/11/11/20/1078111120.db2.gz BXHNPAZNYVBCBB-LBPRGKRZSA-N 1 2 400.482 0.077 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000496986485 1078111105 /nfs/dbraw/zinc/11/11/05/1078111105.db2.gz BXHNPAZNYVBCBB-LBPRGKRZSA-N 1 2 400.482 0.077 20 0 HCADLO CSc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2=O)cc1 ZINC000496986886 1078110295 /nfs/dbraw/zinc/11/02/95/1078110295.db2.gz DAJTWQNUSCSGSE-DOTOQJQBSA-N 1 2 407.536 0.913 20 0 HCADLO CSc1ccc(N2C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2=O)cc1 ZINC000496986887 1078110509 /nfs/dbraw/zinc/11/05/09/1078110509.db2.gz DAJTWQNUSCSGSE-NVXWUHKLSA-N 1 2 407.536 0.913 20 0 HCADLO CSc1ccc(N2C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2=O)cc1 ZINC000496986888 1078110083 /nfs/dbraw/zinc/11/00/83/1078110083.db2.gz DAJTWQNUSCSGSE-RDJZCZTQSA-N 1 2 407.536 0.913 20 0 HCADLO CSc1ccc(N2C[C@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2=O)cc1 ZINC000496986889 1078110346 /nfs/dbraw/zinc/11/03/46/1078110346.db2.gz DAJTWQNUSCSGSE-WBVHZDCISA-N 1 2 407.536 0.913 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000496987174 1078110536 /nfs/dbraw/zinc/11/05/36/1078110536.db2.gz DYBBFMIMDYETCA-AWEZNQCLSA-N 1 2 412.537 0.141 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000496987185 1078110275 /nfs/dbraw/zinc/11/02/75/1078110275.db2.gz DYBBFMIMDYETCA-CQSZACIVSA-N 1 2 412.537 0.141 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000496987845 1078111387 /nfs/dbraw/zinc/11/13/87/1078111387.db2.gz JEWXYOPSVAHMOM-HNNXBMFYSA-N 1 2 412.443 0.508 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000496987845 1078111372 /nfs/dbraw/zinc/11/13/72/1078111372.db2.gz JEWXYOPSVAHMOM-HNNXBMFYSA-N 1 2 412.443 0.508 20 0 HCADLO COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CCC(=O)N2C)cc1 ZINC000496988047 1078111445 /nfs/dbraw/zinc/11/14/45/1078111445.db2.gz KKGQFWSACLGVRC-FBBABVLZSA-N 1 2 419.522 0.756 20 0 HCADLO COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CCC(=O)N2C)cc1 ZINC000496988048 1078111817 /nfs/dbraw/zinc/11/18/17/1078111817.db2.gz KKGQFWSACLGVRC-HFSMHLIXSA-N 1 2 419.522 0.756 20 0 HCADLO COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CCC(=O)N2C)cc1 ZINC000496988049 1078111604 /nfs/dbraw/zinc/11/16/04/1078111604.db2.gz KKGQFWSACLGVRC-SLYNCCJLSA-N 1 2 419.522 0.756 20 0 HCADLO COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CCC(=O)N2C)cc1 ZINC000496988050 1078111581 /nfs/dbraw/zinc/11/15/81/1078111581.db2.gz KKGQFWSACLGVRC-YFVAEKQCSA-N 1 2 419.522 0.756 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000496988137 1078111472 /nfs/dbraw/zinc/11/14/72/1078111472.db2.gz LLRWUVIUHDRFAH-CYBMUJFWSA-N 1 2 405.904 0.477 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000496988139 1078111620 /nfs/dbraw/zinc/11/16/20/1078111620.db2.gz LLRWUVIUHDRFAH-ZDUSSCGKSA-N 1 2 405.904 0.477 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000496988417 1078112752 /nfs/dbraw/zinc/11/27/52/1078112752.db2.gz MMIKYQKWBNMDAU-GFCCVEGCSA-N 1 2 401.257 0.943 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000496988418 1078112981 /nfs/dbraw/zinc/11/29/81/1078112981.db2.gz MMIKYQKWBNMDAU-LBPRGKRZSA-N 1 2 401.257 0.943 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000496988636 1078112503 /nfs/dbraw/zinc/11/25/03/1078112503.db2.gz OVJZJXFWLQINHO-CYBMUJFWSA-N 1 2 403.401 0.587 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000496988637 1078112960 /nfs/dbraw/zinc/11/29/60/1078112960.db2.gz OVJZJXFWLQINHO-ZDUSSCGKSA-N 1 2 403.401 0.587 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCn1cc(Br)ccc1=O ZINC000496988651 1078112878 /nfs/dbraw/zinc/11/28/78/1078112878.db2.gz PEXDXJRTHWDGCQ-AWEZNQCLSA-N 1 2 402.289 0.152 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCn1cc(Br)ccc1=O ZINC000496988652 1078112663 /nfs/dbraw/zinc/11/26/63/1078112663.db2.gz PEXDXJRTHWDGCQ-CQSZACIVSA-N 1 2 402.289 0.152 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000496988915 1078112477 /nfs/dbraw/zinc/11/24/77/1078112477.db2.gz QZSHVRHVSBLVPP-DZGCQCFKSA-N 1 2 419.931 0.158 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000496988916 1078112317 /nfs/dbraw/zinc/11/23/17/1078112317.db2.gz QZSHVRHVSBLVPP-ZFWWWQNUSA-N 1 2 419.931 0.158 20 0 HCADLO Cc1c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000496988935 1078112238 /nfs/dbraw/zinc/11/22/38/1078112238.db2.gz RFTQUHJXZUCBAD-INIZCTEOSA-N 1 2 417.466 0.112 20 0 HCADLO Cc1c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000496988936 1078112177 /nfs/dbraw/zinc/11/21/77/1078112177.db2.gz RFTQUHJXZUCBAD-MRXNPFEDSA-N 1 2 417.466 0.112 20 0 HCADLO Cc1c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nnn1-c1ccc2ncccc2c1 ZINC000496988991 1078112435 /nfs/dbraw/zinc/11/24/35/1078112435.db2.gz SFCWFXFQFKWZCP-GOSISDBHSA-N 1 2 410.478 0.889 20 0 HCADLO Cc1c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nnn1-c1ccc2ncccc2c1 ZINC000496988992 1078112521 /nfs/dbraw/zinc/11/25/21/1078112521.db2.gz SFCWFXFQFKWZCP-SFHVURJKSA-N 1 2 410.478 0.889 20 0 HCADLO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000496989138 1078112136 /nfs/dbraw/zinc/11/21/36/1078112136.db2.gz WGOYYRQPJDDXRZ-KRWDZBQOSA-N 1 2 413.540 0.123 20 0 HCADLO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000496989139 1078112280 /nfs/dbraw/zinc/11/22/80/1078112280.db2.gz WGOYYRQPJDDXRZ-QGZVFWFLSA-N 1 2 413.540 0.123 20 0 HCADLO COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC(=O)N2C)cc1 ZINC000496989148 1078112068 /nfs/dbraw/zinc/11/20/68/1078112068.db2.gz WSKUEEJWVDNHML-ILZDJORESA-N 1 2 405.495 0.366 20 0 HCADLO COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC(=O)N2C)cc1 ZINC000496989149 1078112456 /nfs/dbraw/zinc/11/24/56/1078112456.db2.gz WSKUEEJWVDNHML-IMFGXOCKSA-N 1 2 405.495 0.366 20 0 HCADLO COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC(=O)N2C)cc1 ZINC000496989150 1078112393 /nfs/dbraw/zinc/11/23/93/1078112393.db2.gz WSKUEEJWVDNHML-XKGZKEIXSA-N 1 2 405.495 0.366 20 0 HCADLO COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC(=O)N2C)cc1 ZINC000496989151 1078112107 /nfs/dbraw/zinc/11/21/07/1078112107.db2.gz WSKUEEJWVDNHML-YVWKXTFCSA-N 1 2 405.495 0.366 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000496989292 1078111307 /nfs/dbraw/zinc/11/13/07/1078111307.db2.gz ZPXLOKAXEOKUBU-CABCVRRESA-N 1 2 414.418 0.434 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000496989292 1078111300 /nfs/dbraw/zinc/11/13/00/1078111300.db2.gz ZPXLOKAXEOKUBU-CABCVRRESA-N 1 2 414.418 0.434 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000496989293 1078111782 /nfs/dbraw/zinc/11/17/82/1078111782.db2.gz ZPXLOKAXEOKUBU-GJZGRUSLSA-N 1 2 414.418 0.434 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000496989293 1078111776 /nfs/dbraw/zinc/11/17/76/1078111776.db2.gz ZPXLOKAXEOKUBU-GJZGRUSLSA-N 1 2 414.418 0.434 20 0 HCADLO CCOc1ccc(C(=O)N[C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000497002568 1078112928 /nfs/dbraw/zinc/11/29/28/1078112928.db2.gz CPWDFOBFUCSWDG-AZUAARDMSA-N 1 2 421.538 0.991 20 0 HCADLO CCOc1ccc(C(=O)N[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000497002569 1078112998 /nfs/dbraw/zinc/11/29/98/1078112998.db2.gz CPWDFOBFUCSWDG-ICSRJNTNSA-N 1 2 421.538 0.991 20 0 HCADLO CCOc1ccc(C(=O)N[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000497002570 1078113036 /nfs/dbraw/zinc/11/30/36/1078113036.db2.gz CPWDFOBFUCSWDG-QUCCMNQESA-N 1 2 421.538 0.991 20 0 HCADLO CCOc1ccc(C(=O)N[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000497002571 1078112840 /nfs/dbraw/zinc/11/28/40/1078112840.db2.gz CPWDFOBFUCSWDG-UYAOXDASSA-N 1 2 421.538 0.991 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000497003062 1078116686 /nfs/dbraw/zinc/11/66/86/1078116686.db2.gz FOFIEEXCTXLABT-INIZCTEOSA-N 1 2 402.455 0.569 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000497003062 1078116679 /nfs/dbraw/zinc/11/66/79/1078116679.db2.gz FOFIEEXCTXLABT-INIZCTEOSA-N 1 2 402.455 0.569 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000497003098 1078116557 /nfs/dbraw/zinc/11/65/57/1078116557.db2.gz FRCFXYZBBFMGIR-INIZCTEOSA-N 1 2 408.480 0.858 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000497003098 1078116548 /nfs/dbraw/zinc/11/65/48/1078116548.db2.gz FRCFXYZBBFMGIR-INIZCTEOSA-N 1 2 408.480 0.858 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000497003221 1078116404 /nfs/dbraw/zinc/11/64/04/1078116404.db2.gz GUHRUOWKTNEXNC-KRWDZBQOSA-N 1 2 411.524 0.140 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000497003222 1078116262 /nfs/dbraw/zinc/11/62/62/1078116262.db2.gz GUHRUOWKTNEXNC-QGZVFWFLSA-N 1 2 411.524 0.140 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000497003240 1078116616 /nfs/dbraw/zinc/11/66/16/1078116616.db2.gz HLDSZHKBPSFYOX-CYBMUJFWSA-N 1 2 403.501 0.122 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000497003241 1078116341 /nfs/dbraw/zinc/11/63/41/1078116341.db2.gz HLDSZHKBPSFYOX-ZDUSSCGKSA-N 1 2 403.501 0.122 20 0 HCADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497003867 1078113794 /nfs/dbraw/zinc/11/37/94/1078113794.db2.gz KSWJNKSXVIODFY-HKUYNNGSSA-N 1 2 419.522 0.841 20 0 HCADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497003869 1078113671 /nfs/dbraw/zinc/11/36/71/1078113671.db2.gz KSWJNKSXVIODFY-IEBWSBKVSA-N 1 2 419.522 0.841 20 0 HCADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497003870 1078113715 /nfs/dbraw/zinc/11/37/15/1078113715.db2.gz KSWJNKSXVIODFY-MJGOQNOKSA-N 1 2 419.522 0.841 20 0 HCADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497003871 1078113441 /nfs/dbraw/zinc/11/34/41/1078113441.db2.gz KSWJNKSXVIODFY-PKOBYXMFSA-N 1 2 419.522 0.841 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000497004225 1078112913 /nfs/dbraw/zinc/11/29/13/1078112913.db2.gz KXOJVDBZLKAJOH-KRWDZBQOSA-N 1 2 411.524 0.236 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000497004247 1078113074 /nfs/dbraw/zinc/11/30/74/1078113074.db2.gz KXOJVDBZLKAJOH-QGZVFWFLSA-N 1 2 411.524 0.236 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000497004310 1078112935 /nfs/dbraw/zinc/11/29/35/1078112935.db2.gz LDMTYPXFGKGRJI-GOSISDBHSA-N 1 2 407.515 0.097 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000497004322 1078113596 /nfs/dbraw/zinc/11/35/96/1078113596.db2.gz LDMTYPXFGKGRJI-SFHVURJKSA-N 1 2 407.515 0.097 20 0 HCADLO CCOc1ccccc1C(=O)N[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C(C)C ZINC000497004350 1078113499 /nfs/dbraw/zinc/11/34/99/1078113499.db2.gz LLLUETQXGZPCNR-FXAWDEMLSA-N 1 2 421.538 0.991 20 0 HCADLO CCOc1ccccc1C(=O)N[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C(C)C ZINC000497004351 1078113848 /nfs/dbraw/zinc/11/38/48/1078113848.db2.gz LLLUETQXGZPCNR-PXNSSMCTSA-N 1 2 421.538 0.991 20 0 HCADLO CCOc1ccccc1C(=O)N[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C(C)C ZINC000497004352 1078113554 /nfs/dbraw/zinc/11/35/54/1078113554.db2.gz LLLUETQXGZPCNR-XLIONFOSSA-N 1 2 421.538 0.991 20 0 HCADLO CCOc1ccccc1C(=O)N[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C(C)C ZINC000497004354 1078113452 /nfs/dbraw/zinc/11/34/52/1078113452.db2.gz LLLUETQXGZPCNR-YLJYHZDGSA-N 1 2 421.538 0.991 20 0 HCADLO CN(CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Br)o1 ZINC000497004450 1078114689 /nfs/dbraw/zinc/11/46/89/1078114689.db2.gz LQQNAQNSIXEVCP-GFCCVEGCSA-N 1 2 418.288 0.266 20 0 HCADLO CN(CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Br)o1 ZINC000497004454 1078114787 /nfs/dbraw/zinc/11/47/87/1078114787.db2.gz LQQNAQNSIXEVCP-LBPRGKRZSA-N 1 2 418.288 0.266 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000497004971 1078114061 /nfs/dbraw/zinc/11/40/61/1078114061.db2.gz OVZMIULIIHNSTP-CYBMUJFWSA-N 1 2 404.294 0.875 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000497004972 1078114193 /nfs/dbraw/zinc/11/41/93/1078114193.db2.gz OVZMIULIIHNSTP-ZDUSSCGKSA-N 1 2 404.294 0.875 20 0 HCADLO Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)c1 ZINC000497004994 1078114299 /nfs/dbraw/zinc/11/42/99/1078114299.db2.gz PGKXBQANIIOJRK-MSOLQXFVSA-N 1 2 418.494 0.352 20 0 HCADLO Cc1cccc(N2C(=O)N[C@H](CCC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)c1 ZINC000497004995 1078114036 /nfs/dbraw/zinc/11/40/36/1078114036.db2.gz PGKXBQANIIOJRK-QZTJIDSGSA-N 1 2 418.494 0.352 20 0 HCADLO Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)c1 ZINC000497004996 1078114221 /nfs/dbraw/zinc/11/42/21/1078114221.db2.gz PGKXBQANIIOJRK-ROUUACIJSA-N 1 2 418.494 0.352 20 0 HCADLO Cc1cccc(N2C(=O)N[C@H](CCC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)c1 ZINC000497004997 1078114397 /nfs/dbraw/zinc/11/43/97/1078114397.db2.gz PGKXBQANIIOJRK-ZWKOTPCHSA-N 1 2 418.494 0.352 20 0 HCADLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497005377 1078114378 /nfs/dbraw/zinc/11/43/78/1078114378.db2.gz RPPQZSWRCWIEBF-HNNXBMFYSA-N 1 2 405.499 0.375 20 0 HCADLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497005378 1078114161 /nfs/dbraw/zinc/11/41/61/1078114161.db2.gz RPPQZSWRCWIEBF-OAHLLOKOSA-N 1 2 405.499 0.375 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000497005725 1078114978 /nfs/dbraw/zinc/11/49/78/1078114978.db2.gz VEBUMPOFTLSLJF-KRWDZBQOSA-N 1 2 413.540 0.123 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000497005726 1078115070 /nfs/dbraw/zinc/11/50/70/1078115070.db2.gz VEBUMPOFTLSLJF-QGZVFWFLSA-N 1 2 413.540 0.123 20 0 HCADLO CC(C)Cc1nnc(NC(=O)CCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)s1 ZINC000497005993 1078114715 /nfs/dbraw/zinc/11/47/15/1078114715.db2.gz WPDZCSWMHDVFBS-AWEZNQCLSA-N 1 2 413.544 0.607 20 0 HCADLO CC(C)Cc1nnc(NC(=O)CCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)s1 ZINC000497005994 1078114655 /nfs/dbraw/zinc/11/46/55/1078114655.db2.gz WPDZCSWMHDVFBS-CQSZACIVSA-N 1 2 413.544 0.607 20 0 HCADLO Cc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000497006035 1078114807 /nfs/dbraw/zinc/11/48/07/1078114807.db2.gz YBBTWRAUGHJDOW-KRWDZBQOSA-N 1 2 413.540 0.319 20 0 HCADLO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000497006036 1078114730 /nfs/dbraw/zinc/11/47/30/1078114730.db2.gz YBBTWRAUGHJDOW-QGZVFWFLSA-N 1 2 413.540 0.319 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000497016660 1078117301 /nfs/dbraw/zinc/11/73/01/1078117301.db2.gz BUGDLGXSBZGHGS-AWEZNQCLSA-N 1 2 408.480 0.682 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000497016661 1078116959 /nfs/dbraw/zinc/11/69/59/1078116959.db2.gz BUGDLGXSBZGHGS-CQSZACIVSA-N 1 2 408.480 0.682 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000497017293 1078117078 /nfs/dbraw/zinc/11/70/78/1078117078.db2.gz DEBNZDPTDXCEOI-HNNXBMFYSA-N 1 2 419.931 0.112 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000497017296 1078117405 /nfs/dbraw/zinc/11/74/05/1078117405.db2.gz DEBNZDPTDXCEOI-OAHLLOKOSA-N 1 2 419.931 0.112 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000497017399 1078116451 /nfs/dbraw/zinc/11/64/51/1078116451.db2.gz DSVOSAVLVRQMDU-ZDUSSCGKSA-N 1 2 400.844 0.949 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000497017399 1078116438 /nfs/dbraw/zinc/11/64/38/1078116438.db2.gz DSVOSAVLVRQMDU-ZDUSSCGKSA-N 1 2 400.844 0.949 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000497017622 1078117259 /nfs/dbraw/zinc/11/72/59/1078117259.db2.gz FMFQVYCHXUVOBW-HNNXBMFYSA-N 1 2 403.435 0.878 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000497017623 1078117027 /nfs/dbraw/zinc/11/70/27/1078117027.db2.gz FMFQVYCHXUVOBW-OAHLLOKOSA-N 1 2 403.435 0.878 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000497017746 1078117270 /nfs/dbraw/zinc/11/72/70/1078117270.db2.gz FXYSPZMSCGHMGT-IBGZPJMESA-N 1 2 404.511 0.296 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000497017748 1078117343 /nfs/dbraw/zinc/11/73/43/1078117343.db2.gz FXYSPZMSCGHMGT-LJQANCHMSA-N 1 2 404.511 0.296 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000497017779 1078117240 /nfs/dbraw/zinc/11/72/40/1078117240.db2.gz GCYRDFWROUNKTB-SFHVURJKSA-N 1 2 413.478 0.739 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000497017779 1078117235 /nfs/dbraw/zinc/11/72/35/1078117235.db2.gz GCYRDFWROUNKTB-SFHVURJKSA-N 1 2 413.478 0.739 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000497018040 1078117160 /nfs/dbraw/zinc/11/71/60/1078117160.db2.gz HQJGTUUWAGYWMB-AWEZNQCLSA-N 1 2 414.871 0.632 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000497018040 1078117143 /nfs/dbraw/zinc/11/71/43/1078117143.db2.gz HQJGTUUWAGYWMB-AWEZNQCLSA-N 1 2 414.871 0.632 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000497018576 1078117952 /nfs/dbraw/zinc/11/79/52/1078117952.db2.gz JQBWNJQEHJCOQT-BZPMIXESSA-N 1 2 405.455 0.357 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000497018576 1078117939 /nfs/dbraw/zinc/11/79/39/1078117939.db2.gz JQBWNJQEHJCOQT-BZPMIXESSA-N 1 2 405.455 0.357 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000497018577 1078117783 /nfs/dbraw/zinc/11/77/83/1078117783.db2.gz JQBWNJQEHJCOQT-MAAUKKLOSA-N 1 2 405.455 0.357 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000497018577 1078117778 /nfs/dbraw/zinc/11/77/78/1078117778.db2.gz JQBWNJQEHJCOQT-MAAUKKLOSA-N 1 2 405.455 0.357 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000497018578 1078118245 /nfs/dbraw/zinc/11/82/45/1078118245.db2.gz JQBWNJQEHJCOQT-OBJOEFQTSA-N 1 2 405.455 0.357 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000497018578 1078118236 /nfs/dbraw/zinc/11/82/36/1078118236.db2.gz JQBWNJQEHJCOQT-OBJOEFQTSA-N 1 2 405.455 0.357 20 0 HCADLO Cc1c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nnn1-c1cccc2ncccc21 ZINC000497018583 1078117901 /nfs/dbraw/zinc/11/79/01/1078117901.db2.gz JZUOQYOBRCDYIA-INIZCTEOSA-N 1 2 410.478 0.889 20 0 HCADLO Cc1c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nnn1-c1cccc2ncccc21 ZINC000497018584 1078117817 /nfs/dbraw/zinc/11/78/17/1078117817.db2.gz JZUOQYOBRCDYIA-MRXNPFEDSA-N 1 2 410.478 0.889 20 0 HCADLO Cc1sc2ncn(CCC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c(=O)c2c1C ZINC000497019121 1078117318 /nfs/dbraw/zinc/11/73/18/1078117318.db2.gz LCEOQVRHAOOSAB-HNNXBMFYSA-N 1 2 408.524 0.616 20 0 HCADLO Cc1sc2ncn(CCC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c(=O)c2c1C ZINC000497019128 1078117212 /nfs/dbraw/zinc/11/72/12/1078117212.db2.gz LCEOQVRHAOOSAB-OAHLLOKOSA-N 1 2 408.524 0.616 20 0 HCADLO C[C@@H]1Cc2cc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)ccc2N1S(C)(=O)=O ZINC000497019263 1078118043 /nfs/dbraw/zinc/11/80/43/1078118043.db2.gz LTZNVHRUOXJPJH-PBHICJAKSA-N 1 2 411.524 0.162 20 0 HCADLO C[C@@H]1Cc2cc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)ccc2N1S(C)(=O)=O ZINC000497019265 1078117751 /nfs/dbraw/zinc/11/77/51/1078117751.db2.gz LTZNVHRUOXJPJH-RHSMWYFYSA-N 1 2 411.524 0.162 20 0 HCADLO C[C@H]1Cc2cc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)ccc2N1S(C)(=O)=O ZINC000497019266 1078117839 /nfs/dbraw/zinc/11/78/39/1078117839.db2.gz LTZNVHRUOXJPJH-WMLDXEAASA-N 1 2 411.524 0.162 20 0 HCADLO C[C@H]1Cc2cc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)ccc2N1S(C)(=O)=O ZINC000497019268 1078117730 /nfs/dbraw/zinc/11/77/30/1078117730.db2.gz LTZNVHRUOXJPJH-YOEHRIQHSA-N 1 2 411.524 0.162 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccccc1I ZINC000497019686 1078118192 /nfs/dbraw/zinc/11/81/92/1078118192.db2.gz MOHQJPQZMHITAF-AWEZNQCLSA-N 1 2 418.275 0.985 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccccc1I ZINC000497019692 1078118146 /nfs/dbraw/zinc/11/81/46/1078118146.db2.gz MOHQJPQZMHITAF-CQSZACIVSA-N 1 2 418.275 0.985 20 0 HCADLO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)c1nnc2n1CCC2 ZINC000497020349 1078117791 /nfs/dbraw/zinc/11/77/91/1078117791.db2.gz UZVOZVWCRNQPBE-HNNXBMFYSA-N 1 2 411.510 0.788 20 0 HCADLO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)c1nnc2n1CCC2 ZINC000497020350 1078117806 /nfs/dbraw/zinc/11/78/06/1078117806.db2.gz UZVOZVWCRNQPBE-OAHLLOKOSA-N 1 2 411.510 0.788 20 0 HCADLO COc1cc(OC)cc(N2C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000497021673 1078118672 /nfs/dbraw/zinc/11/86/72/1078118672.db2.gz SRLPNTCEOKZTLK-DOTOQJQBSA-N 1 2 421.494 0.208 20 0 HCADLO COc1cc(OC)cc(N2C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000497021674 1078118552 /nfs/dbraw/zinc/11/85/52/1078118552.db2.gz SRLPNTCEOKZTLK-NVXWUHKLSA-N 1 2 421.494 0.208 20 0 HCADLO COc1cc(OC)cc(N2C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000497021675 1078118733 /nfs/dbraw/zinc/11/87/33/1078118733.db2.gz SRLPNTCEOKZTLK-RDJZCZTQSA-N 1 2 421.494 0.208 20 0 HCADLO COc1cc(OC)cc(N2C[C@H](C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2=O)c1 ZINC000497021676 1078118721 /nfs/dbraw/zinc/11/87/21/1078118721.db2.gz SRLPNTCEOKZTLK-WBVHZDCISA-N 1 2 421.494 0.208 20 0 HCADLO CCn1c(SCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nnc1-c1ccco1 ZINC000497021743 1078118723 /nfs/dbraw/zinc/11/87/23/1078118723.db2.gz UFTORFKYJPYHPI-AWEZNQCLSA-N 1 2 409.512 0.802 20 0 HCADLO CCn1c(SCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nnc1-c1ccco1 ZINC000497021744 1078118717 /nfs/dbraw/zinc/11/87/17/1078118717.db2.gz UFTORFKYJPYHPI-CQSZACIVSA-N 1 2 409.512 0.802 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000497022962 1078118712 /nfs/dbraw/zinc/11/87/12/1078118712.db2.gz ZZFDCEPEETZDBE-AWEZNQCLSA-N 1 2 409.402 0.247 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000497022962 1078118706 /nfs/dbraw/zinc/11/87/06/1078118706.db2.gz ZZFDCEPEETZDBE-AWEZNQCLSA-N 1 2 409.402 0.247 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000497032560 1078120196 /nfs/dbraw/zinc/12/01/96/1078120196.db2.gz ARSHCUWTBGHFEJ-INIZCTEOSA-N 1 2 408.480 0.595 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000497032560 1078120192 /nfs/dbraw/zinc/12/01/92/1078120192.db2.gz ARSHCUWTBGHFEJ-INIZCTEOSA-N 1 2 408.480 0.595 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C ZINC000497033775 1078121028 /nfs/dbraw/zinc/12/10/28/1078121028.db2.gz GNJDWKVOXWYTIP-AWEZNQCLSA-N 1 2 412.406 0.584 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C ZINC000497033775 1078121022 /nfs/dbraw/zinc/12/10/22/1078121022.db2.gz GNJDWKVOXWYTIP-AWEZNQCLSA-N 1 2 412.406 0.584 20 0 HCADLO C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000497033839 1078120891 /nfs/dbraw/zinc/12/08/91/1078120891.db2.gz GSQFBRTUCYJTAE-DOTOQJQBSA-N 1 2 413.540 0.192 20 0 HCADLO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000497033845 1078121052 /nfs/dbraw/zinc/12/10/52/1078121052.db2.gz GSQFBRTUCYJTAE-NVXWUHKLSA-N 1 2 413.540 0.192 20 0 HCADLO C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000497033846 1078120966 /nfs/dbraw/zinc/12/09/66/1078120966.db2.gz GSQFBRTUCYJTAE-RDJZCZTQSA-N 1 2 413.540 0.192 20 0 HCADLO C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000497033849 1078120921 /nfs/dbraw/zinc/12/09/21/1078120921.db2.gz GSQFBRTUCYJTAE-WBVHZDCISA-N 1 2 413.540 0.192 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000497033911 1078120766 /nfs/dbraw/zinc/12/07/66/1078120766.db2.gz HMBKGESQLXXGMD-DLBZAZTESA-N 1 2 419.478 0.171 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000497033912 1078120951 /nfs/dbraw/zinc/12/09/51/1078120951.db2.gz HMBKGESQLXXGMD-IAGOWNOFSA-N 1 2 419.478 0.171 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000497033913 1078121005 /nfs/dbraw/zinc/12/10/05/1078121005.db2.gz HMBKGESQLXXGMD-IRXDYDNUSA-N 1 2 419.478 0.171 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000497033914 1078121073 /nfs/dbraw/zinc/12/10/73/1078121073.db2.gz HMBKGESQLXXGMD-SJORKVTESA-N 1 2 419.478 0.171 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000497034589 1078120850 /nfs/dbraw/zinc/12/08/50/1078120850.db2.gz KIMOWNBENCHLCW-AWEZNQCLSA-N 1 2 416.406 0.257 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000497034589 1078120835 /nfs/dbraw/zinc/12/08/35/1078120835.db2.gz KIMOWNBENCHLCW-AWEZNQCLSA-N 1 2 416.406 0.257 20 0 HCADLO COc1cc2c(cc1OC)CN(CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)CC2 ZINC000497036262 1078120683 /nfs/dbraw/zinc/12/06/83/1078120683.db2.gz RNCXSGNNBRDCFI-GOSISDBHSA-N 1 2 407.511 0.213 20 0 HCADLO COc1cc2c(cc1OC)CN(CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)CC2 ZINC000497036263 1078120983 /nfs/dbraw/zinc/12/09/83/1078120983.db2.gz RNCXSGNNBRDCFI-SFHVURJKSA-N 1 2 407.511 0.213 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000497036336 1078121037 /nfs/dbraw/zinc/12/10/37/1078121037.db2.gz SGXPJFFDHNCUMM-FQEVSTJZSA-N 1 2 418.538 0.267 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000497036337 1078120909 /nfs/dbraw/zinc/12/09/09/1078120909.db2.gz SGXPJFFDHNCUMM-HXUWFJFHSA-N 1 2 418.538 0.267 20 0 HCADLO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497038121 1078121694 /nfs/dbraw/zinc/12/16/94/1078121694.db2.gz ZFMPRHKMSQVPEI-FXAWDEMLSA-N 1 2 420.485 0.506 20 0 HCADLO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497038122 1078121524 /nfs/dbraw/zinc/12/15/24/1078121524.db2.gz ZFMPRHKMSQVPEI-PXNSSMCTSA-N 1 2 420.485 0.506 20 0 HCADLO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497038123 1078121427 /nfs/dbraw/zinc/12/14/27/1078121427.db2.gz ZFMPRHKMSQVPEI-XLIONFOSSA-N 1 2 420.485 0.506 20 0 HCADLO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497038124 1078121409 /nfs/dbraw/zinc/12/14/09/1078121409.db2.gz ZFMPRHKMSQVPEI-YLJYHZDGSA-N 1 2 420.485 0.506 20 0 HCADLO CCOc1ccccc1[C@H](CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)NC(C)=O ZINC000497038185 1078121389 /nfs/dbraw/zinc/12/13/89/1078121389.db2.gz ZKRVIUMKKPUNGN-HKUYNNGSSA-N 1 2 407.511 0.804 20 0 HCADLO CCOc1ccccc1[C@@H](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)NC(C)=O ZINC000497038186 1078121447 /nfs/dbraw/zinc/12/14/47/1078121447.db2.gz ZKRVIUMKKPUNGN-IEBWSBKVSA-N 1 2 407.511 0.804 20 0 HCADLO CCOc1ccccc1[C@H](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)NC(C)=O ZINC000497038187 1078121862 /nfs/dbraw/zinc/12/18/62/1078121862.db2.gz ZKRVIUMKKPUNGN-MJGOQNOKSA-N 1 2 407.511 0.804 20 0 HCADLO CCOc1ccccc1[C@@H](CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)NC(C)=O ZINC000497038188 1078121439 /nfs/dbraw/zinc/12/14/39/1078121439.db2.gz ZKRVIUMKKPUNGN-PKOBYXMFSA-N 1 2 407.511 0.804 20 0 HCADLO CN(C)c1ncc(Br)cc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497038228 1078121801 /nfs/dbraw/zinc/12/18/01/1078121801.db2.gz ZWNLQTROCDRWFW-CYBMUJFWSA-N 1 2 401.305 0.675 20 0 HCADLO CN(C)c1ncc(Br)cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497038230 1078121457 /nfs/dbraw/zinc/12/14/57/1078121457.db2.gz ZWNLQTROCDRWFW-ZDUSSCGKSA-N 1 2 401.305 0.675 20 0 HCADLO COCc1nc2sc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c(C)c2c(OC)n1 ZINC000497048275 1078123610 /nfs/dbraw/zinc/12/36/10/1078123610.db2.gz CLZPNZMIWQJCNA-CYBMUJFWSA-N 1 2 424.523 0.920 20 0 HCADLO COCc1nc2sc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c(C)c2c(OC)n1 ZINC000497048288 1078123665 /nfs/dbraw/zinc/12/36/65/1078123665.db2.gz CLZPNZMIWQJCNA-ZDUSSCGKSA-N 1 2 424.523 0.920 20 0 HCADLO Cc1ccc(-n2cnnc2SCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000497048353 1078123678 /nfs/dbraw/zinc/12/36/78/1078123678.db2.gz CSRXDRFTSQUMKZ-KRWDZBQOSA-N 1 2 405.524 0.819 20 0 HCADLO Cc1ccc(-n2cnnc2SCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000497048358 1078123423 /nfs/dbraw/zinc/12/34/23/1078123423.db2.gz CSRXDRFTSQUMKZ-QGZVFWFLSA-N 1 2 405.524 0.819 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000497048462 1078123366 /nfs/dbraw/zinc/12/33/66/1078123366.db2.gz DFGKPDXMMVXOAE-FOIQADDNSA-N 1 2 410.515 0.029 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000497048465 1078124237 /nfs/dbraw/zinc/12/42/37/1078124237.db2.gz DFGKPDXMMVXOAE-MGPUTAFESA-N 1 2 410.515 0.029 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000497048467 1078124070 /nfs/dbraw/zinc/12/40/70/1078124070.db2.gz DFGKPDXMMVXOAE-QRWLVFNGSA-N 1 2 410.515 0.029 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000497048469 1078123923 /nfs/dbraw/zinc/12/39/23/1078123923.db2.gz DFGKPDXMMVXOAE-YWZLYKJASA-N 1 2 410.515 0.029 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000497048493 1078123952 /nfs/dbraw/zinc/12/39/52/1078123952.db2.gz DLQFWARFXBMWHN-CYBMUJFWSA-N 1 2 414.388 0.446 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000497048496 1078124352 /nfs/dbraw/zinc/12/43/52/1078124352.db2.gz DLQFWARFXBMWHN-ZDUSSCGKSA-N 1 2 414.388 0.446 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1ccccc1OC(F)F ZINC000497048501 1078124305 /nfs/dbraw/zinc/12/43/05/1078124305.db2.gz DNDOJIAPEMRJMH-CYBMUJFWSA-N 1 2 401.410 0.169 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1ccccc1OC(F)F ZINC000497048504 1078124174 /nfs/dbraw/zinc/12/41/74/1078124174.db2.gz DNDOJIAPEMRJMH-ZDUSSCGKSA-N 1 2 401.410 0.169 20 0 HCADLO CCOc1ccc(-n2ncc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c2C)nn1 ZINC000497048853 1078124146 /nfs/dbraw/zinc/12/41/46/1078124146.db2.gz FLQKZMZRWZXDIF-HNNXBMFYSA-N 1 2 404.471 0.135 20 0 HCADLO CCOc1ccc(-n2ncc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c2C)nn1 ZINC000497048854 1078124032 /nfs/dbraw/zinc/12/40/32/1078124032.db2.gz FLQKZMZRWZXDIF-OAHLLOKOSA-N 1 2 404.471 0.135 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000497048885 1078124203 /nfs/dbraw/zinc/12/42/03/1078124203.db2.gz FRVBUNSBMHMTDS-AZUAARDMSA-N 1 2 421.513 0.758 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000497048888 1078123967 /nfs/dbraw/zinc/12/39/67/1078123967.db2.gz FRVBUNSBMHMTDS-ICSRJNTNSA-N 1 2 421.513 0.758 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000497048892 1078123903 /nfs/dbraw/zinc/12/39/03/1078123903.db2.gz FRVBUNSBMHMTDS-QUCCMNQESA-N 1 2 421.513 0.758 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000497048894 1078124275 /nfs/dbraw/zinc/12/42/75/1078124275.db2.gz FRVBUNSBMHMTDS-UYAOXDASSA-N 1 2 421.513 0.758 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000497049589 1078125879 /nfs/dbraw/zinc/12/58/79/1078125879.db2.gz JCQHCIAIXJOCNG-JTQLQIEISA-N 1 2 413.228 0.738 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000497049589 1078125868 /nfs/dbraw/zinc/12/58/68/1078125868.db2.gz JCQHCIAIXJOCNG-JTQLQIEISA-N 1 2 413.228 0.738 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1cccc(I)c1 ZINC000497049610 1078125767 /nfs/dbraw/zinc/12/57/67/1078125767.db2.gz JMQXKWFBAOKUOG-HNNXBMFYSA-N 1 2 418.275 0.985 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1cccc(I)c1 ZINC000497049612 1078125589 /nfs/dbraw/zinc/12/55/89/1078125589.db2.gz JMQXKWFBAOKUOG-OAHLLOKOSA-N 1 2 418.275 0.985 20 0 HCADLO COCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497049659 1078125224 /nfs/dbraw/zinc/12/52/24/1078125224.db2.gz JXTZZVLHIOOPMY-GOSISDBHSA-N 1 2 418.494 0.663 20 0 HCADLO COCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497049662 1078125299 /nfs/dbraw/zinc/12/52/99/1078125299.db2.gz JXTZZVLHIOOPMY-SFHVURJKSA-N 1 2 418.494 0.663 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000497049708 1078125209 /nfs/dbraw/zinc/12/52/09/1078125209.db2.gz KNQBWCLLRTZJAW-KRWDZBQOSA-N 1 2 414.506 0.888 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000497049709 1078125080 /nfs/dbraw/zinc/12/50/80/1078125080.db2.gz KNQBWCLLRTZJAW-QGZVFWFLSA-N 1 2 414.506 0.888 20 0 HCADLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c2)cc1 ZINC000497049966 1078124581 /nfs/dbraw/zinc/12/45/81/1078124581.db2.gz MCBHAVZSPLYPPB-GOSISDBHSA-N 1 2 421.519 0.799 20 0 HCADLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c2)cc1 ZINC000497049967 1078124744 /nfs/dbraw/zinc/12/47/44/1078124744.db2.gz MCBHAVZSPLYPPB-SFHVURJKSA-N 1 2 421.519 0.799 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000497050020 1078124726 /nfs/dbraw/zinc/12/47/26/1078124726.db2.gz MRDBQYIQYDDGDB-MOPGFXCFSA-N 1 2 419.522 0.456 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000497050025 1078124611 /nfs/dbraw/zinc/12/46/11/1078124611.db2.gz MRDBQYIQYDDGDB-OALUTQOASA-N 1 2 419.522 0.456 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000497050026 1078124496 /nfs/dbraw/zinc/12/44/96/1078124496.db2.gz MRDBQYIQYDDGDB-RBUKOAKNSA-N 1 2 419.522 0.456 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000497050028 1078124702 /nfs/dbraw/zinc/12/47/02/1078124702.db2.gz MRDBQYIQYDDGDB-RTBURBONSA-N 1 2 419.522 0.456 20 0 HCADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000497050078 1078124810 /nfs/dbraw/zinc/12/48/10/1078124810.db2.gz NEUCHYDJNYAWEX-KRWDZBQOSA-N 1 2 413.540 0.075 20 0 HCADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000497050079 1078124676 /nfs/dbraw/zinc/12/46/76/1078124676.db2.gz NEUCHYDJNYAWEX-QGZVFWFLSA-N 1 2 413.540 0.075 20 0 HCADLO COc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1OCc1cnn(C)c1 ZINC000497050352 1078124463 /nfs/dbraw/zinc/12/44/63/1078124463.db2.gz QAEYLRVGFJRVBV-GOSISDBHSA-N 1 2 418.494 0.773 20 0 HCADLO COc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1OCc1cnn(C)c1 ZINC000497050354 1078124760 /nfs/dbraw/zinc/12/47/60/1078124760.db2.gz QAEYLRVGFJRVBV-SFHVURJKSA-N 1 2 418.494 0.773 20 0 HCADLO CCc1nc(COc2ccc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2)no1 ZINC000497050586 1078126291 /nfs/dbraw/zinc/12/62/91/1078126291.db2.gz TXLQWUHTWQLWBK-INIZCTEOSA-N 1 2 404.467 0.976 20 0 HCADLO CCc1nc(COc2ccc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2)no1 ZINC000497050587 1078126056 /nfs/dbraw/zinc/12/60/56/1078126056.db2.gz TXLQWUHTWQLWBK-MRXNPFEDSA-N 1 2 404.467 0.976 20 0 HCADLO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497050663 1078125603 /nfs/dbraw/zinc/12/56/03/1078125603.db2.gz UVLGXCWUGQJQCV-GFCCVEGCSA-N 1 2 410.862 0.089 20 0 HCADLO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497050664 1078125568 /nfs/dbraw/zinc/12/55/68/1078125568.db2.gz UVLGXCWUGQJQCV-LBPRGKRZSA-N 1 2 410.862 0.089 20 0 HCADLO CSCC[C@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497050673 1078125548 /nfs/dbraw/zinc/12/55/48/1078125548.db2.gz UXJSWBBUNWIZPA-MSOLQXFVSA-N 1 2 409.552 0.690 20 0 HCADLO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497050674 1078125539 /nfs/dbraw/zinc/12/55/39/1078125539.db2.gz UXJSWBBUNWIZPA-QZTJIDSGSA-N 1 2 409.552 0.690 20 0 HCADLO CSCC[C@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497050675 1078125738 /nfs/dbraw/zinc/12/57/38/1078125738.db2.gz UXJSWBBUNWIZPA-ROUUACIJSA-N 1 2 409.552 0.690 20 0 HCADLO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497050676 1078125804 /nfs/dbraw/zinc/12/58/04/1078125804.db2.gz UXJSWBBUNWIZPA-ZWKOTPCHSA-N 1 2 409.552 0.690 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000497050993 1078125681 /nfs/dbraw/zinc/12/56/81/1078125681.db2.gz YXBKGGRQUUIERG-INIZCTEOSA-N 1 2 408.480 0.548 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000497050993 1078125666 /nfs/dbraw/zinc/12/56/66/1078125666.db2.gz YXBKGGRQUUIERG-INIZCTEOSA-N 1 2 408.480 0.548 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000497063322 1078128006 /nfs/dbraw/zinc/12/80/06/1078128006.db2.gz BMYOGMZQVYAEBO-ABAIWWIYSA-N 1 2 406.464 0.634 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000497063322 1078128002 /nfs/dbraw/zinc/12/80/02/1078128002.db2.gz BMYOGMZQVYAEBO-ABAIWWIYSA-N 1 2 406.464 0.634 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000497063324 1078127793 /nfs/dbraw/zinc/12/77/93/1078127793.db2.gz BMYOGMZQVYAEBO-NHYWBVRUSA-N 1 2 406.464 0.634 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000497063324 1078127776 /nfs/dbraw/zinc/12/77/76/1078127776.db2.gz BMYOGMZQVYAEBO-NHYWBVRUSA-N 1 2 406.464 0.634 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000497063799 1078126188 /nfs/dbraw/zinc/12/61/88/1078126188.db2.gz FBMUYAFYJYQWKC-INIZCTEOSA-N 1 2 406.464 0.708 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000497063799 1078126178 /nfs/dbraw/zinc/12/61/78/1078126178.db2.gz FBMUYAFYJYQWKC-INIZCTEOSA-N 1 2 406.464 0.708 20 0 HCADLO Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497064806 1078126642 /nfs/dbraw/zinc/12/66/42/1078126642.db2.gz IWYZMASIYDYIOQ-KRWDZBQOSA-N 1 2 411.524 0.300 20 0 HCADLO Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497064808 1078126663 /nfs/dbraw/zinc/12/66/63/1078126663.db2.gz IWYZMASIYDYIOQ-QGZVFWFLSA-N 1 2 411.524 0.300 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000497065411 1078126872 /nfs/dbraw/zinc/12/68/72/1078126872.db2.gz LKOPPKIAFUGFAP-PMACEKPBSA-N 1 2 403.523 0.619 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000497065413 1078126614 /nfs/dbraw/zinc/12/66/14/1078126614.db2.gz LKOPPKIAFUGFAP-UXHICEINSA-N 1 2 403.523 0.619 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000497065416 1078126910 /nfs/dbraw/zinc/12/69/10/1078126910.db2.gz LKOPPKIAFUGFAP-VQTJNVASSA-N 1 2 403.523 0.619 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000497065419 1078126574 /nfs/dbraw/zinc/12/65/74/1078126574.db2.gz LKOPPKIAFUGFAP-WOJBJXKFSA-N 1 2 403.523 0.619 20 0 HCADLO CCc1ccc(C(=O)N2CCC(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2)o1 ZINC000497065465 1078126803 /nfs/dbraw/zinc/12/68/03/1078126803.db2.gz LVYKZKYGQQIGPJ-KRWDZBQOSA-N 1 2 407.511 0.846 20 0 HCADLO CCc1ccc(C(=O)N2CCC(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2)o1 ZINC000497065466 1078126895 /nfs/dbraw/zinc/12/68/95/1078126895.db2.gz LVYKZKYGQQIGPJ-QGZVFWFLSA-N 1 2 407.511 0.846 20 0 HCADLO COc1nn(C)c2nc(C)c(CCC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c(C)c12 ZINC000497066916 1078127716 /nfs/dbraw/zinc/12/77/16/1078127716.db2.gz SNRSFWIJCDWGNT-INIZCTEOSA-N 1 2 419.526 0.678 20 0 HCADLO COc1nn(C)c2nc(C)c(CCC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c(C)c12 ZINC000497066917 1078127948 /nfs/dbraw/zinc/12/79/48/1078127948.db2.gz SNRSFWIJCDWGNT-MRXNPFEDSA-N 1 2 419.526 0.678 20 0 HCADLO Cc1nnc(SCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n1Cc1ccccc1 ZINC000497067886 1078132511 /nfs/dbraw/zinc/13/25/11/1078132511.db2.gz XFLBBPJLOYLBKM-GOSISDBHSA-N 1 2 419.551 0.878 20 0 HCADLO Cc1nnc(SCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1Cc1ccccc1 ZINC000497067887 1078132667 /nfs/dbraw/zinc/13/26/67/1078132667.db2.gz XFLBBPJLOYLBKM-SFHVURJKSA-N 1 2 419.551 0.878 20 0 HCADLO CCCn1c2ccccc2n(CCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1=O ZINC000497068249 1078132651 /nfs/dbraw/zinc/13/26/51/1078132651.db2.gz YBMAUPHXXSJTCA-KRWDZBQOSA-N 1 2 404.511 0.755 20 0 HCADLO CCCn1c2ccccc2n(CCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1=O ZINC000497068251 1078132478 /nfs/dbraw/zinc/13/24/78/1078132478.db2.gz YBMAUPHXXSJTCA-QGZVFWFLSA-N 1 2 404.511 0.755 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000497262246 1078181355 /nfs/dbraw/zinc/18/13/55/1078181355.db2.gz ORDSMZVSUYJQSB-QZTJIDSGSA-N 1 2 402.495 0.818 20 0 HCADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C[C@@H](C)O1 ZINC000497262772 1078181119 /nfs/dbraw/zinc/18/11/19/1078181119.db2.gz QGQLWBJTQKGFHT-CZAYHTPWSA-N 1 2 416.566 0.880 20 0 HCADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C[C@H](C)O1 ZINC000497262773 1078180938 /nfs/dbraw/zinc/18/09/38/1078180938.db2.gz QGQLWBJTQKGFHT-KIZRIRGWSA-N 1 2 416.566 0.880 20 0 HCADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C[C@H](C)O1 ZINC000497262774 1078180878 /nfs/dbraw/zinc/18/08/78/1078180878.db2.gz QGQLWBJTQKGFHT-NPDDRXJXSA-N 1 2 416.566 0.880 20 0 HCADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C[C@@H](C)O1 ZINC000497262775 1078181250 /nfs/dbraw/zinc/18/12/50/1078181250.db2.gz QGQLWBJTQKGFHT-UGESXGAOSA-N 1 2 416.566 0.880 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccsc1Br ZINC000497321861 1078193130 /nfs/dbraw/zinc/19/31/30/1078193130.db2.gz LXJLKOCBXVKUFZ-GFCCVEGCSA-N 1 2 420.329 0.278 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccsc1Br ZINC000497321863 1078193287 /nfs/dbraw/zinc/19/32/87/1078193287.db2.gz LXJLKOCBXVKUFZ-LBPRGKRZSA-N 1 2 420.329 0.278 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CCOC(C)(C)C2)CC1 ZINC000497332243 1078198415 /nfs/dbraw/zinc/19/84/15/1078198415.db2.gz TYNCOARNHAMOQD-CYBMUJFWSA-N 1 2 401.471 0.086 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CCOC(C)(C)C2)CC1 ZINC000497332244 1078198280 /nfs/dbraw/zinc/19/82/80/1078198280.db2.gz TYNCOARNHAMOQD-ZDUSSCGKSA-N 1 2 401.471 0.086 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497338362 1078200016 /nfs/dbraw/zinc/20/00/16/1078200016.db2.gz OQBBMBHAQCVYNN-AZUAARDMSA-N 1 2 415.538 0.840 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497338363 1078200321 /nfs/dbraw/zinc/20/03/21/1078200321.db2.gz OQBBMBHAQCVYNN-ICSRJNTNSA-N 1 2 415.538 0.840 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497338364 1078200259 /nfs/dbraw/zinc/20/02/59/1078200259.db2.gz OQBBMBHAQCVYNN-QUCCMNQESA-N 1 2 415.538 0.840 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497338365 1078200071 /nfs/dbraw/zinc/20/00/71/1078200071.db2.gz OQBBMBHAQCVYNN-UYAOXDASSA-N 1 2 415.538 0.840 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](CCO)CC3)CC2)cc1 ZINC000497347015 1078206230 /nfs/dbraw/zinc/20/62/30/1078206230.db2.gz GMMFYHIOXCTZMJ-UHFFFAOYSA-N 1 2 423.535 0.426 20 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C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497404741 1078234261 /nfs/dbraw/zinc/23/42/61/1078234261.db2.gz BPPQFKXDVXPNOF-JTQLQIEISA-N 1 2 414.450 0.651 20 0 HCADLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497404742 1078234171 /nfs/dbraw/zinc/23/41/71/1078234171.db2.gz BPPQFKXDVXPNOF-SNVBAGLBSA-N 1 2 414.450 0.651 20 0 HCADLO C[C@@H]1CN(C(=O)C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000497405320 1078234203 /nfs/dbraw/zinc/23/42/03/1078234203.db2.gz IAKRXDDWZQTXCM-BETUJISGSA-N 1 2 415.478 0.911 20 0 HCADLO C[C@@H]1CN(C(=O)C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000497405321 1078234076 /nfs/dbraw/zinc/23/40/76/1078234076.db2.gz IAKRXDDWZQTXCM-CHWSQXEVSA-N 1 2 415.478 0.911 20 0 HCADLO C[C@H]1CN(C(=O)C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000497405322 1078234630 /nfs/dbraw/zinc/23/46/30/1078234630.db2.gz IAKRXDDWZQTXCM-STQMWFEESA-N 1 2 415.478 0.911 20 0 HCADLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497405924 1078234906 /nfs/dbraw/zinc/23/49/06/1078234906.db2.gz LYZRMXQEBPTVBC-LLVKDONJSA-N 1 2 416.466 0.897 20 0 HCADLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497405928 1078235022 /nfs/dbraw/zinc/23/50/22/1078235022.db2.gz LYZRMXQEBPTVBC-NSHDSACASA-N 1 2 416.466 0.897 20 0 HCADLO CCCNC(=O)NC(=O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497407999 1078239068 /nfs/dbraw/zinc/23/90/68/1078239068.db2.gz NSOSQWAAVHPKRN-UHFFFAOYSA-N 1 2 402.439 0.511 20 0 HCADLO CCCCNC(=O)NC(=O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497417317 1078236768 /nfs/dbraw/zinc/23/67/68/1078236768.db2.gz LWOKUHGPGIJXDU-UHFFFAOYSA-N 1 2 416.466 0.901 20 0 HCADLO C[N@H+]1C[C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000497417328 1078236745 /nfs/dbraw/zinc/23/67/45/1078236745.db2.gz MBRVKFITVZQNDA-MSOLQXFVSA-N 1 2 401.488 0.773 20 0 HCADLO C[N@@H+]1C[C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000497417328 1078236733 /nfs/dbraw/zinc/23/67/33/1078236733.db2.gz MBRVKFITVZQNDA-MSOLQXFVSA-N 1 2 401.488 0.773 20 0 HCADLO C[N@H+]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000497417330 1078236907 /nfs/dbraw/zinc/23/69/07/1078236907.db2.gz MBRVKFITVZQNDA-QZTJIDSGSA-N 1 2 401.488 0.773 20 0 HCADLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000497417330 1078236902 /nfs/dbraw/zinc/23/69/02/1078236902.db2.gz MBRVKFITVZQNDA-QZTJIDSGSA-N 1 2 401.488 0.773 20 0 HCADLO C[N@H+]1C[C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@H](c2ccccc2)C1 ZINC000497417332 1078236557 /nfs/dbraw/zinc/23/65/57/1078236557.db2.gz MBRVKFITVZQNDA-ROUUACIJSA-N 1 2 401.488 0.773 20 0 HCADLO C[N@@H+]1C[C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@H](c2ccccc2)C1 ZINC000497417332 1078236549 /nfs/dbraw/zinc/23/65/49/1078236549.db2.gz MBRVKFITVZQNDA-ROUUACIJSA-N 1 2 401.488 0.773 20 0 HCADLO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000497417334 1078236797 /nfs/dbraw/zinc/23/67/97/1078236797.db2.gz MBRVKFITVZQNDA-ZWKOTPCHSA-N 1 2 401.488 0.773 20 0 HCADLO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000497417334 1078236789 /nfs/dbraw/zinc/23/67/89/1078236789.db2.gz MBRVKFITVZQNDA-ZWKOTPCHSA-N 1 2 401.488 0.773 20 0 HCADLO CC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[NH+]1CCOCC1 ZINC000497417563 1078236818 /nfs/dbraw/zinc/23/68/18/1078236818.db2.gz NHUDXYWMEUMWMB-UHFFFAOYSA-N 1 2 416.569 0.593 20 0 HCADLO COc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000497417807 1078236576 /nfs/dbraw/zinc/23/65/76/1078236576.db2.gz OAXUNQIEZCGQIP-UHFFFAOYSA-N 1 2 411.524 0.977 20 0 HCADLO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497424281 1078239517 /nfs/dbraw/zinc/23/95/17/1078239517.db2.gz BJVUEFBLCWDSIZ-UHFFFAOYSA-N 1 2 416.466 0.757 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(=O)[nH]c1=O ZINC000497424993 1078243315 /nfs/dbraw/zinc/24/33/15/1078243315.db2.gz FACAMLGJEWYIAH-CYBMUJFWSA-N 1 2 423.514 0.235 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(=O)[nH]c1=O ZINC000497424993 1078243306 /nfs/dbraw/zinc/24/33/06/1078243306.db2.gz FACAMLGJEWYIAH-CYBMUJFWSA-N 1 2 423.514 0.235 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(=O)[nH]c1=O ZINC000497424996 1078243117 /nfs/dbraw/zinc/24/31/17/1078243117.db2.gz FACAMLGJEWYIAH-ZDUSSCGKSA-N 1 2 423.514 0.235 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(=O)[nH]c1=O ZINC000497424996 1078243112 /nfs/dbraw/zinc/24/31/12/1078243112.db2.gz FACAMLGJEWYIAH-ZDUSSCGKSA-N 1 2 423.514 0.235 20 0 HCADLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000497432819 1078240710 /nfs/dbraw/zinc/24/07/10/1078240710.db2.gz UQKVVXFUSZSHBY-KBPBESRZSA-N 1 2 423.514 0.377 20 0 HCADLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000497432819 1078240703 /nfs/dbraw/zinc/24/07/03/1078240703.db2.gz UQKVVXFUSZSHBY-KBPBESRZSA-N 1 2 423.514 0.377 20 0 HCADLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000497432830 1078240644 /nfs/dbraw/zinc/24/06/44/1078240644.db2.gz UQKVVXFUSZSHBY-KGLIPLIRSA-N 1 2 423.514 0.377 20 0 HCADLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000497432830 1078240636 /nfs/dbraw/zinc/24/06/36/1078240636.db2.gz UQKVVXFUSZSHBY-KGLIPLIRSA-N 1 2 423.514 0.377 20 0 HCADLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000497432835 1078240675 /nfs/dbraw/zinc/24/06/75/1078240675.db2.gz UQKVVXFUSZSHBY-UONOGXRCSA-N 1 2 423.514 0.377 20 0 HCADLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000497432835 1078240669 /nfs/dbraw/zinc/24/06/69/1078240669.db2.gz UQKVVXFUSZSHBY-UONOGXRCSA-N 1 2 423.514 0.377 20 0 HCADLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O)CC2 ZINC000497434621 1078241404 /nfs/dbraw/zinc/24/14/04/1078241404.db2.gz HRDDMTMSGWAXRC-HOTGVXAUSA-N 1 2 406.483 0.346 20 0 HCADLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O)CC2 ZINC000497434621 1078241391 /nfs/dbraw/zinc/24/13/91/1078241391.db2.gz HRDDMTMSGWAXRC-HOTGVXAUSA-N 1 2 406.483 0.346 20 0 HCADLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N1CCC[C@](O)(C(N)=O)C1)CC2 ZINC000497437137 1078242231 /nfs/dbraw/zinc/24/22/31/1078242231.db2.gz JZXAKPVJMQGURP-HXUWFJFHSA-N 1 2 406.483 0.084 20 0 HCADLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N1CCC[C@](O)(C(N)=O)C1)CC2 ZINC000497437137 1078242226 /nfs/dbraw/zinc/24/22/26/1078242226.db2.gz JZXAKPVJMQGURP-HXUWFJFHSA-N 1 2 406.483 0.084 20 0 HCADLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497439679 1078249677 /nfs/dbraw/zinc/24/96/77/1078249677.db2.gz LBLKECHVZJYSEF-JTQLQIEISA-N 1 2 402.439 0.509 20 0 HCADLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497439684 1078249653 /nfs/dbraw/zinc/24/96/53/1078249653.db2.gz LBLKECHVZJYSEF-SNVBAGLBSA-N 1 2 402.439 0.509 20 0 HCADLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497445181 1078246263 /nfs/dbraw/zinc/24/62/63/1078246263.db2.gz SMHOXQFUVQLSSU-UHFFFAOYSA-N 1 2 416.466 0.899 20 0 HCADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000497448354 1078247007 /nfs/dbraw/zinc/24/70/07/1078247007.db2.gz YOPQRKUPUTWMPK-UHFFFAOYSA-N 1 2 401.451 0.570 20 0 HCADLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N1CC[C@H]3[C@@H](C1)NC(=O)N3C)CC2 ZINC000497451021 1078247810 /nfs/dbraw/zinc/24/78/10/1078247810.db2.gz NVSVKOGDKUIYPK-SJORKVTESA-N 1 2 417.510 0.869 20 0 HCADLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N1CC[C@H]3[C@@H](C1)NC(=O)N3C)CC2 ZINC000497451021 1078247799 /nfs/dbraw/zinc/24/77/99/1078247799.db2.gz NVSVKOGDKUIYPK-SJORKVTESA-N 1 2 417.510 0.869 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC000497453431 1078248139 /nfs/dbraw/zinc/24/81/39/1078248139.db2.gz QQCDIYPDZVORAU-UHFFFAOYSA-N 1 2 405.524 0.773 20 0 HCADLO O=C(CC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)N1CCOCC1 ZINC000497459252 1078253492 /nfs/dbraw/zinc/25/34/92/1078253492.db2.gz UINOXWMZLAOYOM-UHFFFAOYSA-N 1 2 407.496 0.118 20 0 HCADLO C[N@H+]1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497465854 1078255548 /nfs/dbraw/zinc/25/55/48/1078255548.db2.gz PSWQQVKUJZRLNS-AEFFLSMTSA-N 1 2 416.494 0.403 20 0 HCADLO C[N@@H+]1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497465854 1078255544 /nfs/dbraw/zinc/25/55/44/1078255544.db2.gz PSWQQVKUJZRLNS-AEFFLSMTSA-N 1 2 416.494 0.403 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000497465869 1078255732 /nfs/dbraw/zinc/25/57/32/1078255732.db2.gz PSWQQVKUJZRLNS-FUHWJXTLSA-N 1 2 416.494 0.403 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000497465869 1078255725 /nfs/dbraw/zinc/25/57/25/1078255725.db2.gz PSWQQVKUJZRLNS-FUHWJXTLSA-N 1 2 416.494 0.403 20 0 HCADLO C[N@H+]1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000497465872 1078256149 /nfs/dbraw/zinc/25/61/49/1078256149.db2.gz PSWQQVKUJZRLNS-SJLPKXTDSA-N 1 2 416.494 0.403 20 0 HCADLO C[N@@H+]1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000497465872 1078256147 /nfs/dbraw/zinc/25/61/47/1078256147.db2.gz PSWQQVKUJZRLNS-SJLPKXTDSA-N 1 2 416.494 0.403 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497465874 1078256065 /nfs/dbraw/zinc/25/60/65/1078256065.db2.gz PSWQQVKUJZRLNS-WMZOPIPTSA-N 1 2 416.494 0.403 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497465874 1078256057 /nfs/dbraw/zinc/25/60/57/1078256057.db2.gz PSWQQVKUJZRLNS-WMZOPIPTSA-N 1 2 416.494 0.403 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468798 1078250555 /nfs/dbraw/zinc/25/05/55/1078250555.db2.gz WOZYOWCFWNSQSZ-DOTOQJQBSA-N 1 2 413.450 0.760 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468798 1078250550 /nfs/dbraw/zinc/25/05/50/1078250550.db2.gz WOZYOWCFWNSQSZ-DOTOQJQBSA-N 1 2 413.450 0.760 20 0 HCADLO C[N@H+]1CC[C@@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468800 1078250516 /nfs/dbraw/zinc/25/05/16/1078250516.db2.gz WOZYOWCFWNSQSZ-NVXWUHKLSA-N 1 2 413.450 0.760 20 0 HCADLO C[N@@H+]1CC[C@@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468800 1078250509 /nfs/dbraw/zinc/25/05/09/1078250509.db2.gz WOZYOWCFWNSQSZ-NVXWUHKLSA-N 1 2 413.450 0.760 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468801 1078250367 /nfs/dbraw/zinc/25/03/67/1078250367.db2.gz WOZYOWCFWNSQSZ-RDJZCZTQSA-N 1 2 413.450 0.760 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468801 1078250360 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ZINC000497480537 1078259978 /nfs/dbraw/zinc/25/99/78/1078259978.db2.gz SRHAZCZSCHMNRK-KRWDZBQOSA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N(CCO)CC1CC1 ZINC000497480538 1078259926 /nfs/dbraw/zinc/25/99/26/1078259926.db2.gz SRHAZCZSCHMNRK-QGZVFWFLSA-N 1 2 404.515 0.696 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N(CCO)CC1CC1 ZINC000497480538 1078259918 /nfs/dbraw/zinc/25/99/18/1078259918.db2.gz SRHAZCZSCHMNRK-QGZVFWFLSA-N 1 2 404.515 0.696 20 0 HCADLO CC(C)c1nc(C2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)no1 ZINC000497482288 1078256317 /nfs/dbraw/zinc/25/63/17/1078256317.db2.gz XXLIZNSXXMYHOY-UHFFFAOYSA-N 1 2 401.533 0.770 20 0 HCADLO CN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCC[C@H]1O ZINC000497482529 1078256439 /nfs/dbraw/zinc/25/64/39/1078256439.db2.gz UOWMEVGCSJCCQH-BRWVUGGUSA-N 1 2 404.515 0.837 20 0 HCADLO CN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCC[C@H]1O ZINC000497482529 1078256434 /nfs/dbraw/zinc/25/64/34/1078256434.db2.gz UOWMEVGCSJCCQH-BRWVUGGUSA-N 1 2 404.515 0.837 20 0 HCADLO CN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCC[C@H]1O ZINC000497482530 1078256458 /nfs/dbraw/zinc/25/64/58/1078256458.db2.gz UOWMEVGCSJCCQH-GVDBMIGSSA-N 1 2 404.515 0.837 20 0 HCADLO CN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCC[C@H]1O ZINC000497482530 1078256451 /nfs/dbraw/zinc/25/64/51/1078256451.db2.gz UOWMEVGCSJCCQH-GVDBMIGSSA-N 1 2 404.515 0.837 20 0 HCADLO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[C@H]1O ZINC000497484733 1078256659 /nfs/dbraw/zinc/25/66/59/1078256659.db2.gz ZXHXXMPTOZXCKC-BRWVUGGUSA-N 1 2 404.515 0.694 20 0 HCADLO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[C@H]1O ZINC000497484733 1078256655 /nfs/dbraw/zinc/25/66/55/1078256655.db2.gz ZXHXXMPTOZXCKC-BRWVUGGUSA-N 1 2 404.515 0.694 20 0 HCADLO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[C@@H]1O ZINC000497484735 1078256732 /nfs/dbraw/zinc/25/67/32/1078256732.db2.gz ZXHXXMPTOZXCKC-IKGGRYGDSA-N 1 2 404.515 0.694 20 0 HCADLO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[C@@H]1O ZINC000497484735 1078256728 /nfs/dbraw/zinc/25/67/28/1078256728.db2.gz ZXHXXMPTOZXCKC-IKGGRYGDSA-N 1 2 404.515 0.694 20 0 HCADLO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[C@H]1O ZINC000497484738 1078256712 /nfs/dbraw/zinc/25/67/12/1078256712.db2.gz ZXHXXMPTOZXCKC-IXDOHACOSA-N 1 2 404.515 0.694 20 0 HCADLO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[C@H]1O ZINC000497484738 1078256709 /nfs/dbraw/zinc/25/67/09/1078256709.db2.gz ZXHXXMPTOZXCKC-IXDOHACOSA-N 1 2 404.515 0.694 20 0 HCADLO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[C@@H]1O ZINC000497484741 1078256803 /nfs/dbraw/zinc/25/68/03/1078256803.db2.gz ZXHXXMPTOZXCKC-ZACQAIPSSA-N 1 2 404.515 0.694 20 0 HCADLO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[C@@H]1O ZINC000497484741 1078256789 /nfs/dbraw/zinc/25/67/89/1078256789.db2.gz ZXHXXMPTOZXCKC-ZACQAIPSSA-N 1 2 404.515 0.694 20 0 HCADLO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000497486898 1078257205 /nfs/dbraw/zinc/25/72/05/1078257205.db2.gz UBDXVGOVHAAKFQ-PBHICJAKSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000497486898 1078257197 /nfs/dbraw/zinc/25/71/97/1078257197.db2.gz UBDXVGOVHAAKFQ-PBHICJAKSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000497486899 1078257070 /nfs/dbraw/zinc/25/70/70/1078257070.db2.gz UBDXVGOVHAAKFQ-RHSMWYFYSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000497486899 1078257065 /nfs/dbraw/zinc/25/70/65/1078257065.db2.gz UBDXVGOVHAAKFQ-RHSMWYFYSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000497486900 1078257015 /nfs/dbraw/zinc/25/70/15/1078257015.db2.gz UBDXVGOVHAAKFQ-WMLDXEAASA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000497486900 1078257010 /nfs/dbraw/zinc/25/70/10/1078257010.db2.gz UBDXVGOVHAAKFQ-WMLDXEAASA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000497486901 1078257498 /nfs/dbraw/zinc/25/74/98/1078257498.db2.gz UBDXVGOVHAAKFQ-YOEHRIQHSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000497486901 1078257494 /nfs/dbraw/zinc/25/74/94/1078257494.db2.gz UBDXVGOVHAAKFQ-YOEHRIQHSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000497488701 1078258016 /nfs/dbraw/zinc/25/80/16/1078258016.db2.gz NNKYFVQKADNDJO-DOTOQJQBSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000497488701 1078258008 /nfs/dbraw/zinc/25/80/08/1078258008.db2.gz NNKYFVQKADNDJO-DOTOQJQBSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000497488703 1078257829 /nfs/dbraw/zinc/25/78/29/1078257829.db2.gz NNKYFVQKADNDJO-NVXWUHKLSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000497488703 1078257826 /nfs/dbraw/zinc/25/78/26/1078257826.db2.gz NNKYFVQKADNDJO-NVXWUHKLSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000497488704 1078257854 /nfs/dbraw/zinc/25/78/54/1078257854.db2.gz NNKYFVQKADNDJO-RDJZCZTQSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000497488704 1078257850 /nfs/dbraw/zinc/25/78/50/1078257850.db2.gz NNKYFVQKADNDJO-RDJZCZTQSA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000497488705 1078257932 /nfs/dbraw/zinc/25/79/32/1078257932.db2.gz NNKYFVQKADNDJO-WBVHZDCISA-N 1 2 413.450 0.538 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000497488705 1078257927 /nfs/dbraw/zinc/25/79/27/1078257927.db2.gz NNKYFVQKADNDJO-WBVHZDCISA-N 1 2 413.450 0.538 20 0 HCADLO COCCCNC(=O)C1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000497492255 1078262894 /nfs/dbraw/zinc/26/28/94/1078262894.db2.gz PNISWYILYCXOLZ-UHFFFAOYSA-N 1 2 423.514 0.235 20 0 HCADLO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000497498848 1078260434 /nfs/dbraw/zinc/26/04/34/1078260434.db2.gz GXNYBOUJNPEGAZ-PBHICJAKSA-N 1 2 401.504 0.966 20 0 HCADLO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000497498850 1078260337 /nfs/dbraw/zinc/26/03/37/1078260337.db2.gz GXNYBOUJNPEGAZ-YOEHRIQHSA-N 1 2 401.504 0.966 20 0 HCADLO CCN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C)CS(C)(=O)=O ZINC000497499782 1078261190 /nfs/dbraw/zinc/26/11/90/1078261190.db2.gz UZMKOSDVRLPCKA-KRWDZBQOSA-N 1 2 411.568 0.890 20 0 HCADLO CCN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H](C)CS(C)(=O)=O ZINC000497499785 1078261170 /nfs/dbraw/zinc/26/11/70/1078261170.db2.gz UZMKOSDVRLPCKA-QGZVFWFLSA-N 1 2 411.568 0.890 20 0 HCADLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497504002 1078264060 /nfs/dbraw/zinc/26/40/60/1078264060.db2.gz WUNZPXXXWOOYDD-GXTWGEPZSA-N 1 2 415.478 0.958 20 0 HCADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497504005 1078264130 /nfs/dbraw/zinc/26/41/30/1078264130.db2.gz WUNZPXXXWOOYDD-JSGCOSHPSA-N 1 2 415.478 0.958 20 0 HCADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497504007 1078264282 /nfs/dbraw/zinc/26/42/82/1078264282.db2.gz WUNZPXXXWOOYDD-OCCSQVGLSA-N 1 2 415.478 0.958 20 0 HCADLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497504010 1078264241 /nfs/dbraw/zinc/26/42/41/1078264241.db2.gz WUNZPXXXWOOYDD-TZMCWYRMSA-N 1 2 415.478 0.958 20 0 HCADLO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cn1 ZINC000497504905 1078262499 /nfs/dbraw/zinc/26/24/99/1078262499.db2.gz GFHABHPRNPHTLH-RBUKOAKNSA-N 1 2 419.526 0.344 20 0 HCADLO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cn1 ZINC000497504905 1078262493 /nfs/dbraw/zinc/26/24/93/1078262493.db2.gz GFHABHPRNPHTLH-RBUKOAKNSA-N 1 2 419.526 0.344 20 0 HCADLO COCCNc1nc(N2CCOC3(CCC3)C2)[nH+]c(N2CCOC3(CCC3)C2)n1 ZINC000497524173 1078268078 /nfs/dbraw/zinc/26/80/78/1078268078.db2.gz UMBRZHQAYVRDAR-UHFFFAOYSA-N 1 2 404.515 0.870 20 0 HCADLO COCCNc1nc(N2CCOC3(CCC3)C2)nc(N2CCOC3(CCC3)C2)[nH+]1 ZINC000497524173 1078268073 /nfs/dbraw/zinc/26/80/73/1078268073.db2.gz UMBRZHQAYVRDAR-UHFFFAOYSA-N 1 2 404.515 0.870 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497544239 1078273156 /nfs/dbraw/zinc/27/31/56/1078273156.db2.gz YAKZISKAAAOYIA-CVEARBPZSA-N 1 2 411.462 0.425 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497544241 1078273167 /nfs/dbraw/zinc/27/31/67/1078273167.db2.gz YAKZISKAAAOYIA-HOTGVXAUSA-N 1 2 411.462 0.425 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497544242 1078273172 /nfs/dbraw/zinc/27/31/72/1078273172.db2.gz YAKZISKAAAOYIA-HZPDHXFCSA-N 1 2 411.462 0.425 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497544245 1078273214 /nfs/dbraw/zinc/27/32/14/1078273214.db2.gz YAKZISKAAAOYIA-JKSUJKDBSA-N 1 2 411.462 0.425 20 0 HCADLO Cc1nc([C@@](C)(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C2CC2)no1 ZINC000497567880 1078278664 /nfs/dbraw/zinc/27/86/64/1078278664.db2.gz NHMMUVAIEGJLHE-JXFKEZNVSA-N 1 2 405.499 0.833 20 0 HCADLO Cc1nc([C@](C)(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C2CC2)no1 ZINC000497567881 1078278775 /nfs/dbraw/zinc/27/87/75/1078278775.db2.gz NHMMUVAIEGJLHE-OXJNMPFZSA-N 1 2 405.499 0.833 20 0 HCADLO Cc1nc([C@](C)(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C2CC2)no1 ZINC000497567882 1078278679 /nfs/dbraw/zinc/27/86/79/1078278679.db2.gz NHMMUVAIEGJLHE-OXQOHEQNSA-N 1 2 405.499 0.833 20 0 HCADLO Cc1nc([C@@](C)(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C2CC2)no1 ZINC000497567883 1078278622 /nfs/dbraw/zinc/27/86/22/1078278622.db2.gz NHMMUVAIEGJLHE-UZLBHIALSA-N 1 2 405.499 0.833 20 0 HCADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000497570734 1078280207 /nfs/dbraw/zinc/28/02/07/1078280207.db2.gz HNTITGLOKCHELK-HKUYNNGSSA-N 1 2 408.543 0.021 20 0 HCADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000497570734 1078280203 /nfs/dbraw/zinc/28/02/03/1078280203.db2.gz HNTITGLOKCHELK-HKUYNNGSSA-N 1 2 408.543 0.021 20 0 HCADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000497570735 1078280345 /nfs/dbraw/zinc/28/03/45/1078280345.db2.gz HNTITGLOKCHELK-IEBWSBKVSA-N 1 2 408.543 0.021 20 0 HCADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000497570735 1078280340 /nfs/dbraw/zinc/28/03/40/1078280340.db2.gz HNTITGLOKCHELK-IEBWSBKVSA-N 1 2 408.543 0.021 20 0 HCADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000497570736 1078280314 /nfs/dbraw/zinc/28/03/14/1078280314.db2.gz HNTITGLOKCHELK-MJGOQNOKSA-N 1 2 408.543 0.021 20 0 HCADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000497570736 1078280308 /nfs/dbraw/zinc/28/03/08/1078280308.db2.gz HNTITGLOKCHELK-MJGOQNOKSA-N 1 2 408.543 0.021 20 0 HCADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000497570737 1078280161 /nfs/dbraw/zinc/28/01/61/1078280161.db2.gz HNTITGLOKCHELK-PKOBYXMFSA-N 1 2 408.543 0.021 20 0 HCADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000497570737 1078280154 /nfs/dbraw/zinc/28/01/54/1078280154.db2.gz HNTITGLOKCHELK-PKOBYXMFSA-N 1 2 408.543 0.021 20 0 HCADLO COc1ccc(NC(=O)C[NH2+]C2(C(N)=O)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000497576005 1078277720 /nfs/dbraw/zinc/27/77/20/1078277720.db2.gz YZKHTYSNQKFMGS-UHFFFAOYSA-N 1 2 410.496 0.416 20 0 HCADLO O=C(CCc1[nH]cc[nH+]1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000497577638 1078277787 /nfs/dbraw/zinc/27/77/87/1078277787.db2.gz GPMKGVUSASFYJC-UHFFFAOYSA-N 1 2 419.463 0.206 20 0 HCADLO CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000497586930 1078283393 /nfs/dbraw/zinc/28/33/93/1078283393.db2.gz CUYXVACYBIFMFC-UHFFFAOYSA-N 1 2 402.480 0.977 20 0 HCADLO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000497591441 1078284559 /nfs/dbraw/zinc/28/45/59/1078284559.db2.gz APNKGBWVUPYWSC-UHFFFAOYSA-N 1 2 421.523 0.996 20 0 HCADLO O=C(c1ccc(-n2cnnn2)cc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000497609204 1078287461 /nfs/dbraw/zinc/28/74/61/1078287461.db2.gz BIDYGECPRYCRNL-IBGZPJMESA-N 1 2 408.462 0.860 20 0 HCADLO O=C(c1ccc(-n2cnnn2)cc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000497609207 1078287483 /nfs/dbraw/zinc/28/74/83/1078287483.db2.gz BIDYGECPRYCRNL-LJQANCHMSA-N 1 2 408.462 0.860 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(I)cnn2C)C[C@@H]1C ZINC000497626985 1078295612 /nfs/dbraw/zinc/29/56/12/1078295612.db2.gz GRLSQNQESAXAJE-JTQLQIEISA-N 1 2 420.251 0.734 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(I)cnn2C)C[C@@H]1C ZINC000497626985 1078295607 /nfs/dbraw/zinc/29/56/07/1078295607.db2.gz GRLSQNQESAXAJE-JTQLQIEISA-N 1 2 420.251 0.734 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(I)cnn2C)C[C@H]1C ZINC000497626988 1078295577 /nfs/dbraw/zinc/29/55/77/1078295577.db2.gz GRLSQNQESAXAJE-SNVBAGLBSA-N 1 2 420.251 0.734 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(I)cnn2C)C[C@H]1C ZINC000497626988 1078295573 /nfs/dbraw/zinc/29/55/73/1078295573.db2.gz GRLSQNQESAXAJE-SNVBAGLBSA-N 1 2 420.251 0.734 20 0 HCADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cn(CCO)c(=O)[nH]c3=O)CCCC2)no1 ZINC000497645599 1078300306 /nfs/dbraw/zinc/30/03/06/1078300306.db2.gz JOSPIFNAMXCSPS-UHFFFAOYSA-N 1 2 420.470 0.365 20 0 HCADLO O=C(CCC(=O)N1CCC(O)CC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000497655639 1078302118 /nfs/dbraw/zinc/30/21/18/1078302118.db2.gz NJJMREWEIAITNY-UHFFFAOYSA-N 1 2 419.522 0.777 20 0 HCADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@H](CO)NC(N)=O)CC3)n2)cc1 ZINC000497662850 1078303127 /nfs/dbraw/zinc/30/31/27/1078303127.db2.gz FNMXJFAYGFJRCF-INIZCTEOSA-N 1 2 416.482 0.151 20 0 HCADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@@H](CO)NC(N)=O)CC3)n2)cc1 ZINC000497662852 1078303096 /nfs/dbraw/zinc/30/30/96/1078303096.db2.gz FNMXJFAYGFJRCF-MRXNPFEDSA-N 1 2 416.482 0.151 20 0 HCADLO CCC[C@@]1(C)NC(=O)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000497674778 1078304558 /nfs/dbraw/zinc/30/45/58/1078304558.db2.gz XSTCOXWGLYLBGV-LJQANCHMSA-N 1 2 414.470 0.123 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)C2)cn1 ZINC000497693184 1078305441 /nfs/dbraw/zinc/30/54/41/1078305441.db2.gz YFAADKQPZDVPCF-DLBZAZTESA-N 1 2 413.526 0.720 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)C2)cn1 ZINC000497693185 1078305394 /nfs/dbraw/zinc/30/53/94/1078305394.db2.gz YFAADKQPZDVPCF-IAGOWNOFSA-N 1 2 413.526 0.720 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)C2)cn1 ZINC000497693186 1078305313 /nfs/dbraw/zinc/30/53/13/1078305313.db2.gz YFAADKQPZDVPCF-IRXDYDNUSA-N 1 2 413.526 0.720 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)C2)cn1 ZINC000497693187 1078305409 /nfs/dbraw/zinc/30/54/09/1078305409.db2.gz YFAADKQPZDVPCF-SJORKVTESA-N 1 2 413.526 0.720 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000497694990 1078305449 /nfs/dbraw/zinc/30/54/49/1078305449.db2.gz DWRKHIAPMWEQLV-UHFFFAOYSA-N 1 2 421.454 0.416 20 0 HCADLO O=C(CCNC(=O)NCc1ccnc2ccnn21)N1CCN(c2cccc[nH+]2)CC1 ZINC000497696913 1078305869 /nfs/dbraw/zinc/30/58/69/1078305869.db2.gz NRUPXWHDSVAVAV-UHFFFAOYSA-N 1 2 408.466 0.662 20 0 HCADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000497697862 1078306115 /nfs/dbraw/zinc/30/61/15/1078306115.db2.gz SDDIWXYXQZJAFQ-BBWFWOEESA-N 1 2 406.531 0.073 20 0 HCADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000497697862 1078306110 /nfs/dbraw/zinc/30/61/10/1078306110.db2.gz SDDIWXYXQZJAFQ-BBWFWOEESA-N 1 2 406.531 0.073 20 0 HCADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000497697863 1078306047 /nfs/dbraw/zinc/30/60/47/1078306047.db2.gz SDDIWXYXQZJAFQ-IXDOHACOSA-N 1 2 406.531 0.073 20 0 HCADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000497697863 1078306042 /nfs/dbraw/zinc/30/60/42/1078306042.db2.gz SDDIWXYXQZJAFQ-IXDOHACOSA-N 1 2 406.531 0.073 20 0 HCADLO COc1cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc(S(C)(=O)=O)c1 ZINC000497698133 1078308406 /nfs/dbraw/zinc/30/84/06/1078308406.db2.gz ULDTUXQPOIADGV-UHFFFAOYSA-N 1 2 418.475 0.781 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)C2)cn1 ZINC000497698737 1078308303 /nfs/dbraw/zinc/30/83/03/1078308303.db2.gz WWQMNLMLBZWJDZ-MSOLQXFVSA-N 1 2 418.542 0.218 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)C2)cn1 ZINC000497698738 1078308395 /nfs/dbraw/zinc/30/83/95/1078308395.db2.gz WWQMNLMLBZWJDZ-QZTJIDSGSA-N 1 2 418.542 0.218 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)C2)cn1 ZINC000497698739 1078308358 /nfs/dbraw/zinc/30/83/58/1078308358.db2.gz WWQMNLMLBZWJDZ-ROUUACIJSA-N 1 2 418.542 0.218 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)C2)cn1 ZINC000497698740 1078308293 /nfs/dbraw/zinc/30/82/93/1078308293.db2.gz WWQMNLMLBZWJDZ-ZWKOTPCHSA-N 1 2 418.542 0.218 20 0 HCADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000497699896 1078308588 /nfs/dbraw/zinc/30/85/88/1078308588.db2.gz LPVBUGWLTAXJRJ-UHFFFAOYSA-N 1 2 411.462 0.745 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497700199 1078308743 /nfs/dbraw/zinc/30/87/43/1078308743.db2.gz OQRXPCOIQITADK-CVEARBPZSA-N 1 2 400.479 0.186 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497700200 1078308690 /nfs/dbraw/zinc/30/86/90/1078308690.db2.gz OQRXPCOIQITADK-HOTGVXAUSA-N 1 2 400.479 0.186 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497700201 1078308789 /nfs/dbraw/zinc/30/87/89/1078308789.db2.gz OQRXPCOIQITADK-HZPDHXFCSA-N 1 2 400.479 0.186 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497700202 1078308820 /nfs/dbraw/zinc/30/88/20/1078308820.db2.gz OQRXPCOIQITADK-JKSUJKDBSA-N 1 2 400.479 0.186 20 0 HCADLO COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000497701578 1078309272 /nfs/dbraw/zinc/30/92/72/1078309272.db2.gz SZQXRFYLORJWOY-UHFFFAOYSA-N 1 2 414.256 0.957 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)CC1 ZINC000497702661 1078309442 /nfs/dbraw/zinc/30/94/42/1078309442.db2.gz WWVUHABGNYFOPC-UHFFFAOYSA-N 1 2 413.496 0.218 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000497707708 1078310783 /nfs/dbraw/zinc/31/07/83/1078310783.db2.gz AXKBEVHMGQZEEF-KRWDZBQOSA-N 1 2 406.531 0.074 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000497707709 1078310724 /nfs/dbraw/zinc/31/07/24/1078310724.db2.gz AXKBEVHMGQZEEF-QGZVFWFLSA-N 1 2 406.531 0.074 20 0 HCADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497708448 1078307703 /nfs/dbraw/zinc/30/77/03/1078307703.db2.gz JYTOOOBEYNRLLB-INIZCTEOSA-N 1 2 406.531 0.074 20 0 HCADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497708448 1078307699 /nfs/dbraw/zinc/30/76/99/1078307699.db2.gz JYTOOOBEYNRLLB-INIZCTEOSA-N 1 2 406.531 0.074 20 0 HCADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497708449 1078307650 /nfs/dbraw/zinc/30/76/50/1078307650.db2.gz JYTOOOBEYNRLLB-MRXNPFEDSA-N 1 2 406.531 0.074 20 0 HCADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497708449 1078307643 /nfs/dbraw/zinc/30/76/43/1078307643.db2.gz JYTOOOBEYNRLLB-MRXNPFEDSA-N 1 2 406.531 0.074 20 0 HCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497711060 1078308011 /nfs/dbraw/zinc/30/80/11/1078308011.db2.gz FJWCWSLVBLEFCJ-AZUAARDMSA-N 1 2 415.538 0.840 20 0 HCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497711060 1078308007 /nfs/dbraw/zinc/30/80/07/1078308007.db2.gz FJWCWSLVBLEFCJ-AZUAARDMSA-N 1 2 415.538 0.840 20 0 HCADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497711061 1078308113 /nfs/dbraw/zinc/30/81/13/1078308113.db2.gz FJWCWSLVBLEFCJ-ICSRJNTNSA-N 1 2 415.538 0.840 20 0 HCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497711061 1078308111 /nfs/dbraw/zinc/30/81/11/1078308111.db2.gz FJWCWSLVBLEFCJ-ICSRJNTNSA-N 1 2 415.538 0.840 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497711062 1078308147 /nfs/dbraw/zinc/30/81/47/1078308147.db2.gz FJWCWSLVBLEFCJ-QUCCMNQESA-N 1 2 415.538 0.840 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497711062 1078308143 /nfs/dbraw/zinc/30/81/43/1078308143.db2.gz FJWCWSLVBLEFCJ-QUCCMNQESA-N 1 2 415.538 0.840 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497711063 1078308059 /nfs/dbraw/zinc/30/80/59/1078308059.db2.gz FJWCWSLVBLEFCJ-UYAOXDASSA-N 1 2 415.538 0.840 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000497711063 1078308058 /nfs/dbraw/zinc/30/80/58/1078308058.db2.gz FJWCWSLVBLEFCJ-UYAOXDASSA-N 1 2 415.538 0.840 20 0 HCADLO C[NH+](C)C1CN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)C1 ZINC000497714588 1078310934 /nfs/dbraw/zinc/31/09/34/1078310934.db2.gz RSFXWBLKZYBUBK-UHFFFAOYSA-N 1 2 418.313 0.575 20 0 HCADLO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCNc1cccc[nH+]1 ZINC000497725320 1078313234 /nfs/dbraw/zinc/31/32/34/1078313234.db2.gz KFEPNXGQLJWSQB-UHFFFAOYSA-N 1 2 407.496 0.606 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000497726245 1078313479 /nfs/dbraw/zinc/31/34/79/1078313479.db2.gz RKAVETMHPUWNEM-IBGZPJMESA-N 1 2 410.522 0.850 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000497726246 1078313429 /nfs/dbraw/zinc/31/34/29/1078313429.db2.gz RKAVETMHPUWNEM-LJQANCHMSA-N 1 2 410.522 0.850 20 0 HCADLO Cn1c2ncn(CCC(=O)NCc3ccccc3Cn3cc[nH+]c3)c2c(=O)n(C)c1=O ZINC000497727453 1078316275 /nfs/dbraw/zinc/31/62/75/1078316275.db2.gz MQFXRCBJGVMUSX-UHFFFAOYSA-N 1 2 421.461 0.385 20 0 HCADLO CC(C)(CNC(=O)CN1CCc2c(cccc2NS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000497728628 1078316544 /nfs/dbraw/zinc/31/65/44/1078316544.db2.gz XNGIIURQBMOUIZ-UHFFFAOYSA-N 1 2 424.567 0.643 20 0 HCADLO O=C(CN1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1)Nc1nncs1 ZINC000497729178 1078316776 /nfs/dbraw/zinc/31/67/76/1078316776.db2.gz RDRNEOCOPXFIAV-HNNXBMFYSA-N 1 2 408.528 0.264 20 0 HCADLO O=C(CN1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1)Nc1nncs1 ZINC000497729178 1078316772 /nfs/dbraw/zinc/31/67/72/1078316772.db2.gz RDRNEOCOPXFIAV-HNNXBMFYSA-N 1 2 408.528 0.264 20 0 HCADLO O=C(CN1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1)Nc1nncs1 ZINC000497729179 1078316800 /nfs/dbraw/zinc/31/68/00/1078316800.db2.gz RDRNEOCOPXFIAV-OAHLLOKOSA-N 1 2 408.528 0.264 20 0 HCADLO O=C(CN1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1)Nc1nncs1 ZINC000497729179 1078316799 /nfs/dbraw/zinc/31/67/99/1078316799.db2.gz RDRNEOCOPXFIAV-OAHLLOKOSA-N 1 2 408.528 0.264 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@@H+](C)C[C@@H]2CCCCO2)c(N)n(Cc2ccccc2)c1=O ZINC000497737611 1078314932 /nfs/dbraw/zinc/31/49/32/1078314932.db2.gz KKGQXUFSHNNTGH-INIZCTEOSA-N 1 2 400.479 0.861 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@H+](C)C[C@@H]2CCCCO2)c(N)n(Cc2ccccc2)c1=O ZINC000497737611 1078314929 /nfs/dbraw/zinc/31/49/29/1078314929.db2.gz KKGQXUFSHNNTGH-INIZCTEOSA-N 1 2 400.479 0.861 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@@H+](C)C[C@H]2CCCCO2)c(N)n(Cc2ccccc2)c1=O ZINC000497737612 1078314990 /nfs/dbraw/zinc/31/49/90/1078314990.db2.gz KKGQXUFSHNNTGH-MRXNPFEDSA-N 1 2 400.479 0.861 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@H+](C)C[C@H]2CCCCO2)c(N)n(Cc2ccccc2)c1=O ZINC000497737612 1078314985 /nfs/dbraw/zinc/31/49/85/1078314985.db2.gz KKGQXUFSHNNTGH-MRXNPFEDSA-N 1 2 400.479 0.861 20 0 HCADLO COc1cccc(OCC[NH+]2CCN(C(=O)Cn3nc4ccccn4c3=O)CC2)c1 ZINC000497737912 1078315028 /nfs/dbraw/zinc/31/50/28/1078315028.db2.gz ABROEBRZCKKBJZ-UHFFFAOYSA-N 1 2 411.462 0.728 20 0 HCADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497738516 1078315550 /nfs/dbraw/zinc/31/55/50/1078315550.db2.gz SRGCKHPKTRFPDX-DZGCQCFKSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497738516 1078315545 /nfs/dbraw/zinc/31/55/45/1078315545.db2.gz SRGCKHPKTRFPDX-DZGCQCFKSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497738517 1078315438 /nfs/dbraw/zinc/31/54/38/1078315438.db2.gz SRGCKHPKTRFPDX-HIFRSBDPSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497738517 1078315432 /nfs/dbraw/zinc/31/54/32/1078315432.db2.gz SRGCKHPKTRFPDX-HIFRSBDPSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497738518 1078315620 /nfs/dbraw/zinc/31/56/20/1078315620.db2.gz SRGCKHPKTRFPDX-UKRRQHHQSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497738518 1078315618 /nfs/dbraw/zinc/31/56/18/1078315618.db2.gz SRGCKHPKTRFPDX-UKRRQHHQSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497738519 1078315509 /nfs/dbraw/zinc/31/55/09/1078315509.db2.gz SRGCKHPKTRFPDX-ZFWWWQNUSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497738519 1078315502 /nfs/dbraw/zinc/31/55/02/1078315502.db2.gz SRGCKHPKTRFPDX-ZFWWWQNUSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497741205 1078316051 /nfs/dbraw/zinc/31/60/51/1078316051.db2.gz CLLFZKDGJABMOT-CYBMUJFWSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497741205 1078316048 /nfs/dbraw/zinc/31/60/48/1078316048.db2.gz CLLFZKDGJABMOT-CYBMUJFWSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497741206 1078316097 /nfs/dbraw/zinc/31/60/97/1078316097.db2.gz CLLFZKDGJABMOT-ZDUSSCGKSA-N 1 2 408.524 0.529 20 0 HCADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000497741206 1078316094 /nfs/dbraw/zinc/31/60/94/1078316094.db2.gz CLLFZKDGJABMOT-ZDUSSCGKSA-N 1 2 408.524 0.529 20 0 HCADLO O=C(CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000497743671 1078319860 /nfs/dbraw/zinc/31/98/60/1078319860.db2.gz LIOLYPNFVWIMMQ-CYBMUJFWSA-N 1 2 402.455 0.705 20 0 HCADLO O=C(CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000497743672 1078319907 /nfs/dbraw/zinc/31/99/07/1078319907.db2.gz LIOLYPNFVWIMMQ-ZDUSSCGKSA-N 1 2 402.455 0.705 20 0 HCADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497744531 1078320198 /nfs/dbraw/zinc/32/01/98/1078320198.db2.gz SDOVXJYHEVYBLQ-UHFFFAOYSA-N 1 2 401.467 0.715 20 0 HCADLO O=C(C[N@H+]1CCCN(C(=O)c2ccccc2)CC1)N1CCN(c2cnccn2)CC1 ZINC000497745228 1078320412 /nfs/dbraw/zinc/32/04/12/1078320412.db2.gz CSIILKUXZBCAOE-UHFFFAOYSA-N 1 2 408.506 0.973 20 0 HCADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1)N1CCN(c2cnccn2)CC1 ZINC000497745228 1078320408 /nfs/dbraw/zinc/32/04/08/1078320408.db2.gz CSIILKUXZBCAOE-UHFFFAOYSA-N 1 2 408.506 0.973 20 0 HCADLO Cc1nsc(N2CCN(CC(O)C[NH+]3CCN(c4nc(C)ns4)CC3)CC2)n1 ZINC000497747101 1078320501 /nfs/dbraw/zinc/32/05/01/1078320501.db2.gz CRGSKZAIVMHYNJ-UHFFFAOYSA-N 1 2 424.600 0.312 20 0 HCADLO CN(CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000497747750 1078317793 /nfs/dbraw/zinc/31/77/93/1078317793.db2.gz MCHSOPQJQIOMHH-CEXWTWQISA-N 1 2 409.552 0.105 20 0 HCADLO CN(CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000497747750 1078317787 /nfs/dbraw/zinc/31/77/87/1078317787.db2.gz MCHSOPQJQIOMHH-CEXWTWQISA-N 1 2 409.552 0.105 20 0 HCADLO CN(CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000497747751 1078317862 /nfs/dbraw/zinc/31/78/62/1078317862.db2.gz MCHSOPQJQIOMHH-GBESFXJTSA-N 1 2 409.552 0.105 20 0 HCADLO CN(CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000497747751 1078317859 /nfs/dbraw/zinc/31/78/59/1078317859.db2.gz MCHSOPQJQIOMHH-GBESFXJTSA-N 1 2 409.552 0.105 20 0 HCADLO CN(CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000497747752 1078317880 /nfs/dbraw/zinc/31/78/80/1078317880.db2.gz MCHSOPQJQIOMHH-GUDVDZBRSA-N 1 2 409.552 0.105 20 0 HCADLO CN(CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000497747752 1078317877 /nfs/dbraw/zinc/31/78/77/1078317877.db2.gz MCHSOPQJQIOMHH-GUDVDZBRSA-N 1 2 409.552 0.105 20 0 HCADLO CN(CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000497747753 1078317841 /nfs/dbraw/zinc/31/78/41/1078317841.db2.gz MCHSOPQJQIOMHH-IPMKNSEASA-N 1 2 409.552 0.105 20 0 HCADLO CN(CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000497747753 1078317835 /nfs/dbraw/zinc/31/78/35/1078317835.db2.gz MCHSOPQJQIOMHH-IPMKNSEASA-N 1 2 409.552 0.105 20 0 HCADLO NC(=O)[C@@H]1Cc2ccccc2CN1CC(O)C[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000497747803 1078317779 /nfs/dbraw/zinc/31/77/79/1078317779.db2.gz MVCQEJKIQUUKOJ-SFTDATJTSA-N 1 2 408.502 0.172 20 0 HCADLO NC(=O)[C@@H]1Cc2ccccc2CN1CC(O)C[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000497747803 1078317772 /nfs/dbraw/zinc/31/77/72/1078317772.db2.gz MVCQEJKIQUUKOJ-SFTDATJTSA-N 1 2 408.502 0.172 20 0 HCADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000497748346 1078318403 /nfs/dbraw/zinc/31/84/03/1078318403.db2.gz XBZKHIPRGLDNRP-IBGZPJMESA-N 1 2 406.870 0.932 20 0 HCADLO COC(=O)[C@](C)(O)C[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000497748347 1078318298 /nfs/dbraw/zinc/31/82/98/1078318298.db2.gz XBZKHIPRGLDNRP-LJQANCHMSA-N 1 2 406.870 0.932 20 0 HCADLO O=C(c1ccco1)N1CCN(CC(O)C[NH+]2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000497749176 1078318341 /nfs/dbraw/zinc/31/83/41/1078318341.db2.gz ARULUYGKJAHCEZ-UHFFFAOYSA-N 1 2 416.478 0.449 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1F ZINC000497750705 1078318643 /nfs/dbraw/zinc/31/86/43/1078318643.db2.gz PWZLEKRGXFMMEG-UHFFFAOYSA-N 1 2 423.470 0.564 20 0 HCADLO COc1cc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cc(S(C)(=O)=O)c1 ZINC000497751733 1078318673 /nfs/dbraw/zinc/31/86/73/1078318673.db2.gz ZNNKDQNIMJQLPS-UHFFFAOYSA-N 1 2 420.491 0.929 20 0 HCADLO COCCNC(=O)c1cccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000497753733 1078319099 /nfs/dbraw/zinc/31/90/99/1078319099.db2.gz QAHWFEMCEWHMFO-UHFFFAOYSA-N 1 2 413.478 0.893 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497763538 1078321471 /nfs/dbraw/zinc/32/14/71/1078321471.db2.gz QKXOFFXLGRDDRQ-BZUAXINKSA-N 1 2 411.462 0.423 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497763539 1078321561 /nfs/dbraw/zinc/32/15/61/1078321561.db2.gz QKXOFFXLGRDDRQ-OAGGEKHMSA-N 1 2 411.462 0.423 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497763540 1078321506 /nfs/dbraw/zinc/32/15/06/1078321506.db2.gz QKXOFFXLGRDDRQ-OWCLPIDISA-N 1 2 411.462 0.423 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497763541 1078321444 /nfs/dbraw/zinc/32/14/44/1078321444.db2.gz QKXOFFXLGRDDRQ-PMPSAXMXSA-N 1 2 411.462 0.423 20 0 HCADLO COc1ccc2nc(CN3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)[nH]c2n1 ZINC000497766231 1078321930 /nfs/dbraw/zinc/32/19/30/1078321930.db2.gz DLAXZCGDSAQXPS-UHFFFAOYSA-N 1 2 410.482 0.915 20 0 HCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC2)cc1OC ZINC000497776783 1078323067 /nfs/dbraw/zinc/32/30/67/1078323067.db2.gz VICPLOIEPKRHCF-UHFFFAOYSA-N 1 2 404.467 0.550 20 0 HCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)cc1OC ZINC000497780717 1078323673 /nfs/dbraw/zinc/32/36/73/1078323673.db2.gz UQCNYLQBNLHGBC-UHFFFAOYSA-N 1 2 418.494 0.987 20 0 HCADLO O=C(CCNS(=O)(=O)c1cccnc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000497788096 1078325592 /nfs/dbraw/zinc/32/55/92/1078325592.db2.gz KWHSLKUGOIINRQ-GOSISDBHSA-N 1 2 418.519 0.767 20 0 HCADLO O=C(CCNS(=O)(=O)c1cccnc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000497788096 1078325585 /nfs/dbraw/zinc/32/55/85/1078325585.db2.gz KWHSLKUGOIINRQ-GOSISDBHSA-N 1 2 418.519 0.767 20 0 HCADLO O=C(CCNS(=O)(=O)c1cccnc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000497788097 1078325526 /nfs/dbraw/zinc/32/55/26/1078325526.db2.gz KWHSLKUGOIINRQ-SFHVURJKSA-N 1 2 418.519 0.767 20 0 HCADLO O=C(CCNS(=O)(=O)c1cccnc1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000497788097 1078325524 /nfs/dbraw/zinc/32/55/24/1078325524.db2.gz KWHSLKUGOIINRQ-SFHVURJKSA-N 1 2 418.519 0.767 20 0 HCADLO CC(C)n1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000497790029 1078325771 /nfs/dbraw/zinc/32/57/71/1078325771.db2.gz DLNLFDTYLBIMKF-UHFFFAOYSA-N 1 2 406.512 0.741 20 0 HCADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497791900 1078325962 /nfs/dbraw/zinc/32/59/62/1078325962.db2.gz SMRBXFFVAVFFDP-INIZCTEOSA-N 1 2 413.482 0.223 20 0 HCADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000497791902 1078326080 /nfs/dbraw/zinc/32/60/80/1078326080.db2.gz SMRBXFFVAVFFDP-MRXNPFEDSA-N 1 2 413.482 0.223 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000497812319 1078326754 /nfs/dbraw/zinc/32/67/54/1078326754.db2.gz KHKJIGLIPQETEZ-IAGOWNOFSA-N 1 2 412.450 0.107 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000497812320 1078326698 /nfs/dbraw/zinc/32/66/98/1078326698.db2.gz KHKJIGLIPQETEZ-SJORKVTESA-N 1 2 412.450 0.107 20 0 HCADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCCN2CC[NH+](C)CC2)cn1 ZINC000497814654 1078326936 /nfs/dbraw/zinc/32/69/36/1078326936.db2.gz GKJJMNCIDHYKBQ-UHFFFAOYSA-N 1 2 412.541 0.260 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000497819766 1078329192 /nfs/dbraw/zinc/32/91/92/1078329192.db2.gz KHKJIGLIPQETEZ-DLBZAZTESA-N 1 2 412.450 0.107 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000497819767 1078329132 /nfs/dbraw/zinc/32/91/32/1078329132.db2.gz KHKJIGLIPQETEZ-IRXDYDNUSA-N 1 2 412.450 0.107 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000497830717 1078332925 /nfs/dbraw/zinc/33/29/25/1078332925.db2.gz DIUJZCULPDLZJC-CVEARBPZSA-N 1 2 406.508 0.334 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000497830718 1078332877 /nfs/dbraw/zinc/33/28/77/1078332877.db2.gz DIUJZCULPDLZJC-HOTGVXAUSA-N 1 2 406.508 0.334 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000497830719 1078332950 /nfs/dbraw/zinc/33/29/50/1078332950.db2.gz DIUJZCULPDLZJC-HZPDHXFCSA-N 1 2 406.508 0.334 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000497830720 1078332891 /nfs/dbraw/zinc/33/28/91/1078332891.db2.gz DIUJZCULPDLZJC-JKSUJKDBSA-N 1 2 406.508 0.334 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000497845670 1078332565 /nfs/dbraw/zinc/33/25/65/1078332565.db2.gz ADBXQYVOIMZDAD-UHFFFAOYSA-N 1 2 419.507 0.961 20 0 HCADLO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000497865708 1078335012 /nfs/dbraw/zinc/33/50/12/1078335012.db2.gz AAWJMWVCNQRIIG-UHFFFAOYSA-N 1 2 406.464 0.802 20 0 HCADLO O=C(NCCNc1cccc[nH+]1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497866489 1078337194 /nfs/dbraw/zinc/33/71/94/1078337194.db2.gz YSDOCXBPDYQUDU-CVEARBPZSA-N 1 2 423.473 0.645 20 0 HCADLO O=C(NCCNc1cccc[nH+]1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000497866491 1078337149 /nfs/dbraw/zinc/33/71/49/1078337149.db2.gz YSDOCXBPDYQUDU-HOTGVXAUSA-N 1 2 423.473 0.645 20 0 HCADLO O=C(NCCNc1cccc[nH+]1)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497866494 1078337268 /nfs/dbraw/zinc/33/72/68/1078337268.db2.gz YSDOCXBPDYQUDU-HZPDHXFCSA-N 1 2 423.473 0.645 20 0 HCADLO O=C(NCCNc1cccc[nH+]1)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000497866496 1078337121 /nfs/dbraw/zinc/33/71/21/1078337121.db2.gz YSDOCXBPDYQUDU-JKSUJKDBSA-N 1 2 423.473 0.645 20 0 HCADLO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)ccc1F ZINC000497867905 1078334890 /nfs/dbraw/zinc/33/48/90/1078334890.db2.gz JYQORRWAIHAVHT-UHFFFAOYSA-N 1 2 409.443 0.638 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cn1 ZINC000497877657 1078336582 /nfs/dbraw/zinc/33/65/82/1078336582.db2.gz ZFPJCIODOKUHPH-UHFFFAOYSA-N 1 2 419.507 0.489 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497882061 1078336963 /nfs/dbraw/zinc/33/69/63/1078336963.db2.gz RPANUEFLQVQSEI-INIZCTEOSA-N 1 2 416.478 0.304 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497882062 1078336934 /nfs/dbraw/zinc/33/69/34/1078336934.db2.gz RPANUEFLQVQSEI-MRXNPFEDSA-N 1 2 416.478 0.304 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000497898535 1078339919 /nfs/dbraw/zinc/33/99/19/1078339919.db2.gz IBTNPJBULSDUEL-UHFFFAOYSA-N 1 2 401.442 0.656 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000497898535 1078339914 /nfs/dbraw/zinc/33/99/14/1078339914.db2.gz IBTNPJBULSDUEL-UHFFFAOYSA-N 1 2 401.442 0.656 20 0 HCADLO O=C(CCNS(=O)(=O)c1cccnc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000497908905 1078341719 /nfs/dbraw/zinc/34/17/19/1078341719.db2.gz FNDHIRYXQLFRNH-UHFFFAOYSA-N 1 2 418.519 0.899 20 0 HCADLO Cc1c(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)nnn1-c1ccn(C)n1 ZINC000497910331 1078339508 /nfs/dbraw/zinc/33/95/08/1078339508.db2.gz DTLNKHCTVKPFNV-UHFFFAOYSA-N 1 2 409.454 0.344 20 0 HCADLO Cc1cc(Cn2nnc(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)c2C)on1 ZINC000497910661 1078339488 /nfs/dbraw/zinc/33/94/88/1078339488.db2.gz NDJHVGUTVYBYCE-UHFFFAOYSA-N 1 2 424.465 0.966 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)ccn2)CC1 ZINC000497911703 1078340522 /nfs/dbraw/zinc/34/05/22/1078340522.db2.gz UQEUGUKIKWHKRD-IYBDPMFKSA-N 1 2 411.462 0.359 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc2c1CNC2=O ZINC000497911944 1078339404 /nfs/dbraw/zinc/33/94/04/1078339404.db2.gz DHLDHLUFOQFQBB-INIZCTEOSA-N 1 2 408.458 0.886 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc2c1CNC2=O ZINC000497911944 1078339398 /nfs/dbraw/zinc/33/93/98/1078339398.db2.gz DHLDHLUFOQFQBB-INIZCTEOSA-N 1 2 408.458 0.886 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc2c1CNC2=O ZINC000497911946 1078339501 /nfs/dbraw/zinc/33/95/01/1078339501.db2.gz DHLDHLUFOQFQBB-MRXNPFEDSA-N 1 2 408.458 0.886 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc2c1CNC2=O ZINC000497911946 1078339498 /nfs/dbraw/zinc/33/94/98/1078339498.db2.gz DHLDHLUFOQFQBB-MRXNPFEDSA-N 1 2 408.458 0.886 20 0 HCADLO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000497912913 1078342194 /nfs/dbraw/zinc/34/21/94/1078342194.db2.gz HZHOKIQTGOTSKM-GOSISDBHSA-N 1 2 420.510 0.474 20 0 HCADLO COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000497912914 1078342359 /nfs/dbraw/zinc/34/23/59/1078342359.db2.gz HZHOKIQTGOTSKM-SFHVURJKSA-N 1 2 420.510 0.474 20 0 HCADLO CCCn1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C1CC1 ZINC000497917094 1078343087 /nfs/dbraw/zinc/34/30/87/1078343087.db2.gz DRAUMIWSFZVXJM-UHFFFAOYSA-N 1 2 424.571 0.421 20 0 HCADLO CC(C)n1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C1CC1 ZINC000497917134 1078343041 /nfs/dbraw/zinc/34/30/41/1078343041.db2.gz FLNYKQKOTWZJIW-UHFFFAOYSA-N 1 2 424.571 0.591 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nn1 ZINC000497917668 1078343273 /nfs/dbraw/zinc/34/32/73/1078343273.db2.gz KYMAEWCNPLCTRF-UHFFFAOYSA-N 1 2 420.901 0.857 20 0 HCADLO C[C@H](CN1CCOCC1)NC(=O)c1ccoc1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000497920178 1078343543 /nfs/dbraw/zinc/34/35/43/1078343543.db2.gz AGYQEGFPRUVJOZ-DLBZAZTESA-N 1 2 422.526 0.110 20 0 HCADLO C[C@H](CN1CCOCC1)NC(=O)c1ccoc1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000497920179 1078343429 /nfs/dbraw/zinc/34/34/29/1078343429.db2.gz AGYQEGFPRUVJOZ-IAGOWNOFSA-N 1 2 422.526 0.110 20 0 HCADLO C[C@@H](CN1CCOCC1)NC(=O)c1ccoc1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000497920180 1078343518 /nfs/dbraw/zinc/34/35/18/1078343518.db2.gz AGYQEGFPRUVJOZ-IRXDYDNUSA-N 1 2 422.526 0.110 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1occc1C(=O)N[C@@H](C)CN1CCOCC1 ZINC000497920181 1078343554 /nfs/dbraw/zinc/34/35/54/1078343554.db2.gz AGYQEGFPRUVJOZ-SJORKVTESA-N 1 2 422.526 0.110 20 0 HCADLO CC[C@@H](c1nnc(SCCN2C(=O)CCC2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000497925689 1078345644 /nfs/dbraw/zinc/34/56/44/1078345644.db2.gz DNMAWEXAKYKPAQ-HNNXBMFYSA-N 1 2 424.571 0.864 20 0 HCADLO CC[C@H](c1nnc(SCCN2C(=O)CCC2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000497925692 1078345587 /nfs/dbraw/zinc/34/55/87/1078345587.db2.gz DNMAWEXAKYKPAQ-OAHLLOKOSA-N 1 2 424.571 0.864 20 0 HCADLO CC(C)N1C(=O)C(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000497926140 1078345386 /nfs/dbraw/zinc/34/53/86/1078345386.db2.gz GTDYFUAPTXJQPR-UHFFFAOYSA-N 1 2 402.451 0.334 20 0 HCADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C[C@@H]1C ZINC000497933451 1078344644 /nfs/dbraw/zinc/34/46/44/1078344644.db2.gz IFPXHBOSISCDBS-JMERFSKESA-N 1 2 424.523 0.853 20 0 HCADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C[C@@H]1C ZINC000497933451 1078344641 /nfs/dbraw/zinc/34/46/41/1078344641.db2.gz IFPXHBOSISCDBS-JMERFSKESA-N 1 2 424.523 0.853 20 0 HCADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C[C@H]1C ZINC000497933452 1078344983 /nfs/dbraw/zinc/34/49/83/1078344983.db2.gz IFPXHBOSISCDBS-NQCMUKECSA-N 1 2 424.523 0.853 20 0 HCADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C[C@H]1C ZINC000497933452 1078344979 /nfs/dbraw/zinc/34/49/79/1078344979.db2.gz IFPXHBOSISCDBS-NQCMUKECSA-N 1 2 424.523 0.853 20 0 HCADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C[C@H]1C ZINC000497933453 1078344900 /nfs/dbraw/zinc/34/49/00/1078344900.db2.gz IFPXHBOSISCDBS-QHRIQVFBSA-N 1 2 424.523 0.853 20 0 HCADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C[C@H]1C ZINC000497933453 1078344895 /nfs/dbraw/zinc/34/48/95/1078344895.db2.gz IFPXHBOSISCDBS-QHRIQVFBSA-N 1 2 424.523 0.853 20 0 HCADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C[C@@H]1C ZINC000497933454 1078344935 /nfs/dbraw/zinc/34/49/35/1078344935.db2.gz IFPXHBOSISCDBS-WTOJCKNJSA-N 1 2 424.523 0.853 20 0 HCADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C[C@@H]1C ZINC000497933454 1078344930 /nfs/dbraw/zinc/34/49/30/1078344930.db2.gz IFPXHBOSISCDBS-WTOJCKNJSA-N 1 2 424.523 0.853 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)CC1 ZINC000497953578 1078346910 /nfs/dbraw/zinc/34/69/10/1078346910.db2.gz BHICDSZRUIPPLX-KRWDZBQOSA-N 1 2 412.481 0.864 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC000497953584 1078346977 /nfs/dbraw/zinc/34/69/77/1078346977.db2.gz BHICDSZRUIPPLX-QGZVFWFLSA-N 1 2 412.481 0.864 20 0 HCADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000497981689 1078352565 /nfs/dbraw/zinc/35/25/65/1078352565.db2.gz IVRYRSPVDXNJID-UHFFFAOYSA-N 1 2 418.519 0.994 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1=O ZINC000498036851 1078359871 /nfs/dbraw/zinc/35/98/71/1078359871.db2.gz SPTLTEZJSHEKIE-UHFFFAOYSA-N 1 2 408.842 0.284 20 0 HCADLO CC(C)[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCN(C)CC1 ZINC000498044232 1078358194 /nfs/dbraw/zinc/35/81/94/1078358194.db2.gz BJHUUMJIJQRLKI-INIZCTEOSA-N 1 2 416.613 0.842 20 0 HCADLO CC(C)[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCN(C)CC1 ZINC000498044234 1078358256 /nfs/dbraw/zinc/35/82/56/1078358256.db2.gz BJHUUMJIJQRLKI-MRXNPFEDSA-N 1 2 416.613 0.842 20 0 HCADLO Cn1cnc(S(=O)(=O)NCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000498069871 1078363717 /nfs/dbraw/zinc/36/37/17/1078363717.db2.gz OCFUEDGILRTHCU-UHFFFAOYSA-N 1 2 406.512 0.790 20 0 HCADLO Cc1cc(N2CCN(C(=O)c3cn(CCO)c(=O)[nH]c3=O)CC2)nc(C(C)C)[nH+]1 ZINC000498074311 1078365184 /nfs/dbraw/zinc/36/51/84/1078365184.db2.gz HKWMLELEGZMAIA-UHFFFAOYSA-N 1 2 402.455 0.125 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000498104123 1078368671 /nfs/dbraw/zinc/36/86/71/1078368671.db2.gz ZTWQPKULICTPCF-HNNXBMFYSA-N 1 2 402.451 0.157 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000498104124 1078368700 /nfs/dbraw/zinc/36/87/00/1078368700.db2.gz ZTWQPKULICTPCF-OAHLLOKOSA-N 1 2 402.451 0.157 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)C1=O ZINC000498114094 1078370055 /nfs/dbraw/zinc/37/00/55/1078370055.db2.gz LIUOBYTVYSFMFN-UHFFFAOYSA-N 1 2 409.406 0.682 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000498115712 1078370329 /nfs/dbraw/zinc/37/03/29/1078370329.db2.gz FQJXGNPPHHFDFH-UHFFFAOYSA-N 1 2 407.496 0.541 20 0 HCADLO CC(C)(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)S(C)(=O)=O ZINC000498116817 1078370532 /nfs/dbraw/zinc/37/05/32/1078370532.db2.gz GCXNGFKVVMLSAE-AWEZNQCLSA-N 1 2 411.528 0.221 20 0 HCADLO CC(C)(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)S(C)(=O)=O ZINC000498116817 1078370526 /nfs/dbraw/zinc/37/05/26/1078370526.db2.gz GCXNGFKVVMLSAE-AWEZNQCLSA-N 1 2 411.528 0.221 20 0 HCADLO CC(C)(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)S(C)(=O)=O ZINC000498116818 1078370470 /nfs/dbraw/zinc/37/04/70/1078370470.db2.gz GCXNGFKVVMLSAE-CQSZACIVSA-N 1 2 411.528 0.221 20 0 HCADLO CC(C)(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)S(C)(=O)=O ZINC000498116818 1078370465 /nfs/dbraw/zinc/37/04/65/1078370465.db2.gz GCXNGFKVVMLSAE-CQSZACIVSA-N 1 2 411.528 0.221 20 0 HCADLO CCS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000498118385 1078370548 /nfs/dbraw/zinc/37/05/48/1078370548.db2.gz ULRFLRYHGMFZHW-UHFFFAOYSA-N 1 2 424.567 0.102 20 0 HCADLO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000498124348 1078369414 /nfs/dbraw/zinc/36/94/14/1078369414.db2.gz HMAGJKOURHIOAD-CVEARBPZSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000498124348 1078369407 /nfs/dbraw/zinc/36/94/07/1078369407.db2.gz HMAGJKOURHIOAD-CVEARBPZSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000498124349 1078369266 /nfs/dbraw/zinc/36/92/66/1078369266.db2.gz HMAGJKOURHIOAD-HOTGVXAUSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000498124349 1078369261 /nfs/dbraw/zinc/36/92/61/1078369261.db2.gz HMAGJKOURHIOAD-HOTGVXAUSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000498124350 1078369282 /nfs/dbraw/zinc/36/92/82/1078369282.db2.gz HMAGJKOURHIOAD-HZPDHXFCSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000498124350 1078369276 /nfs/dbraw/zinc/36/92/76/1078369276.db2.gz HMAGJKOURHIOAD-HZPDHXFCSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000498124351 1078369380 /nfs/dbraw/zinc/36/93/80/1078369380.db2.gz HMAGJKOURHIOAD-JKSUJKDBSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000498124351 1078369373 /nfs/dbraw/zinc/36/93/73/1078369373.db2.gz HMAGJKOURHIOAD-JKSUJKDBSA-N 1 2 402.499 0.267 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000498134680 1078372272 /nfs/dbraw/zinc/37/22/72/1078372272.db2.gz CPLRERHKTAAPRB-UHFFFAOYSA-N 1 2 413.316 0.671 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000498134680 1078372267 /nfs/dbraw/zinc/37/22/67/1078372267.db2.gz CPLRERHKTAAPRB-UHFFFAOYSA-N 1 2 413.316 0.671 20 0 HCADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000498139373 1078373473 /nfs/dbraw/zinc/37/34/73/1078373473.db2.gz VEJJHGOWPPLRII-UHFFFAOYSA-N 1 2 407.474 0.950 20 0 HCADLO CCc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC000498139420 1078373425 /nfs/dbraw/zinc/37/34/25/1078373425.db2.gz WCWQLVJOJVMHLZ-KRWDZBQOSA-N 1 2 423.535 0.315 20 0 HCADLO CCc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC000498139421 1078373590 /nfs/dbraw/zinc/37/35/90/1078373590.db2.gz WCWQLVJOJVMHLZ-QGZVFWFLSA-N 1 2 423.535 0.315 20 0 HCADLO C[C@@H]1CO[C@@H](C)CN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498145831 1078379086 /nfs/dbraw/zinc/37/90/86/1078379086.db2.gz NDIYRYSJYMLZJL-CVEARBPZSA-N 1 2 411.528 0.352 20 0 HCADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000498145832 1078379126 /nfs/dbraw/zinc/37/91/26/1078379126.db2.gz NDIYRYSJYMLZJL-HOTGVXAUSA-N 1 2 411.528 0.352 20 0 HCADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC000498145833 1078379386 /nfs/dbraw/zinc/37/93/86/1078379386.db2.gz NDIYRYSJYMLZJL-HZPDHXFCSA-N 1 2 411.528 0.352 20 0 HCADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000498145834 1078379374 /nfs/dbraw/zinc/37/93/74/1078379374.db2.gz NDIYRYSJYMLZJL-JKSUJKDBSA-N 1 2 411.528 0.352 20 0 HCADLO CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000498163691 1078381553 /nfs/dbraw/zinc/38/15/53/1078381553.db2.gz AUKKSIUAOGVNKE-UHFFFAOYSA-N 1 2 406.464 0.547 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000498170656 1078386627 /nfs/dbraw/zinc/38/66/27/1078386627.db2.gz JBLFQNXLNDTFTI-UHFFFAOYSA-N 1 2 423.452 0.714 20 0 HCADLO COCc1cnc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)s1 ZINC000498171590 1078386636 /nfs/dbraw/zinc/38/66/36/1078386636.db2.gz DUBRCVCNAFWWIC-UHFFFAOYSA-N 1 2 416.467 0.254 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2nc(C3CC3)cs2)CC1 ZINC000498172650 1078384630 /nfs/dbraw/zinc/38/46/30/1078384630.db2.gz MGCMINJWLDVLNL-UHFFFAOYSA-N 1 2 412.479 0.985 20 0 HCADLO COCc1csc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000498173214 1078384666 /nfs/dbraw/zinc/38/46/66/1078384666.db2.gz PEOBPJVPEJVPFH-UHFFFAOYSA-N 1 2 416.467 0.254 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2nc(COC)cs2)CC1 ZINC000498174858 1078385021 /nfs/dbraw/zinc/38/50/21/1078385021.db2.gz BAHSXGDIRIBEEH-UHFFFAOYSA-N 1 2 411.528 0.631 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2nc(COC)cs2)CC1 ZINC000498174858 1078385019 /nfs/dbraw/zinc/38/50/19/1078385019.db2.gz BAHSXGDIRIBEEH-UHFFFAOYSA-N 1 2 411.528 0.631 20 0 HCADLO Cc1ccc(OCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000498175610 1078385120 /nfs/dbraw/zinc/38/51/20/1078385120.db2.gz CUOZWORDBTXYDY-UHFFFAOYSA-N 1 2 424.567 0.709 20 0 HCADLO Cc1cc(C)cc(OCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498175794 1078383739 /nfs/dbraw/zinc/38/37/39/1078383739.db2.gz FPMPLLCYDPCXAX-UHFFFAOYSA-N 1 2 424.567 0.709 20 0 HCADLO Cc1ccc(OCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000498176259 1078385563 /nfs/dbraw/zinc/38/55/63/1078385563.db2.gz LCXIXIWPPHSBDU-UHFFFAOYSA-N 1 2 424.567 0.709 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000498176378 1078385552 /nfs/dbraw/zinc/38/55/52/1078385552.db2.gz MNKLRYISCFXRHR-UHFFFAOYSA-N 1 2 415.494 0.271 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000498176378 1078385550 /nfs/dbraw/zinc/38/55/50/1078385550.db2.gz MNKLRYISCFXRHR-UHFFFAOYSA-N 1 2 415.494 0.271 20 0 HCADLO COc1ccccc1C(C)(C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498178479 1078390429 /nfs/dbraw/zinc/39/04/29/1078390429.db2.gz OCDOYUQQPCZGKK-UHFFFAOYSA-N 1 2 424.567 0.609 20 0 HCADLO CC(C)Oc1ccccc1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498179134 1078390420 /nfs/dbraw/zinc/39/04/20/1078390420.db2.gz UMSBRDLJCDYROH-UHFFFAOYSA-N 1 2 424.567 0.653 20 0 HCADLO Cc1ccccc1C(C)(C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498179316 1078390425 /nfs/dbraw/zinc/39/04/25/1078390425.db2.gz WTSUJRBEBUVKNP-UHFFFAOYSA-N 1 2 408.568 0.909 20 0 HCADLO Cc1cccc(OCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000498179433 1078390443 /nfs/dbraw/zinc/39/04/43/1078390443.db2.gz ZUWJQUIIITUPGO-UHFFFAOYSA-N 1 2 424.567 0.709 20 0 HCADLO COc1ccccc1C1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000498179554 1078390468 /nfs/dbraw/zinc/39/04/68/1078390468.db2.gz MKYDIKOIDFYETP-UHFFFAOYSA-N 1 2 422.551 0.363 20 0 HCADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)n1C(C)C ZINC000498179626 1078390911 /nfs/dbraw/zinc/39/09/11/1078390911.db2.gz NOURLACGIKUGJJ-UHFFFAOYSA-N 1 2 411.572 0.936 20 0 HCADLO Cc1cccc(C)c1OCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498179642 1078390894 /nfs/dbraw/zinc/39/08/94/1078390894.db2.gz NUIRYZMUSNQBOJ-UHFFFAOYSA-N 1 2 424.567 0.709 20 0 HCADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1)N1CCCC1 ZINC000498181774 1078387435 /nfs/dbraw/zinc/38/74/35/1078387435.db2.gz KWIDNHJMNUYVSU-UHFFFAOYSA-N 1 2 413.478 0.025 20 0 HCADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1)N1CCCC1 ZINC000498181774 1078387433 /nfs/dbraw/zinc/38/74/33/1078387433.db2.gz KWIDNHJMNUYVSU-UHFFFAOYSA-N 1 2 413.478 0.025 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ncc(COC)s2)CC1 ZINC000498182159 1078387032 /nfs/dbraw/zinc/38/70/32/1078387032.db2.gz MQXMBIXXRBMPCC-UHFFFAOYSA-N 1 2 411.528 0.631 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ncc(COC)s2)CC1 ZINC000498182159 1078387026 /nfs/dbraw/zinc/38/70/26/1078387026.db2.gz MQXMBIXXRBMPCC-UHFFFAOYSA-N 1 2 411.528 0.631 20 0 HCADLO COCc1cnc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000498184515 1078387885 /nfs/dbraw/zinc/38/78/85/1078387885.db2.gz WXRYPKPWMAZSTC-UHFFFAOYSA-N 1 2 409.512 0.385 20 0 HCADLO COCc1cnc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000498184515 1078387878 /nfs/dbraw/zinc/38/78/78/1078387878.db2.gz WXRYPKPWMAZSTC-UHFFFAOYSA-N 1 2 409.512 0.385 20 0 HCADLO Cc1ccc(C)c(OCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498184816 1078388433 /nfs/dbraw/zinc/38/84/33/1078388433.db2.gz GIHPVXDVIUGYEJ-UHFFFAOYSA-N 1 2 424.567 0.709 20 0 HCADLO COCc1csc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000498184938 1078388516 /nfs/dbraw/zinc/38/85/16/1078388516.db2.gz YLZALTDNDHQLHG-UHFFFAOYSA-N 1 2 409.512 0.385 20 0 HCADLO COCc1csc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000498184938 1078388513 /nfs/dbraw/zinc/38/85/13/1078388513.db2.gz YLZALTDNDHQLHG-UHFFFAOYSA-N 1 2 409.512 0.385 20 0 HCADLO Cc1cccc(OCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498186826 1078389426 /nfs/dbraw/zinc/38/94/26/1078389426.db2.gz WWHAGFJEJMVPGK-UHFFFAOYSA-N 1 2 410.540 0.400 20 0 HCADLO COc1cccc([C@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498187153 1078389319 /nfs/dbraw/zinc/38/93/19/1078389319.db2.gz ZTWCWZDHHQCJRS-INIZCTEOSA-N 1 2 410.540 0.435 20 0 HCADLO COc1cccc([C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498187154 1078389352 /nfs/dbraw/zinc/38/93/52/1078389352.db2.gz ZTWCWZDHHQCJRS-MRXNPFEDSA-N 1 2 410.540 0.435 20 0 HCADLO Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)[nH]n2)o1 ZINC000498187499 1078389148 /nfs/dbraw/zinc/38/91/48/1078389148.db2.gz LSERLEXLIPZZEX-UHFFFAOYSA-N 1 2 422.511 0.228 20 0 HCADLO CCOc1ccc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000498187861 1078389561 /nfs/dbraw/zinc/38/95/61/1078389561.db2.gz PSHTXFSNKPGDLY-UHFFFAOYSA-N 1 2 424.567 0.654 20 0 HCADLO CC(C)c1ccc(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000498188332 1078391617 /nfs/dbraw/zinc/39/16/17/1078391617.db2.gz WRQPEHDPBFJMDH-UHFFFAOYSA-N 1 2 424.567 0.825 20 0 HCADLO C[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498192038 1078392858 /nfs/dbraw/zinc/39/28/58/1078392858.db2.gz KMNRGGABNAHIAH-INIZCTEOSA-N 1 2 412.531 0.641 20 0 HCADLO C[C@H](Cc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498192039 1078392889 /nfs/dbraw/zinc/39/28/89/1078392889.db2.gz KMNRGGABNAHIAH-MRXNPFEDSA-N 1 2 412.531 0.641 20 0 HCADLO CCCc1nc(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000498192325 1078392838 /nfs/dbraw/zinc/39/28/38/1078392838.db2.gz MDQHOBKXWDQGKC-UHFFFAOYSA-N 1 2 415.585 0.654 20 0 HCADLO CC(C)Oc1cccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498193408 1078393067 /nfs/dbraw/zinc/39/30/67/1078393067.db2.gz UFIXPQQBOVORLG-UHFFFAOYSA-N 1 2 424.567 0.653 20 0 HCADLO CC(C)COc1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498194995 1078394391 /nfs/dbraw/zinc/39/43/91/1078394391.db2.gz HQMKHYGOTGYYLV-UHFFFAOYSA-N 1 2 424.567 0.971 20 0 HCADLO COc1cc(Cl)ccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498196264 1078394535 /nfs/dbraw/zinc/39/45/35/1078394535.db2.gz RXMVNBLKGMMBLI-UHFFFAOYSA-N 1 2 416.931 0.599 20 0 HCADLO COc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000498197399 1078394801 /nfs/dbraw/zinc/39/48/01/1078394801.db2.gz YWXWJYKTDRXLPO-UHFFFAOYSA-N 1 2 414.503 0.013 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccccc1CN1CCNC1=O ZINC000498198707 1078391715 /nfs/dbraw/zinc/39/17/15/1078391715.db2.gz ASCJSMJWUYOBQO-UHFFFAOYSA-N 1 2 424.509 0.946 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCNC(=O)c3ccco3)ccn2)CC1 ZINC000498201869 1078395214 /nfs/dbraw/zinc/39/52/14/1078395214.db2.gz OKSIDFDAINEJPV-UHFFFAOYSA-N 1 2 400.439 0.614 20 0 HCADLO C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(=O)NCc1ccco1 ZINC000498204191 1078396682 /nfs/dbraw/zinc/39/66/82/1078396682.db2.gz YFIOOJUHEKRKHG-AWEZNQCLSA-N 1 2 414.466 0.889 20 0 HCADLO C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(=O)NCc1ccco1 ZINC000498204201 1078396387 /nfs/dbraw/zinc/39/63/87/1078396387.db2.gz YFIOOJUHEKRKHG-CQSZACIVSA-N 1 2 414.466 0.889 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC(=O)NCc3ccco3)ccn2)CC1 ZINC000498206038 1078397858 /nfs/dbraw/zinc/39/78/58/1078397858.db2.gz XXSPDGBRXQBVIJ-UHFFFAOYSA-N 1 2 400.439 0.500 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC(=O)NCCc3ccccc3)ccn2)CC1 ZINC000498214850 1078399916 /nfs/dbraw/zinc/39/99/16/1078399916.db2.gz YTMKCNBIPHARLD-UHFFFAOYSA-N 1 2 424.505 0.950 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)ccc1F ZINC000498217084 1078401159 /nfs/dbraw/zinc/40/11/59/1078401159.db2.gz FUVAVRUEZCEQDR-UHFFFAOYSA-N 1 2 409.443 0.686 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN(Cc4ccon4)CC3)ccn2)CC1 ZINC000498219443 1078402194 /nfs/dbraw/zinc/40/21/94/1078402194.db2.gz KHHDCYWZKKYHTA-UHFFFAOYSA-N 1 2 413.482 0.807 20 0 HCADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CCCC2)no1 ZINC000498219678 1078406992 /nfs/dbraw/zinc/40/69/92/1078406992.db2.gz TXZBPEWYEWBPRB-UHFFFAOYSA-N 1 2 406.443 0.218 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)ccn2)CC1 ZINC000498223124 1078409659 /nfs/dbraw/zinc/40/96/59/1078409659.db2.gz DWMOKMGMFWNXGX-DOTOQJQBSA-N 1 2 400.483 0.744 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)ccn2)CC1 ZINC000498223125 1078409632 /nfs/dbraw/zinc/40/96/32/1078409632.db2.gz DWMOKMGMFWNXGX-NVXWUHKLSA-N 1 2 400.483 0.744 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)ccn2)CC1 ZINC000498223126 1078409653 /nfs/dbraw/zinc/40/96/53/1078409653.db2.gz DWMOKMGMFWNXGX-RDJZCZTQSA-N 1 2 400.483 0.744 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)ccn2)CC1 ZINC000498223127 1078409685 /nfs/dbraw/zinc/40/96/85/1078409685.db2.gz DWMOKMGMFWNXGX-WBVHZDCISA-N 1 2 400.483 0.744 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC(C)(C)CCS(C)(=O)=O)ccn2)CC1 ZINC000498223144 1078409693 /nfs/dbraw/zinc/40/96/93/1078409693.db2.gz FDKOWQOTEQBGFI-UHFFFAOYSA-N 1 2 411.528 0.804 20 0 HCADLO CC[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCN1CC(F)F ZINC000498225630 1078411939 /nfs/dbraw/zinc/41/19/39/1078411939.db2.gz JXHLWCIOZJKVKM-INIZCTEOSA-N 1 2 411.501 0.970 20 0 HCADLO CC[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCN1CC(F)F ZINC000498225632 1078411985 /nfs/dbraw/zinc/41/19/85/1078411985.db2.gz JXHLWCIOZJKVKM-MRXNPFEDSA-N 1 2 411.501 0.970 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn2ccncc12 ZINC000498226043 1078412743 /nfs/dbraw/zinc/41/27/43/1078412743.db2.gz KJDFEAFYLRVZDP-HNNXBMFYSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cnn2ccncc12 ZINC000498226043 1078412736 /nfs/dbraw/zinc/41/27/36/1078412736.db2.gz KJDFEAFYLRVZDP-HNNXBMFYSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn2ccncc12 ZINC000498226047 1078412687 /nfs/dbraw/zinc/41/26/87/1078412687.db2.gz KJDFEAFYLRVZDP-OAHLLOKOSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cnn2ccncc12 ZINC000498226047 1078412682 /nfs/dbraw/zinc/41/26/82/1078412682.db2.gz KJDFEAFYLRVZDP-OAHLLOKOSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498226831 1078413514 /nfs/dbraw/zinc/41/35/14/1078413514.db2.gz PFYMESHACPSDPF-HNNXBMFYSA-N 1 2 405.890 0.948 20 0 HCADLO O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498226831 1078413512 /nfs/dbraw/zinc/41/35/12/1078413512.db2.gz PFYMESHACPSDPF-HNNXBMFYSA-N 1 2 405.890 0.948 20 0 HCADLO O=C(Cn1cc(Cl)cn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498226832 1078413562 /nfs/dbraw/zinc/41/35/62/1078413562.db2.gz PFYMESHACPSDPF-OAHLLOKOSA-N 1 2 405.890 0.948 20 0 HCADLO O=C(Cn1cc(Cl)cn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498226832 1078413560 /nfs/dbraw/zinc/41/35/60/1078413560.db2.gz PFYMESHACPSDPF-OAHLLOKOSA-N 1 2 405.890 0.948 20 0 HCADLO CN(C)C(=O)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000498227143 1078413601 /nfs/dbraw/zinc/41/36/01/1078413601.db2.gz HOOHPOLTUGYGJE-HNNXBMFYSA-N 1 2 402.499 0.267 20 0 HCADLO CN(C)C(=O)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000498227143 1078413596 /nfs/dbraw/zinc/41/35/96/1078413596.db2.gz HOOHPOLTUGYGJE-HNNXBMFYSA-N 1 2 402.499 0.267 20 0 HCADLO CN(C)C(=O)C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000498227148 1078413495 /nfs/dbraw/zinc/41/34/95/1078413495.db2.gz HOOHPOLTUGYGJE-OAHLLOKOSA-N 1 2 402.499 0.267 20 0 HCADLO CN(C)C(=O)C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000498227148 1078413491 /nfs/dbraw/zinc/41/34/91/1078413491.db2.gz HOOHPOLTUGYGJE-OAHLLOKOSA-N 1 2 402.499 0.267 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN(c4cnccn4)CC3)ccn2)CC1 ZINC000498227717 1078413912 /nfs/dbraw/zinc/41/39/12/1078413912.db2.gz UTXRLJADBWMRFE-UHFFFAOYSA-N 1 2 410.482 0.613 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn(CCF)c1 ZINC000498227767 1078413922 /nfs/dbraw/zinc/41/39/22/1078413922.db2.gz JOXYVJALEHAQTR-INIZCTEOSA-N 1 2 403.462 0.878 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cnn(CCF)c1 ZINC000498227767 1078413920 /nfs/dbraw/zinc/41/39/20/1078413920.db2.gz JOXYVJALEHAQTR-INIZCTEOSA-N 1 2 403.462 0.878 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn(CCF)c1 ZINC000498227773 1078413907 /nfs/dbraw/zinc/41/39/07/1078413907.db2.gz JOXYVJALEHAQTR-MRXNPFEDSA-N 1 2 403.462 0.878 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cnn(CCF)c1 ZINC000498227773 1078413905 /nfs/dbraw/zinc/41/39/05/1078413905.db2.gz JOXYVJALEHAQTR-MRXNPFEDSA-N 1 2 403.462 0.878 20 0 HCADLO Nc1nc(C2CC2)ncc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498228829 1078418968 /nfs/dbraw/zinc/41/89/68/1078418968.db2.gz PAYBOZPNSZVDSK-HNNXBMFYSA-N 1 2 424.509 0.962 20 0 HCADLO Nc1nc(C2CC2)ncc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498228829 1078418967 /nfs/dbraw/zinc/41/89/67/1078418967.db2.gz PAYBOZPNSZVDSK-HNNXBMFYSA-N 1 2 424.509 0.962 20 0 HCADLO Nc1nc(C2CC2)ncc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498228834 1078418954 /nfs/dbraw/zinc/41/89/54/1078418954.db2.gz PAYBOZPNSZVDSK-OAHLLOKOSA-N 1 2 424.509 0.962 20 0 HCADLO Nc1nc(C2CC2)ncc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498228834 1078418952 /nfs/dbraw/zinc/41/89/52/1078418952.db2.gz PAYBOZPNSZVDSK-OAHLLOKOSA-N 1 2 424.509 0.962 20 0 HCADLO CNc1nc(C)cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000498229115 1078418609 /nfs/dbraw/zinc/41/86/09/1078418609.db2.gz RFPUFAZWPHNWDR-HNNXBMFYSA-N 1 2 412.498 0.852 20 0 HCADLO CNc1nc(C)cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000498229115 1078418606 /nfs/dbraw/zinc/41/86/06/1078418606.db2.gz RFPUFAZWPHNWDR-HNNXBMFYSA-N 1 2 412.498 0.852 20 0 HCADLO CNc1nc(C)cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000498229116 1078418571 /nfs/dbraw/zinc/41/85/71/1078418571.db2.gz RFPUFAZWPHNWDR-OAHLLOKOSA-N 1 2 412.498 0.852 20 0 HCADLO CNc1nc(C)cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000498229116 1078418568 /nfs/dbraw/zinc/41/85/68/1078418568.db2.gz RFPUFAZWPHNWDR-OAHLLOKOSA-N 1 2 412.498 0.852 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC(=O)NCC(F)(F)F)ccn2)CC1 ZINC000498230220 1078419602 /nfs/dbraw/zinc/41/96/02/1078419602.db2.gz XEFQVPZXHWRCLN-UHFFFAOYSA-N 1 2 402.377 0.269 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOC2(CCC2)C1 ZINC000498231239 1078421005 /nfs/dbraw/zinc/42/10/05/1078421005.db2.gz IVBDBMHHFIPYKW-UHFFFAOYSA-N 1 2 423.539 0.498 20 0 HCADLO CNC(=O)CC1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000498233477 1078423517 /nfs/dbraw/zinc/42/35/17/1078423517.db2.gz PPVCLORQOLSTRJ-UHFFFAOYSA-N 1 2 402.499 0.849 20 0 HCADLO COc1cc(NC(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)cc(S(C)(=O)=O)c1 ZINC000498245076 1078428247 /nfs/dbraw/zinc/42/82/47/1078428247.db2.gz NFWLXKQZTVCIOD-UHFFFAOYSA-N 1 2 406.464 0.886 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000498258178 1078443193 /nfs/dbraw/zinc/44/31/93/1078443193.db2.gz KOKKFLOEIFUOPD-UHFFFAOYSA-N 1 2 413.459 0.834 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000498258234 1078442893 /nfs/dbraw/zinc/44/28/93/1078442893.db2.gz LFGIIVFHFVJLKS-UHFFFAOYSA-N 1 2 413.459 0.834 20 0 HCADLO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000498258364 1078443156 /nfs/dbraw/zinc/44/31/56/1078443156.db2.gz LNHQXHZOFZIUKP-KRWDZBQOSA-N 1 2 402.476 0.788 20 0 HCADLO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000498258364 1078443153 /nfs/dbraw/zinc/44/31/53/1078443153.db2.gz LNHQXHZOFZIUKP-KRWDZBQOSA-N 1 2 402.476 0.788 20 0 HCADLO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000498258365 1078442290 /nfs/dbraw/zinc/44/22/90/1078442290.db2.gz LNHQXHZOFZIUKP-QGZVFWFLSA-N 1 2 402.476 0.788 20 0 HCADLO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000498258365 1078442288 /nfs/dbraw/zinc/44/22/88/1078442288.db2.gz LNHQXHZOFZIUKP-QGZVFWFLSA-N 1 2 402.476 0.788 20 0 HCADLO COCc1ncc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c(N)n1 ZINC000498280833 1078460595 /nfs/dbraw/zinc/46/05/95/1078460595.db2.gz HDRJMPVCVLQCNA-HNNXBMFYSA-N 1 2 401.467 0.403 20 0 HCADLO COCc1ncc(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c(N)n1 ZINC000498280834 1078460631 /nfs/dbraw/zinc/46/06/31/1078460631.db2.gz HDRJMPVCVLQCNA-OAHLLOKOSA-N 1 2 401.467 0.403 20 0 HCADLO Nc1nc(C2CCCC2)ncc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000498290204 1078460266 /nfs/dbraw/zinc/46/02/66/1078460266.db2.gz YGCUMCZZVDZHRY-OAHLLOKOSA-N 1 2 402.499 0.379 20 0 HCADLO CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000498342833 1078532711 /nfs/dbraw/zinc/53/27/11/1078532711.db2.gz HPXZRPDZUUXHCA-UHFFFAOYSA-N 1 2 407.496 0.962 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000498353268 1078531234 /nfs/dbraw/zinc/53/12/34/1078531234.db2.gz KNWFEDBAFVZYKE-QAPCUYQASA-N 1 2 413.540 0.835 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000498353269 1078531052 /nfs/dbraw/zinc/53/10/52/1078531052.db2.gz KNWFEDBAFVZYKE-YJBOKZPZSA-N 1 2 413.540 0.835 20 0 HCADLO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000498359840 1078539132 /nfs/dbraw/zinc/53/91/32/1078539132.db2.gz UBNPUXJPJJYRTC-YOEHRIQHSA-N 1 2 401.504 0.966 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000498362453 1078539516 /nfs/dbraw/zinc/53/95/16/1078539516.db2.gz GCPPLGFVNRBFGY-AWEZNQCLSA-N 1 2 417.553 0.148 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000498362454 1078539534 /nfs/dbraw/zinc/53/95/34/1078539534.db2.gz GCPPLGFVNRBFGY-CQSZACIVSA-N 1 2 417.553 0.148 20 0 HCADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC000498367294 1078543645 /nfs/dbraw/zinc/54/36/45/1078543645.db2.gz KQNVKQZJKBZDDQ-CVEARBPZSA-N 1 2 419.530 0.766 20 0 HCADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000498367294 1078543638 /nfs/dbraw/zinc/54/36/38/1078543638.db2.gz KQNVKQZJKBZDDQ-CVEARBPZSA-N 1 2 419.530 0.766 20 0 HCADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC000498367295 1078543773 /nfs/dbraw/zinc/54/37/73/1078543773.db2.gz KQNVKQZJKBZDDQ-HOTGVXAUSA-N 1 2 419.530 0.766 20 0 HCADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000498367295 1078543768 /nfs/dbraw/zinc/54/37/68/1078543768.db2.gz KQNVKQZJKBZDDQ-HOTGVXAUSA-N 1 2 419.530 0.766 20 0 HCADLO CC[C@H](C(=O)OC)N1CCN(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC000498367296 1078543918 /nfs/dbraw/zinc/54/39/18/1078543918.db2.gz KQNVKQZJKBZDDQ-HZPDHXFCSA-N 1 2 419.530 0.766 20 0 HCADLO CC[C@H](C(=O)OC)N1CCN(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000498367296 1078543908 /nfs/dbraw/zinc/54/39/08/1078543908.db2.gz KQNVKQZJKBZDDQ-HZPDHXFCSA-N 1 2 419.530 0.766 20 0 HCADLO CC[C@H](C(=O)OC)N1CCN(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC000498367297 1078543752 /nfs/dbraw/zinc/54/37/52/1078543752.db2.gz KQNVKQZJKBZDDQ-JKSUJKDBSA-N 1 2 419.530 0.766 20 0 HCADLO CC[C@H](C(=O)OC)N1CCN(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000498367297 1078543744 /nfs/dbraw/zinc/54/37/44/1078543744.db2.gz KQNVKQZJKBZDDQ-JKSUJKDBSA-N 1 2 419.530 0.766 20 0 HCADLO CCc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000498367323 1078543941 /nfs/dbraw/zinc/54/39/41/1078543941.db2.gz KWIKKWGOLKGRTI-UHFFFAOYSA-N 1 2 411.524 0.020 20 0 HCADLO COc1cc(N2C[C@H](C(=O)N3CC[NH+](CCO)CC3)CC2=O)cc(OC)c1OC ZINC000498367712 1078543679 /nfs/dbraw/zinc/54/36/79/1078543679.db2.gz PFEQKOUKFOJPAY-CQSZACIVSA-N 1 2 407.467 0.202 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000498376086 1078553105 /nfs/dbraw/zinc/55/31/05/1078553105.db2.gz XVTVQUVXKNNLGG-ROUUACIJSA-N 1 2 412.490 0.605 20 0 HCADLO CN1CC(=O)N(CCCC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1=O ZINC000498390096 1078562292 /nfs/dbraw/zinc/56/22/92/1078562292.db2.gz LMPQKFUWHJXWBD-UHFFFAOYSA-N 1 2 401.467 0.104 20 0 HCADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)ccc1S(C)(=O)=O ZINC000498427633 1078592597 /nfs/dbraw/zinc/59/25/97/1078592597.db2.gz MVHZXRGRUREUCV-UHFFFAOYSA-N 1 2 411.524 0.906 20 0 HCADLO Cc1cccc2[nH]c(CNC(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)nc21 ZINC000498428799 1078594214 /nfs/dbraw/zinc/59/42/14/1078594214.db2.gz SMBBKPGYIGGDGO-UHFFFAOYSA-N 1 2 411.466 0.655 20 0 HCADLO CCN1CC[NH+](C[C@@H](C)CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000498434605 1078604274 /nfs/dbraw/zinc/60/42/74/1078604274.db2.gz IOEUZLTUCMRFOG-INIZCTEOSA-N 1 2 413.522 0.648 20 0 HCADLO CCN1CC[NH+](C[C@H](C)CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000498434606 1078604331 /nfs/dbraw/zinc/60/43/31/1078604331.db2.gz IOEUZLTUCMRFOG-MRXNPFEDSA-N 1 2 413.522 0.648 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)Nc1cccnc1OCC(F)F ZINC000498437755 1078596352 /nfs/dbraw/zinc/59/63/52/1078596352.db2.gz AMEZBHCZTOSITO-UHFFFAOYSA-N 1 2 424.408 0.831 20 0 HCADLO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1S(C)(=O)=O ZINC000498441869 1078609223 /nfs/dbraw/zinc/60/92/23/1078609223.db2.gz HGBKFANFSABPMX-INIZCTEOSA-N 1 2 411.524 0.810 20 0 HCADLO Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)ccc1S(C)(=O)=O ZINC000498441871 1078609421 /nfs/dbraw/zinc/60/94/21/1078609421.db2.gz HGBKFANFSABPMX-MRXNPFEDSA-N 1 2 411.524 0.810 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000498448684 1078616007 /nfs/dbraw/zinc/61/60/07/1078616007.db2.gz JEPNVWSZPLDQAX-GFCCVEGCSA-N 1 2 414.409 0.760 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000498448685 1078615887 /nfs/dbraw/zinc/61/58/87/1078615887.db2.gz JEPNVWSZPLDQAX-LBPRGKRZSA-N 1 2 414.409 0.760 20 0 HCADLO CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[NH+](CCOC)CC3)cc(C3CC3)nc21 ZINC000498451843 1078606320 /nfs/dbraw/zinc/60/63/20/1078606320.db2.gz ANCFPKFBOUPQNK-UHFFFAOYSA-N 1 2 401.467 0.799 20 0 HCADLO O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498454877 1078619860 /nfs/dbraw/zinc/61/98/60/1078619860.db2.gz PHMGSIGWILIZJE-CVEARBPZSA-N 1 2 412.490 0.329 20 0 HCADLO O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498454878 1078620249 /nfs/dbraw/zinc/62/02/49/1078620249.db2.gz PHMGSIGWILIZJE-HOTGVXAUSA-N 1 2 412.490 0.329 20 0 HCADLO O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498454879 1078620151 /nfs/dbraw/zinc/62/01/51/1078620151.db2.gz PHMGSIGWILIZJE-HZPDHXFCSA-N 1 2 412.490 0.329 20 0 HCADLO O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498454880 1078619888 /nfs/dbraw/zinc/61/98/88/1078619888.db2.gz PHMGSIGWILIZJE-JKSUJKDBSA-N 1 2 412.490 0.329 20 0 HCADLO COCC[NH+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1 ZINC000498454914 1078620800 /nfs/dbraw/zinc/62/08/00/1078620800.db2.gz QCHJZDJLOBVZPN-UHFFFAOYSA-N 1 2 402.451 0.285 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000498458324 1078623019 /nfs/dbraw/zinc/62/30/19/1078623019.db2.gz UCKYSJLTKJDRHY-UHFFFAOYSA-N 1 2 401.467 0.233 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000498458324 1078623005 /nfs/dbraw/zinc/62/30/05/1078623005.db2.gz UCKYSJLTKJDRHY-UHFFFAOYSA-N 1 2 401.467 0.233 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)CC1 ZINC000498458673 1078622286 /nfs/dbraw/zinc/62/22/86/1078622286.db2.gz WOSOVAGABJFQIS-UHFFFAOYSA-N 1 2 402.499 0.999 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)CC1 ZINC000498458673 1078622276 /nfs/dbraw/zinc/62/22/76/1078622276.db2.gz WOSOVAGABJFQIS-UHFFFAOYSA-N 1 2 402.499 0.999 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000498460173 1078624767 /nfs/dbraw/zinc/62/47/67/1078624767.db2.gz ASWJUBGTFJCSFZ-UHFFFAOYSA-N 1 2 402.542 0.412 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000498460173 1078624761 /nfs/dbraw/zinc/62/47/61/1078624761.db2.gz ASWJUBGTFJCSFZ-UHFFFAOYSA-N 1 2 402.542 0.412 20 0 HCADLO CC(C)[C@H](CNC(=O)CNC(=O)c1cnc2ccccc2c1O)N1CC[NH+](C)CC1 ZINC000498461802 1078625449 /nfs/dbraw/zinc/62/54/49/1078625449.db2.gz HFTQCRUBVORUGH-IBGZPJMESA-N 1 2 413.522 0.646 20 0 HCADLO CC(C)[C@@H](CNC(=O)CNC(=O)c1cnc2ccccc2c1O)N1CC[NH+](C)CC1 ZINC000498461803 1078625260 /nfs/dbraw/zinc/62/52/60/1078625260.db2.gz HFTQCRUBVORUGH-LJQANCHMSA-N 1 2 413.522 0.646 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000498463020 1078626615 /nfs/dbraw/zinc/62/66/15/1078626615.db2.gz CSODUDUIORPOFG-UHFFFAOYSA-N 1 2 416.482 0.050 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000498463020 1078626612 /nfs/dbraw/zinc/62/66/12/1078626612.db2.gz CSODUDUIORPOFG-UHFFFAOYSA-N 1 2 416.482 0.050 20 0 HCADLO NS(=O)(=O)Cc1cccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000498466200 1078630181 /nfs/dbraw/zinc/63/01/81/1078630181.db2.gz UEFNCBHVELDOJQ-UHFFFAOYSA-N 1 2 408.524 0.245 20 0 HCADLO NS(=O)(=O)Cc1cccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000498466200 1078630171 /nfs/dbraw/zinc/63/01/71/1078630171.db2.gz UEFNCBHVELDOJQ-UHFFFAOYSA-N 1 2 408.524 0.245 20 0 HCADLO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)C[C@@H]1C ZINC000498468690 1078631995 /nfs/dbraw/zinc/63/19/95/1078631995.db2.gz VEUFGKJIQNFVPT-HNNXBMFYSA-N 1 2 411.524 0.906 20 0 HCADLO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)C[C@@H]1C ZINC000498468690 1078631987 /nfs/dbraw/zinc/63/19/87/1078631987.db2.gz VEUFGKJIQNFVPT-HNNXBMFYSA-N 1 2 411.524 0.906 20 0 HCADLO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)C[C@H]1C ZINC000498468692 1078631940 /nfs/dbraw/zinc/63/19/40/1078631940.db2.gz VEUFGKJIQNFVPT-OAHLLOKOSA-N 1 2 411.524 0.906 20 0 HCADLO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)C[C@H]1C ZINC000498468692 1078631933 /nfs/dbraw/zinc/63/19/33/1078631933.db2.gz VEUFGKJIQNFVPT-OAHLLOKOSA-N 1 2 411.524 0.906 20 0 HCADLO Cc1cccc2[nH]c(CNC(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)nc21 ZINC000498470291 1078633207 /nfs/dbraw/zinc/63/32/07/1078633207.db2.gz KOZOONMRAAETTO-UHFFFAOYSA-N 1 2 411.466 0.655 20 0 HCADLO NS(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cs1 ZINC000498470525 1078633136 /nfs/dbraw/zinc/63/31/36/1078633136.db2.gz ZTFMLWDJKZKBCP-UHFFFAOYSA-N 1 2 400.526 0.166 20 0 HCADLO NS(=O)(=O)c1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cs1 ZINC000498470525 1078633132 /nfs/dbraw/zinc/63/31/32/1078633132.db2.gz ZTFMLWDJKZKBCP-UHFFFAOYSA-N 1 2 400.526 0.166 20 0 HCADLO COCC[NH+]1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000498472714 1078633782 /nfs/dbraw/zinc/63/37/82/1078633782.db2.gz VAWDSKALIMNGQX-UHFFFAOYSA-N 1 2 401.442 0.950 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC000498473391 1078634954 /nfs/dbraw/zinc/63/49/54/1078634954.db2.gz WZMPZXMUZSEKIU-UHFFFAOYSA-N 1 2 410.540 0.491 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC000498473391 1078634941 /nfs/dbraw/zinc/63/49/41/1078634941.db2.gz WZMPZXMUZSEKIU-UHFFFAOYSA-N 1 2 410.540 0.491 20 0 HCADLO COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1Oc1ccc(C)nn1 ZINC000498479447 1078637855 /nfs/dbraw/zinc/63/78/55/1078637855.db2.gz KUIGLIPMPOGWGC-HNNXBMFYSA-N 1 2 415.450 0.971 20 0 HCADLO COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1Oc1ccc(C)nn1 ZINC000498479447 1078637849 /nfs/dbraw/zinc/63/78/49/1078637849.db2.gz KUIGLIPMPOGWGC-HNNXBMFYSA-N 1 2 415.450 0.971 20 0 HCADLO COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1Oc1ccc(C)nn1 ZINC000498479448 1078637957 /nfs/dbraw/zinc/63/79/57/1078637957.db2.gz KUIGLIPMPOGWGC-OAHLLOKOSA-N 1 2 415.450 0.971 20 0 HCADLO COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1Oc1ccc(C)nn1 ZINC000498479448 1078637951 /nfs/dbraw/zinc/63/79/51/1078637951.db2.gz KUIGLIPMPOGWGC-OAHLLOKOSA-N 1 2 415.450 0.971 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000498484365 1078642574 /nfs/dbraw/zinc/64/25/74/1078642574.db2.gz LZOHIJUTCXXHFD-CYBMUJFWSA-N 1 2 410.833 0.980 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000498484365 1078642572 /nfs/dbraw/zinc/64/25/72/1078642572.db2.gz LZOHIJUTCXXHFD-CYBMUJFWSA-N 1 2 410.833 0.980 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000498484366 1078642433 /nfs/dbraw/zinc/64/24/33/1078642433.db2.gz LZOHIJUTCXXHFD-ZDUSSCGKSA-N 1 2 410.833 0.980 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1=O ZINC000498484366 1078642426 /nfs/dbraw/zinc/64/24/26/1078642426.db2.gz LZOHIJUTCXXHFD-ZDUSSCGKSA-N 1 2 410.833 0.980 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000498498365 1078662298 /nfs/dbraw/zinc/66/22/98/1078662298.db2.gz VFRMQLUQLXAZHC-GOEBONIOSA-N 1 2 414.528 0.672 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000498498369 1078662389 /nfs/dbraw/zinc/66/23/89/1078662389.db2.gz VFRMQLUQLXAZHC-HOCLYGCPSA-N 1 2 414.528 0.672 20 0 HCADLO O=C(NCc1ccnc2ccnn21)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000498498716 1078660896 /nfs/dbraw/zinc/66/08/96/1078660896.db2.gz WSNLMOUQTULCMB-GOSISDBHSA-N 1 2 410.478 0.996 20 0 HCADLO O=C(NCc1ccnc2ccnn21)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000498498717 1078661257 /nfs/dbraw/zinc/66/12/57/1078661257.db2.gz WSNLMOUQTULCMB-SFHVURJKSA-N 1 2 410.478 0.996 20 0 HCADLO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000498499097 1078665339 /nfs/dbraw/zinc/66/53/39/1078665339.db2.gz YAPVEWDSNKIUTE-KRWDZBQOSA-N 1 2 414.510 0.749 20 0 HCADLO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000498499099 1078665243 /nfs/dbraw/zinc/66/52/43/1078665243.db2.gz YAPVEWDSNKIUTE-QGZVFWFLSA-N 1 2 414.510 0.749 20 0 HCADLO O=C(CNCC(F)(F)F)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498499482 1078663508 /nfs/dbraw/zinc/66/35/08/1078663508.db2.gz ZWKNRZWZGCNSPE-CYBMUJFWSA-N 1 2 402.421 0.550 20 0 HCADLO O=C(CNCC(F)(F)F)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498499482 1078663502 /nfs/dbraw/zinc/66/35/02/1078663502.db2.gz ZWKNRZWZGCNSPE-CYBMUJFWSA-N 1 2 402.421 0.550 20 0 HCADLO O=C(CNCC(F)(F)F)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498499483 1078663372 /nfs/dbraw/zinc/66/33/72/1078663372.db2.gz ZWKNRZWZGCNSPE-ZDUSSCGKSA-N 1 2 402.421 0.550 20 0 HCADLO O=C(CNCC(F)(F)F)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498499483 1078663365 /nfs/dbraw/zinc/66/33/65/1078663365.db2.gz ZWKNRZWZGCNSPE-ZDUSSCGKSA-N 1 2 402.421 0.550 20 0 HCADLO CC[C@@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@@H](O)C(F)(F)F ZINC000498499768 1078662328 /nfs/dbraw/zinc/66/23/28/1078662328.db2.gz BPOHWSDGKWDAJG-BXUZGUMPSA-N 1 2 404.389 0.983 20 0 HCADLO CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@H](O)C(F)(F)F ZINC000498499770 1078662962 /nfs/dbraw/zinc/66/29/62/1078662962.db2.gz BPOHWSDGKWDAJG-FZMZJTMJSA-N 1 2 404.389 0.983 20 0 HCADLO CC[C@@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@H](O)C(F)(F)F ZINC000498499771 1078662918 /nfs/dbraw/zinc/66/29/18/1078662918.db2.gz BPOHWSDGKWDAJG-RISCZKNCSA-N 1 2 404.389 0.983 20 0 HCADLO CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@@H](O)C(F)(F)F ZINC000498499772 1078662883 /nfs/dbraw/zinc/66/28/83/1078662883.db2.gz BPOHWSDGKWDAJG-SMDDNHRTSA-N 1 2 404.389 0.983 20 0 HCADLO CSc1nc(C)c(CCC(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000498505219 1078669971 /nfs/dbraw/zinc/66/99/71/1078669971.db2.gz SRAVWPDDCMGCBP-HNNXBMFYSA-N 1 2 407.540 0.910 20 0 HCADLO CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000498505229 1078670810 /nfs/dbraw/zinc/67/08/10/1078670810.db2.gz SRAVWPDDCMGCBP-OAHLLOKOSA-N 1 2 407.540 0.910 20 0 HCADLO Cn1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000498532380 1078703130 /nfs/dbraw/zinc/70/31/30/1078703130.db2.gz BQWDEQGBDMTBRS-INIZCTEOSA-N 1 2 400.487 0.515 20 0 HCADLO Cn1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000498532380 1078703123 /nfs/dbraw/zinc/70/31/23/1078703123.db2.gz BQWDEQGBDMTBRS-INIZCTEOSA-N 1 2 400.487 0.515 20 0 HCADLO Cn1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000498532381 1078702937 /nfs/dbraw/zinc/70/29/37/1078702937.db2.gz BQWDEQGBDMTBRS-MRXNPFEDSA-N 1 2 400.487 0.515 20 0 HCADLO Cn1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000498532381 1078702927 /nfs/dbraw/zinc/70/29/27/1078702927.db2.gz BQWDEQGBDMTBRS-MRXNPFEDSA-N 1 2 400.487 0.515 20 0 HCADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498537831 1078700468 /nfs/dbraw/zinc/70/04/68/1078700468.db2.gz AAANJCXMTYEMOC-CVEARBPZSA-N 1 2 417.514 0.060 20 0 HCADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498537831 1078700462 /nfs/dbraw/zinc/70/04/62/1078700462.db2.gz AAANJCXMTYEMOC-CVEARBPZSA-N 1 2 417.514 0.060 20 0 HCADLO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498537834 1078700238 /nfs/dbraw/zinc/70/02/38/1078700238.db2.gz AAANJCXMTYEMOC-HOTGVXAUSA-N 1 2 417.514 0.060 20 0 HCADLO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498537834 1078700226 /nfs/dbraw/zinc/70/02/26/1078700226.db2.gz AAANJCXMTYEMOC-HOTGVXAUSA-N 1 2 417.514 0.060 20 0 HCADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498537836 1078700447 /nfs/dbraw/zinc/70/04/47/1078700447.db2.gz AAANJCXMTYEMOC-HZPDHXFCSA-N 1 2 417.514 0.060 20 0 HCADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498537836 1078700440 /nfs/dbraw/zinc/70/04/40/1078700440.db2.gz AAANJCXMTYEMOC-HZPDHXFCSA-N 1 2 417.514 0.060 20 0 HCADLO CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498537838 1078700397 /nfs/dbraw/zinc/70/03/97/1078700397.db2.gz AAANJCXMTYEMOC-JKSUJKDBSA-N 1 2 417.514 0.060 20 0 HCADLO CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498537838 1078700390 /nfs/dbraw/zinc/70/03/90/1078700390.db2.gz AAANJCXMTYEMOC-JKSUJKDBSA-N 1 2 417.514 0.060 20 0 HCADLO CC1(C)CCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498539592 1078708793 /nfs/dbraw/zinc/70/87/93/1078708793.db2.gz JXQQVWKXVSPLLJ-INIZCTEOSA-N 1 2 416.526 0.657 20 0 HCADLO CC1(C)CCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498539592 1078708786 /nfs/dbraw/zinc/70/87/86/1078708786.db2.gz JXQQVWKXVSPLLJ-INIZCTEOSA-N 1 2 416.526 0.657 20 0 HCADLO CC1(C)CCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498539593 1078708632 /nfs/dbraw/zinc/70/86/32/1078708632.db2.gz JXQQVWKXVSPLLJ-MRXNPFEDSA-N 1 2 416.526 0.657 20 0 HCADLO CC1(C)CCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498539593 1078708623 /nfs/dbraw/zinc/70/86/23/1078708623.db2.gz JXQQVWKXVSPLLJ-MRXNPFEDSA-N 1 2 416.526 0.657 20 0 HCADLO NC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000498552221 1078717933 /nfs/dbraw/zinc/71/79/33/1078717933.db2.gz DIASKIBIRFSTMR-UHFFFAOYSA-N 1 2 417.491 0.198 20 0 HCADLO Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)sn1 ZINC000498552391 1073483068 /nfs/dbraw/zinc/48/30/68/1073483068.db2.gz FMLUMAJLQXZXGV-UHFFFAOYSA-N 1 2 402.480 0.640 20 0 HCADLO COc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000498552704 1078718068 /nfs/dbraw/zinc/71/80/68/1078718068.db2.gz HCAFHQKYCNQEMG-UHFFFAOYSA-N 1 2 412.450 0.279 20 0 HCADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000498558135 1078730446 /nfs/dbraw/zinc/73/04/46/1078730446.db2.gz DDXNUFPPOIZDGF-CALCHBBNSA-N 1 2 409.556 0.933 20 0 HCADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000498558136 1078730350 /nfs/dbraw/zinc/73/03/50/1078730350.db2.gz DDXNUFPPOIZDGF-IAGOWNOFSA-N 1 2 409.556 0.933 20 0 HCADLO C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000498558138 1078730491 /nfs/dbraw/zinc/73/04/91/1078730491.db2.gz DDXNUFPPOIZDGF-IRXDYDNUSA-N 1 2 409.556 0.933 20 0 HCADLO C[C@H]1CN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000498561771 1073498137 /nfs/dbraw/zinc/49/81/37/1073498137.db2.gz ABVHTGRLNUJUSP-HOTGVXAUSA-N 1 2 411.528 0.064 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000498561774 1073497921 /nfs/dbraw/zinc/49/79/21/1073497921.db2.gz ABVHTGRLNUJUSP-HZPDHXFCSA-N 1 2 411.528 0.064 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000498561775 1073498425 /nfs/dbraw/zinc/49/84/25/1073498425.db2.gz ABVHTGRLNUJUSP-IYBDPMFKSA-N 1 2 411.528 0.064 20 0 HCADLO C[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N(C)CC(F)(F)F ZINC000498562667 1078724067 /nfs/dbraw/zinc/72/40/67/1078724067.db2.gz WJIUQWPMJZKKCR-AWEZNQCLSA-N 1 2 416.448 0.844 20 0 HCADLO C[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)N(C)CC(F)(F)F ZINC000498562667 1078724062 /nfs/dbraw/zinc/72/40/62/1078724062.db2.gz WJIUQWPMJZKKCR-AWEZNQCLSA-N 1 2 416.448 0.844 20 0 HCADLO C[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N(C)CC(F)(F)F ZINC000498562668 1078724173 /nfs/dbraw/zinc/72/41/73/1078724173.db2.gz WJIUQWPMJZKKCR-CQSZACIVSA-N 1 2 416.448 0.844 20 0 HCADLO C[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)N(C)CC(F)(F)F ZINC000498562668 1078724168 /nfs/dbraw/zinc/72/41/68/1078724168.db2.gz WJIUQWPMJZKKCR-CQSZACIVSA-N 1 2 416.448 0.844 20 0 HCADLO Cc1nn(C)c(C)c1S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498563467 1073499489 /nfs/dbraw/zinc/49/94/89/1073499489.db2.gz NCSPVPNRZBOGPI-UHFFFAOYSA-N 1 2 406.512 0.449 20 0 HCADLO NC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000498563629 1078726674 /nfs/dbraw/zinc/72/66/74/1078726674.db2.gz OBYHDSHVWQIGHR-UHFFFAOYSA-N 1 2 417.491 0.198 20 0 HCADLO N[C@](C(=O)N1CC[NH+](CCn2cncn2)CC1)(c1cccc(F)c1)C(F)(F)F ZINC000498573091 1078733223 /nfs/dbraw/zinc/73/32/23/1078733223.db2.gz YGSZNOYUQJRXFU-INIZCTEOSA-N 1 2 400.380 0.978 20 0 HCADLO N[C@@](C(=O)N1CC[NH+](CCn2cncn2)CC1)(c1cccc(F)c1)C(F)(F)F ZINC000498573092 1078733273 /nfs/dbraw/zinc/73/32/73/1078733273.db2.gz YGSZNOYUQJRXFU-MRXNPFEDSA-N 1 2 400.380 0.978 20 0 HCADLO O=C(CCNC(=O)c1nc2ccccc2c(=O)[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498576732 1078735669 /nfs/dbraw/zinc/73/56/69/1078735669.db2.gz LXTNMPNXXRKNCI-UHFFFAOYSA-N 1 2 406.446 0.787 20 0 HCADLO O=C(C1CN(CC(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498576948 1073560315 /nfs/dbraw/zinc/56/03/15/1073560315.db2.gz LXDYROMOPATOTA-UHFFFAOYSA-N 1 2 414.432 0.456 20 0 HCADLO O=C(C1CN(CC(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498576948 1073560309 /nfs/dbraw/zinc/56/03/09/1073560309.db2.gz LXDYROMOPATOTA-UHFFFAOYSA-N 1 2 414.432 0.456 20 0 HCADLO O=C(C1CCN(CC(F)F)CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498581050 1078742591 /nfs/dbraw/zinc/74/25/91/1078742591.db2.gz SEFLSDWQMYLMFI-UHFFFAOYSA-N 1 2 424.496 0.939 20 0 HCADLO O=C(C1CCN(CC(F)F)CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498581050 1078742585 /nfs/dbraw/zinc/74/25/85/1078742585.db2.gz SEFLSDWQMYLMFI-UHFFFAOYSA-N 1 2 424.496 0.939 20 0 HCADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000498611844 1078768317 /nfs/dbraw/zinc/76/83/17/1078768317.db2.gz ATAYSOAVCBMBPS-INIZCTEOSA-N 1 2 412.494 0.870 20 0 HCADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000498611846 1078768215 /nfs/dbraw/zinc/76/82/15/1078768215.db2.gz ATAYSOAVCBMBPS-MRXNPFEDSA-N 1 2 412.494 0.870 20 0 HCADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000498614210 1078764987 /nfs/dbraw/zinc/76/49/87/1078764987.db2.gz IXZLEDDYHSVUMX-UHFFFAOYSA-N 1 2 409.450 0.712 20 0 HCADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1)N1CCCC1 ZINC000498614234 1078764965 /nfs/dbraw/zinc/76/49/65/1078764965.db2.gz QLWPSEGKOWTWSJ-UHFFFAOYSA-N 1 2 424.505 0.968 20 0 HCADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1)N1CCCC1 ZINC000498614234 1078764962 /nfs/dbraw/zinc/76/49/62/1078764962.db2.gz QLWPSEGKOWTWSJ-UHFFFAOYSA-N 1 2 424.505 0.968 20 0 HCADLO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000498614823 1078764934 /nfs/dbraw/zinc/76/49/34/1078764934.db2.gz KYZKRDRSEUSJTN-AWEZNQCLSA-N 1 2 405.480 0.599 20 0 HCADLO CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000498614824 1078764903 /nfs/dbraw/zinc/76/49/03/1078764903.db2.gz KYZKRDRSEUSJTN-CQSZACIVSA-N 1 2 405.480 0.599 20 0 HCADLO CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000498617461 1078772195 /nfs/dbraw/zinc/77/21/95/1078772195.db2.gz POMDDCVJTGTMMO-UHFFFAOYSA-N 1 2 405.480 0.741 20 0 HCADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000498617857 1078771834 /nfs/dbraw/zinc/77/18/34/1078771834.db2.gz UAPVTYVYLYINSY-UHFFFAOYSA-N 1 2 412.450 0.006 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498622139 1078770070 /nfs/dbraw/zinc/77/00/70/1078770070.db2.gz WSDOJAJORSMZIP-KRWDZBQOSA-N 1 2 424.571 0.309 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498622142 1078769915 /nfs/dbraw/zinc/76/99/15/1078769915.db2.gz WSDOJAJORSMZIP-QGZVFWFLSA-N 1 2 424.571 0.309 20 0 HCADLO O=C(CN1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1)N1CCCCC1 ZINC000498622372 1078770050 /nfs/dbraw/zinc/77/00/50/1078770050.db2.gz SEFKGVFCGWVVMK-UHFFFAOYSA-N 1 2 424.505 0.968 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12CCCCC2 ZINC000498629109 1078780371 /nfs/dbraw/zinc/78/03/71/1078780371.db2.gz DUXKPMWIGKRNQY-IBGZPJMESA-N 1 2 420.554 0.561 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12CCCCC2 ZINC000498629110 1078780326 /nfs/dbraw/zinc/78/03/26/1078780326.db2.gz DUXKPMWIGKRNQY-LJQANCHMSA-N 1 2 420.554 0.561 20 0 HCADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000498629845 1078780309 /nfs/dbraw/zinc/78/03/09/1078780309.db2.gz BLVVGTQMXAGFKC-UHFFFAOYSA-N 1 2 420.477 0.539 20 0 HCADLO NC(=O)CNC(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000498630478 1078774926 /nfs/dbraw/zinc/77/49/26/1078774926.db2.gz DYUJJNUPUTZWNW-UHFFFAOYSA-N 1 2 420.429 0.342 20 0 HCADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000498637325 1078781939 /nfs/dbraw/zinc/78/19/39/1078781939.db2.gz HNEDVEQMNIPOFO-UHFFFAOYSA-N 1 2 424.461 0.104 20 0 HCADLO O=C(CN1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1)N1CCCC1 ZINC000498640969 1078782506 /nfs/dbraw/zinc/78/25/06/1078782506.db2.gz WSPJUERVQYNJKG-UHFFFAOYSA-N 1 2 410.478 0.577 20 0 HCADLO NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000498643169 1078780916 /nfs/dbraw/zinc/78/09/16/1078780916.db2.gz HPXDSMXUABFPMG-UHFFFAOYSA-N 1 2 413.459 0.817 20 0 HCADLO COCc1cnc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)s1 ZINC000498653917 1078787680 /nfs/dbraw/zinc/78/76/80/1078787680.db2.gz CNEXPFIERJZWOB-AWEZNQCLSA-N 1 2 418.523 0.950 20 0 HCADLO COCc1cnc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)s1 ZINC000498653918 1078787566 /nfs/dbraw/zinc/78/75/66/1078787566.db2.gz CNEXPFIERJZWOB-CQSZACIVSA-N 1 2 418.523 0.950 20 0 HCADLO COCc1csc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000498656105 1078793590 /nfs/dbraw/zinc/79/35/90/1078793590.db2.gz JAZOBMIFSATQBN-AWEZNQCLSA-N 1 2 418.523 0.950 20 0 HCADLO COCc1csc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000498656106 1078793699 /nfs/dbraw/zinc/79/36/99/1078793699.db2.gz JAZOBMIFSATQBN-CQSZACIVSA-N 1 2 418.523 0.950 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)cc2)CC1 ZINC000498657014 1078789841 /nfs/dbraw/zinc/78/98/41/1078789841.db2.gz FOMLLZLLVKVYRX-IBGZPJMESA-N 1 2 413.522 0.596 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)cc2)CC1 ZINC000498657015 1078790067 /nfs/dbraw/zinc/79/00/67/1078790067.db2.gz FOMLLZLLVKVYRX-LJQANCHMSA-N 1 2 413.522 0.596 20 0 HCADLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)C[C@H]1C ZINC000498658908 1078794862 /nfs/dbraw/zinc/79/48/62/1078794862.db2.gz CVIHRVSWOZGSON-CYBMUJFWSA-N 1 2 413.496 0.216 20 0 HCADLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)C[C@H]1C ZINC000498658908 1078794856 /nfs/dbraw/zinc/79/48/56/1078794856.db2.gz CVIHRVSWOZGSON-CYBMUJFWSA-N 1 2 413.496 0.216 20 0 HCADLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)C[C@@H]1C ZINC000498658912 1078794839 /nfs/dbraw/zinc/79/48/39/1078794839.db2.gz CVIHRVSWOZGSON-ZDUSSCGKSA-N 1 2 413.496 0.216 20 0 HCADLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)C[C@@H]1C ZINC000498658912 1078794828 /nfs/dbraw/zinc/79/48/28/1078794828.db2.gz CVIHRVSWOZGSON-ZDUSSCGKSA-N 1 2 413.496 0.216 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000498659567 1078796027 /nfs/dbraw/zinc/79/60/27/1078796027.db2.gz QGNOPHGZZFNBCG-HNNXBMFYSA-N 1 2 422.489 0.590 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000498659571 1078795843 /nfs/dbraw/zinc/79/58/43/1078795843.db2.gz QGNOPHGZZFNBCG-OAHLLOKOSA-N 1 2 422.489 0.590 20 0 HCADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000498675896 1078808681 /nfs/dbraw/zinc/80/86/81/1078808681.db2.gz BMMQYHHHLLFOTP-MSOLQXFVSA-N 1 2 401.511 0.403 20 0 HCADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000498675897 1078808597 /nfs/dbraw/zinc/80/85/97/1078808597.db2.gz BMMQYHHHLLFOTP-QZTJIDSGSA-N 1 2 401.511 0.403 20 0 HCADLO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000498675898 1078808627 /nfs/dbraw/zinc/80/86/27/1078808627.db2.gz BMMQYHHHLLFOTP-ROUUACIJSA-N 1 2 401.511 0.403 20 0 HCADLO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000498675899 1078808588 /nfs/dbraw/zinc/80/85/88/1078808588.db2.gz BMMQYHHHLLFOTP-ZWKOTPCHSA-N 1 2 401.511 0.403 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000498679836 1078817890 /nfs/dbraw/zinc/81/78/90/1078817890.db2.gz RWANKEDQOXHVCE-CRAIPNDOSA-N 1 2 400.479 0.852 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000498679837 1078817978 /nfs/dbraw/zinc/81/79/78/1078817978.db2.gz RWANKEDQOXHVCE-MAUKXSAKSA-N 1 2 400.479 0.852 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000498679838 1078817883 /nfs/dbraw/zinc/81/78/83/1078817883.db2.gz RWANKEDQOXHVCE-QAPCUYQASA-N 1 2 400.479 0.852 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000498679839 1078817945 /nfs/dbraw/zinc/81/79/45/1078817945.db2.gz RWANKEDQOXHVCE-YJBOKZPZSA-N 1 2 400.479 0.852 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1)[NH+]1CCOCC1 ZINC000498680252 1078818500 /nfs/dbraw/zinc/81/85/00/1078818500.db2.gz UPVUOLKDDMIZIX-CVEARBPZSA-N 1 2 418.494 0.070 20 0 HCADLO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000498680253 1078818567 /nfs/dbraw/zinc/81/85/67/1078818567.db2.gz UPVUOLKDDMIZIX-HOTGVXAUSA-N 1 2 418.494 0.070 20 0 HCADLO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000498680254 1078818552 /nfs/dbraw/zinc/81/85/52/1078818552.db2.gz UPVUOLKDDMIZIX-HZPDHXFCSA-N 1 2 418.494 0.070 20 0 HCADLO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000498680255 1078818508 /nfs/dbraw/zinc/81/85/08/1078818508.db2.gz UPVUOLKDDMIZIX-JKSUJKDBSA-N 1 2 418.494 0.070 20 0 HCADLO COCCN1C[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000498688744 1078822830 /nfs/dbraw/zinc/82/28/30/1078822830.db2.gz HWOCRLIJKZLNEA-INIZCTEOSA-N 1 2 402.495 0.701 20 0 HCADLO COCCN1C[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000498688745 1078822789 /nfs/dbraw/zinc/82/27/89/1078822789.db2.gz HWOCRLIJKZLNEA-MRXNPFEDSA-N 1 2 402.495 0.701 20 0 HCADLO CCCCCC(=O)NC1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000498690690 1078823825 /nfs/dbraw/zinc/82/38/25/1078823825.db2.gz RTYMPYKFPORLKK-CYBMUJFWSA-N 1 2 407.515 0.398 20 0 HCADLO CCCCCC(=O)NC1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000498690692 1078823859 /nfs/dbraw/zinc/82/38/59/1078823859.db2.gz RTYMPYKFPORLKK-ZDUSSCGKSA-N 1 2 407.515 0.398 20 0 HCADLO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000498698398 1078831075 /nfs/dbraw/zinc/83/10/75/1078831075.db2.gz QANUFCBXHSSAIA-HNNXBMFYSA-N 1 2 423.473 0.592 20 0 HCADLO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000498698403 1078831439 /nfs/dbraw/zinc/83/14/39/1078831439.db2.gz QANUFCBXHSSAIA-OAHLLOKOSA-N 1 2 423.473 0.592 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000498700526 1078826861 /nfs/dbraw/zinc/82/68/61/1078826861.db2.gz GHGAGVYOSAVQOY-MOPGFXCFSA-N 1 2 415.538 0.794 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000498700527 1078826805 /nfs/dbraw/zinc/82/68/05/1078826805.db2.gz GHGAGVYOSAVQOY-OALUTQOASA-N 1 2 415.538 0.794 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000498700528 1078826827 /nfs/dbraw/zinc/82/68/27/1078826827.db2.gz GHGAGVYOSAVQOY-RBUKOAKNSA-N 1 2 415.538 0.794 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000498700529 1078826766 /nfs/dbraw/zinc/82/67/66/1078826766.db2.gz GHGAGVYOSAVQOY-RTBURBONSA-N 1 2 415.538 0.794 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)O)cc1 ZINC000498701757 1078827479 /nfs/dbraw/zinc/82/74/79/1078827479.db2.gz MMIQQFZBDVWMRI-APWZRJJASA-N 1 2 418.519 0.767 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)O)cc1 ZINC000498701758 1078827521 /nfs/dbraw/zinc/82/75/21/1078827521.db2.gz MMIQQFZBDVWMRI-LPHOPBHVSA-N 1 2 418.519 0.767 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)O)cc1 ZINC000498701759 1078827440 /nfs/dbraw/zinc/82/74/40/1078827440.db2.gz MMIQQFZBDVWMRI-QFBILLFUSA-N 1 2 418.519 0.767 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)O)cc1 ZINC000498701760 1078827499 /nfs/dbraw/zinc/82/74/99/1078827499.db2.gz MMIQQFZBDVWMRI-VQIMIIECSA-N 1 2 418.519 0.767 20 0 HCADLO O=C(NCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000498725199 1078845342 /nfs/dbraw/zinc/84/53/42/1078845342.db2.gz GPEMAMDWQXKIGS-UHFFFAOYSA-N 1 2 403.464 0.044 20 0 HCADLO CN1C(=O)c2ccc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2C1=O ZINC000498727448 1078846103 /nfs/dbraw/zinc/84/61/03/1078846103.db2.gz ILFKHNLKZCKKMM-UHFFFAOYSA-N 1 2 421.457 0.776 20 0 HCADLO O=C(CNC(=O)c1ccsc1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498727573 1078846040 /nfs/dbraw/zinc/84/60/40/1078846040.db2.gz RAFBGQIAWJHBFC-UHFFFAOYSA-N 1 2 401.492 0.728 20 0 HCADLO O=C(CCNC(=O)c1ccnc(-n2cncn2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498731682 1078843572 /nfs/dbraw/zinc/84/35/72/1078843572.db2.gz UECGCVIQOYULEQ-UHFFFAOYSA-N 1 2 406.450 0.526 20 0 HCADLO O=C(CCNC(=O)c1ccc(-n2cnnn2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498733048 1078843848 /nfs/dbraw/zinc/84/38/48/1078843848.db2.gz XBSVOGWFDMKENT-UHFFFAOYSA-N 1 2 406.450 0.526 20 0 HCADLO Cc1ccc2ncc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)n2c1 ZINC000498734453 1078844612 /nfs/dbraw/zinc/84/46/12/1078844612.db2.gz ABACACUCCKYUCB-UHFFFAOYSA-N 1 2 420.473 0.867 20 0 HCADLO O=C(CNC(=O)c1ccc(F)cc1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498735912 1078844988 /nfs/dbraw/zinc/84/49/88/1078844988.db2.gz DXDMOIGJSQWDJJ-UHFFFAOYSA-N 1 2 413.453 0.806 20 0 HCADLO O=C(CNC(=O)Cc1ccccc1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498736922 1078847809 /nfs/dbraw/zinc/84/78/09/1078847809.db2.gz HXGXWCUMXWNPFJ-UHFFFAOYSA-N 1 2 409.490 0.595 20 0 HCADLO O=C(CNC(=O)C1CCCCC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498738775 1078848895 /nfs/dbraw/zinc/84/88/95/1078848895.db2.gz MVQYAMDSNBFLEV-UHFFFAOYSA-N 1 2 401.511 0.933 20 0 HCADLO Cc1nc(C)c(CCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)[nH]1 ZINC000498739217 1078849401 /nfs/dbraw/zinc/84/94/01/1078849401.db2.gz HMICVXYAMPFEFR-UHFFFAOYSA-N 1 2 412.494 0.982 20 0 HCADLO O=C(CCNC(=O)C1CCN(c2cnccn2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498741372 1078849681 /nfs/dbraw/zinc/84/96/81/1078849681.db2.gz YLUINBTWXAZQBK-UHFFFAOYSA-N 1 2 423.521 0.943 20 0 HCADLO O=C(CNC(=O)c1cccs1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498742761 1078850375 /nfs/dbraw/zinc/85/03/75/1078850375.db2.gz CURVFKCCEXYOFF-UHFFFAOYSA-N 1 2 401.492 0.728 20 0 HCADLO NC(=O)COc1ccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000498744307 1078853872 /nfs/dbraw/zinc/85/38/72/1078853872.db2.gz IMGJMSOCNQGNJV-UHFFFAOYSA-N 1 2 411.462 0.414 20 0 HCADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)sn1 ZINC000498744418 1078853897 /nfs/dbraw/zinc/85/38/97/1078853897.db2.gz JJVGOFYSDMYEHM-UHFFFAOYSA-N 1 2 417.495 0.365 20 0 HCADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)sn1 ZINC000498744418 1078853896 /nfs/dbraw/zinc/85/38/96/1078853896.db2.gz JJVGOFYSDMYEHM-UHFFFAOYSA-N 1 2 417.495 0.365 20 0 HCADLO O=C(CCNC(=O)c1ccc(-n2cncn2)nc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498744804 1078853935 /nfs/dbraw/zinc/85/39/35/1078853935.db2.gz LCZBSIIGVZRMFW-UHFFFAOYSA-N 1 2 406.450 0.526 20 0 HCADLO NS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000498745725 1078853830 /nfs/dbraw/zinc/85/38/30/1078853830.db2.gz COXKOKNWCOPPPH-UHFFFAOYSA-N 1 2 423.520 0.259 20 0 HCADLO CSCC[C@H](NC(N)=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498746350 1078854937 /nfs/dbraw/zinc/85/49/37/1078854937.db2.gz OWFWTJBKMPJPHG-AWEZNQCLSA-N 1 2 408.528 0.027 20 0 HCADLO CSCC[C@@H](NC(N)=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498746351 1078854885 /nfs/dbraw/zinc/85/48/85/1078854885.db2.gz OWFWTJBKMPJPHG-CQSZACIVSA-N 1 2 408.528 0.027 20 0 HCADLO O=C(CNC(=O)c1cccc(F)c1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498746691 1078855684 /nfs/dbraw/zinc/85/56/84/1078855684.db2.gz PURZRZVACSNNCZ-UHFFFAOYSA-N 1 2 413.453 0.806 20 0 HCADLO Cc1ccn2c(c1)ncc(C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)c2=O ZINC000498746973 1078854546 /nfs/dbraw/zinc/85/45/46/1078854546.db2.gz RHWJPNTZWIOJQM-UHFFFAOYSA-N 1 2 420.473 0.867 20 0 HCADLO O=C(Cn1nnc(-c2ccccc2)n1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498747476 1078855895 /nfs/dbraw/zinc/85/58/95/1078855895.db2.gz KIHYFIYBQMHVBT-UHFFFAOYSA-N 1 2 420.477 0.590 20 0 HCADLO O=C(CS(=O)(=O)C1CCCC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498747807 1078855670 /nfs/dbraw/zinc/85/56/70/1078855670.db2.gz VQUNHYKIJXJDOP-UHFFFAOYSA-N 1 2 408.524 0.594 20 0 HCADLO O=C(CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498750304 1078852502 /nfs/dbraw/zinc/85/25/02/1078852502.db2.gz BSOYPIPEKUEXKT-UHFFFAOYSA-N 1 2 422.445 0.080 20 0 HCADLO O=C(CNC(=O)NC1CCCCC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498750341 1078852490 /nfs/dbraw/zinc/85/24/90/1078852490.db2.gz CAPXQYABKAZGPQ-UHFFFAOYSA-N 1 2 416.526 0.868 20 0 HCADLO O=C(CNC(=O)NCc1ccco1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498750433 1078852525 /nfs/dbraw/zinc/85/25/25/1078852525.db2.gz CUDXFVIXRDDDFQ-UHFFFAOYSA-N 1 2 414.466 0.329 20 0 HCADLO CCNC(=O)NC1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000498751608 1078852891 /nfs/dbraw/zinc/85/28/91/1078852891.db2.gz HURGGOIQBDRGPO-UHFFFAOYSA-N 1 2 416.526 0.868 20 0 HCADLO Cc1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000498753188 1078858663 /nfs/dbraw/zinc/85/86/63/1078858663.db2.gz DUAQFASVUJEETQ-UHFFFAOYSA-N 1 2 423.477 0.846 20 0 HCADLO O=C(CCNC(=O)c1sccc1-n1cnnn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498755951 1078859384 /nfs/dbraw/zinc/85/93/84/1078859384.db2.gz SYROVBNERIPRKR-UHFFFAOYSA-N 1 2 412.479 0.588 20 0 HCADLO Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000498760545 1078857541 /nfs/dbraw/zinc/85/75/41/1078857541.db2.gz UTUWWCMBSOQPDV-DLBZAZTESA-N 1 2 405.499 0.107 20 0 HCADLO Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000498760547 1078857664 /nfs/dbraw/zinc/85/76/64/1078857664.db2.gz UTUWWCMBSOQPDV-IAGOWNOFSA-N 1 2 405.499 0.107 20 0 HCADLO Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000498760549 1078857591 /nfs/dbraw/zinc/85/75/91/1078857591.db2.gz UTUWWCMBSOQPDV-IRXDYDNUSA-N 1 2 405.499 0.107 20 0 HCADLO Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000498760551 1078857560 /nfs/dbraw/zinc/85/75/60/1078857560.db2.gz UTUWWCMBSOQPDV-SJORKVTESA-N 1 2 405.499 0.107 20 0 HCADLO CC(=O)NCC(=O)NCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498783260 1078877615 /nfs/dbraw/zinc/87/76/15/1078877615.db2.gz WXTXINRAFWGMLO-UHFFFAOYSA-N 1 2 415.321 0.932 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)CC1 ZINC000498787243 1078880697 /nfs/dbraw/zinc/88/06/97/1078880697.db2.gz CPJYDMNPHCKESX-AWEZNQCLSA-N 1 2 408.524 0.495 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)CC1 ZINC000498787243 1078880695 /nfs/dbraw/zinc/88/06/95/1078880695.db2.gz CPJYDMNPHCKESX-AWEZNQCLSA-N 1 2 408.524 0.495 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)CC1 ZINC000498787244 1078880669 /nfs/dbraw/zinc/88/06/69/1078880669.db2.gz CPJYDMNPHCKESX-CQSZACIVSA-N 1 2 408.524 0.495 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)CC1 ZINC000498787244 1078880668 /nfs/dbraw/zinc/88/06/68/1078880668.db2.gz CPJYDMNPHCKESX-CQSZACIVSA-N 1 2 408.524 0.495 20 0 HCADLO CC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1CC(F)F ZINC000498802467 1078897110 /nfs/dbraw/zinc/89/71/10/1078897110.db2.gz IITUPUXZRGAAKM-CVEARBPZSA-N 1 2 402.486 0.355 20 0 HCADLO CC[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1CC(F)F ZINC000498802468 1078897127 /nfs/dbraw/zinc/89/71/27/1078897127.db2.gz IITUPUXZRGAAKM-HOTGVXAUSA-N 1 2 402.486 0.355 20 0 HCADLO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1CC(F)F ZINC000498802469 1078897085 /nfs/dbraw/zinc/89/70/85/1078897085.db2.gz IITUPUXZRGAAKM-HZPDHXFCSA-N 1 2 402.486 0.355 20 0 HCADLO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1CC(F)F ZINC000498802470 1078897079 /nfs/dbraw/zinc/89/70/79/1078897079.db2.gz IITUPUXZRGAAKM-JKSUJKDBSA-N 1 2 402.486 0.355 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000498832779 1078905132 /nfs/dbraw/zinc/90/51/32/1078905132.db2.gz LMZQFUMCPQRWBZ-DZGCQCFKSA-N 1 2 408.842 0.249 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000498832779 1078905127 /nfs/dbraw/zinc/90/51/27/1078905127.db2.gz LMZQFUMCPQRWBZ-DZGCQCFKSA-N 1 2 408.842 0.249 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000498832780 1078905320 /nfs/dbraw/zinc/90/53/20/1078905320.db2.gz LMZQFUMCPQRWBZ-HIFRSBDPSA-N 1 2 408.842 0.249 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000498832780 1078905312 /nfs/dbraw/zinc/90/53/12/1078905312.db2.gz LMZQFUMCPQRWBZ-HIFRSBDPSA-N 1 2 408.842 0.249 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000498832781 1078905049 /nfs/dbraw/zinc/90/50/49/1078905049.db2.gz LMZQFUMCPQRWBZ-UKRRQHHQSA-N 1 2 408.842 0.249 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000498832781 1078905040 /nfs/dbraw/zinc/90/50/40/1078905040.db2.gz LMZQFUMCPQRWBZ-UKRRQHHQSA-N 1 2 408.842 0.249 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000498832782 1078905026 /nfs/dbraw/zinc/90/50/26/1078905026.db2.gz LMZQFUMCPQRWBZ-ZFWWWQNUSA-N 1 2 408.842 0.249 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000498832782 1078905022 /nfs/dbraw/zinc/90/50/22/1078905022.db2.gz LMZQFUMCPQRWBZ-ZFWWWQNUSA-N 1 2 408.842 0.249 20 0 HCADLO CCN1CCN(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C(=O)C1=O ZINC000498833763 1078906618 /nfs/dbraw/zinc/90/66/18/1078906618.db2.gz ZWVRNJKXOFTUKP-AEFFLSMTSA-N 1 2 422.913 0.519 20 0 HCADLO CCN1CCN(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C(=O)C1=O ZINC000498833763 1078906612 /nfs/dbraw/zinc/90/66/12/1078906612.db2.gz ZWVRNJKXOFTUKP-AEFFLSMTSA-N 1 2 422.913 0.519 20 0 HCADLO CCN1CCN(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C(=O)C1=O ZINC000498833764 1078906670 /nfs/dbraw/zinc/90/66/70/1078906670.db2.gz ZWVRNJKXOFTUKP-FUHWJXTLSA-N 1 2 422.913 0.519 20 0 HCADLO CCN1CCN(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C(=O)C1=O ZINC000498833764 1078906666 /nfs/dbraw/zinc/90/66/66/1078906666.db2.gz ZWVRNJKXOFTUKP-FUHWJXTLSA-N 1 2 422.913 0.519 20 0 HCADLO CCN1CCN(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C(=O)C1=O ZINC000498833765 1078906722 /nfs/dbraw/zinc/90/67/22/1078906722.db2.gz ZWVRNJKXOFTUKP-SJLPKXTDSA-N 1 2 422.913 0.519 20 0 HCADLO CCN1CCN(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C(=O)C1=O ZINC000498833765 1078906716 /nfs/dbraw/zinc/90/67/16/1078906716.db2.gz ZWVRNJKXOFTUKP-SJLPKXTDSA-N 1 2 422.913 0.519 20 0 HCADLO CCN1CCN(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C(=O)C1=O ZINC000498833766 1078906752 /nfs/dbraw/zinc/90/67/52/1078906752.db2.gz ZWVRNJKXOFTUKP-WMZOPIPTSA-N 1 2 422.913 0.519 20 0 HCADLO CCN1CCN(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C(=O)C1=O ZINC000498833766 1078906750 /nfs/dbraw/zinc/90/67/50/1078906750.db2.gz ZWVRNJKXOFTUKP-WMZOPIPTSA-N 1 2 422.913 0.519 20 0 HCADLO CN1CCC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000498834703 1078907078 /nfs/dbraw/zinc/90/70/78/1078907078.db2.gz DAKMYDBJLGIQRI-KRWDZBQOSA-N 1 2 421.929 0.315 20 0 HCADLO CN1CCC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000498834708 1078907344 /nfs/dbraw/zinc/90/73/44/1078907344.db2.gz DAKMYDBJLGIQRI-QGZVFWFLSA-N 1 2 421.929 0.315 20 0 HCADLO CC(=O)NCCNC(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000498836017 1078907849 /nfs/dbraw/zinc/90/78/49/1078907849.db2.gz WRTXHPVFZHWRKO-FXAWDEMLSA-N 1 2 424.929 0.860 20 0 HCADLO CC(=O)NCCNC(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000498836017 1078907846 /nfs/dbraw/zinc/90/78/46/1078907846.db2.gz WRTXHPVFZHWRKO-FXAWDEMLSA-N 1 2 424.929 0.860 20 0 HCADLO CC(=O)NCCNC(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000498836018 1078907730 /nfs/dbraw/zinc/90/77/30/1078907730.db2.gz WRTXHPVFZHWRKO-PXNSSMCTSA-N 1 2 424.929 0.860 20 0 HCADLO CC(=O)NCCNC(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000498836018 1078907721 /nfs/dbraw/zinc/90/77/21/1078907721.db2.gz WRTXHPVFZHWRKO-PXNSSMCTSA-N 1 2 424.929 0.860 20 0 HCADLO CC(=O)NCCNC(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000498836019 1078908209 /nfs/dbraw/zinc/90/82/09/1078908209.db2.gz WRTXHPVFZHWRKO-XLIONFOSSA-N 1 2 424.929 0.860 20 0 HCADLO CC(=O)NCCNC(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000498836019 1078908208 /nfs/dbraw/zinc/90/82/08/1078908208.db2.gz WRTXHPVFZHWRKO-XLIONFOSSA-N 1 2 424.929 0.860 20 0 HCADLO CC(=O)NCCNC(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000498836020 1078908275 /nfs/dbraw/zinc/90/82/75/1078908275.db2.gz WRTXHPVFZHWRKO-YLJYHZDGSA-N 1 2 424.929 0.860 20 0 HCADLO CC(=O)NCCNC(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000498836020 1078908269 /nfs/dbraw/zinc/90/82/69/1078908269.db2.gz WRTXHPVFZHWRKO-YLJYHZDGSA-N 1 2 424.929 0.860 20 0 HCADLO Cn1c(=O)ccn(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1=O ZINC000498840257 1078911336 /nfs/dbraw/zinc/91/13/36/1078911336.db2.gz ILJZNPQVSHUXGR-CRAIPNDOSA-N 1 2 406.870 0.389 20 0 HCADLO Cn1c(=O)ccn(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1=O ZINC000498840257 1078911330 /nfs/dbraw/zinc/91/13/30/1078911330.db2.gz ILJZNPQVSHUXGR-CRAIPNDOSA-N 1 2 406.870 0.389 20 0 HCADLO Cn1c(=O)ccn(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1=O ZINC000498840260 1078911403 /nfs/dbraw/zinc/91/14/03/1078911403.db2.gz ILJZNPQVSHUXGR-MAUKXSAKSA-N 1 2 406.870 0.389 20 0 HCADLO Cn1c(=O)ccn(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1=O ZINC000498840260 1078911398 /nfs/dbraw/zinc/91/13/98/1078911398.db2.gz ILJZNPQVSHUXGR-MAUKXSAKSA-N 1 2 406.870 0.389 20 0 HCADLO Cn1c(=O)ccn(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1=O ZINC000498840262 1078911208 /nfs/dbraw/zinc/91/12/08/1078911208.db2.gz ILJZNPQVSHUXGR-QAPCUYQASA-N 1 2 406.870 0.389 20 0 HCADLO Cn1c(=O)ccn(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1=O ZINC000498840262 1078911202 /nfs/dbraw/zinc/91/12/02/1078911202.db2.gz ILJZNPQVSHUXGR-QAPCUYQASA-N 1 2 406.870 0.389 20 0 HCADLO Cn1c(=O)ccn(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1=O ZINC000498840265 1078911309 /nfs/dbraw/zinc/91/13/09/1078911309.db2.gz ILJZNPQVSHUXGR-YJBOKZPZSA-N 1 2 406.870 0.389 20 0 HCADLO Cn1c(=O)ccn(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1=O ZINC000498840265 1078911304 /nfs/dbraw/zinc/91/13/04/1078911304.db2.gz ILJZNPQVSHUXGR-YJBOKZPZSA-N 1 2 406.870 0.389 20 0 HCADLO CCCn1cc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CCCN(C)C3=O)CC2)cn1 ZINC000498842233 1078911239 /nfs/dbraw/zinc/91/12/39/1078911239.db2.gz YTZCJCPYKRUKJH-KRWDZBQOSA-N 1 2 404.515 0.064 20 0 HCADLO CCCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CCCN(C)C3=O)CC2)cn1 ZINC000498842233 1078911232 /nfs/dbraw/zinc/91/12/32/1078911232.db2.gz YTZCJCPYKRUKJH-KRWDZBQOSA-N 1 2 404.515 0.064 20 0 HCADLO CCCn1cc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCCN(C)C3=O)CC2)cn1 ZINC000498842234 1078911283 /nfs/dbraw/zinc/91/12/83/1078911283.db2.gz YTZCJCPYKRUKJH-QGZVFWFLSA-N 1 2 404.515 0.064 20 0 HCADLO CCCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCCN(C)C3=O)CC2)cn1 ZINC000498842234 1078911277 /nfs/dbraw/zinc/91/12/77/1078911277.db2.gz YTZCJCPYKRUKJH-QGZVFWFLSA-N 1 2 404.515 0.064 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000498843692 1078912687 /nfs/dbraw/zinc/91/26/87/1078912687.db2.gz YLFVEBLDFNQJEK-AEFFLSMTSA-N 1 2 415.943 0.558 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000498843692 1078912674 /nfs/dbraw/zinc/91/26/74/1078912674.db2.gz YLFVEBLDFNQJEK-AEFFLSMTSA-N 1 2 415.943 0.558 20 0 HCADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000498843693 1078912825 /nfs/dbraw/zinc/91/28/25/1078912825.db2.gz YLFVEBLDFNQJEK-FUHWJXTLSA-N 1 2 415.943 0.558 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000498843693 1078912813 /nfs/dbraw/zinc/91/28/13/1078912813.db2.gz YLFVEBLDFNQJEK-FUHWJXTLSA-N 1 2 415.943 0.558 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000498843694 1078912904 /nfs/dbraw/zinc/91/29/04/1078912904.db2.gz YLFVEBLDFNQJEK-SJLPKXTDSA-N 1 2 415.943 0.558 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000498843694 1078912897 /nfs/dbraw/zinc/91/28/97/1078912897.db2.gz YLFVEBLDFNQJEK-SJLPKXTDSA-N 1 2 415.943 0.558 20 0 HCADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000498843695 1078912654 /nfs/dbraw/zinc/91/26/54/1078912654.db2.gz YLFVEBLDFNQJEK-WMZOPIPTSA-N 1 2 415.943 0.558 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000498843695 1078912646 /nfs/dbraw/zinc/91/26/46/1078912646.db2.gz YLFVEBLDFNQJEK-WMZOPIPTSA-N 1 2 415.943 0.558 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Cn2ncn3nccc3c2=O)c2ccc(Cl)cc2)C1 ZINC000498846630 1078915810 /nfs/dbraw/zinc/91/58/10/1078915810.db2.gz JMVRNRZMWCLYSZ-AEFFLSMTSA-N 1 2 416.869 0.733 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Cn2ncn3nccc3c2=O)c2ccc(Cl)cc2)C1 ZINC000498846630 1078915803 /nfs/dbraw/zinc/91/58/03/1078915803.db2.gz JMVRNRZMWCLYSZ-AEFFLSMTSA-N 1 2 416.869 0.733 20 0 HCADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Cn2ncn3nccc3c2=O)c2ccc(Cl)cc2)C1 ZINC000498846631 1078915631 /nfs/dbraw/zinc/91/56/31/1078915631.db2.gz JMVRNRZMWCLYSZ-FUHWJXTLSA-N 1 2 416.869 0.733 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Cn2ncn3nccc3c2=O)c2ccc(Cl)cc2)C1 ZINC000498846631 1078915627 /nfs/dbraw/zinc/91/56/27/1078915627.db2.gz JMVRNRZMWCLYSZ-FUHWJXTLSA-N 1 2 416.869 0.733 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Cn2ncn3nccc3c2=O)c2ccc(Cl)cc2)C1 ZINC000498846632 1078915732 /nfs/dbraw/zinc/91/57/32/1078915732.db2.gz JMVRNRZMWCLYSZ-SJLPKXTDSA-N 1 2 416.869 0.733 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Cn2ncn3nccc3c2=O)c2ccc(Cl)cc2)C1 ZINC000498846632 1078915724 /nfs/dbraw/zinc/91/57/24/1078915724.db2.gz JMVRNRZMWCLYSZ-SJLPKXTDSA-N 1 2 416.869 0.733 20 0 HCADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Cn2ncn3nccc3c2=O)c2ccc(Cl)cc2)C1 ZINC000498846633 1078915876 /nfs/dbraw/zinc/91/58/76/1078915876.db2.gz JMVRNRZMWCLYSZ-WMZOPIPTSA-N 1 2 416.869 0.733 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Cn2ncn3nccc3c2=O)c2ccc(Cl)cc2)C1 ZINC000498846633 1078915870 /nfs/dbraw/zinc/91/58/70/1078915870.db2.gz JMVRNRZMWCLYSZ-WMZOPIPTSA-N 1 2 416.869 0.733 20 0 HCADLO COC(=O)c1cn(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000498847059 1078915651 /nfs/dbraw/zinc/91/56/51/1078915651.db2.gz LFFFGWVJLCUTMY-DOTOQJQBSA-N 1 2 407.858 0.906 20 0 HCADLO COC(=O)c1cn(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000498847059 1078915642 /nfs/dbraw/zinc/91/56/42/1078915642.db2.gz LFFFGWVJLCUTMY-DOTOQJQBSA-N 1 2 407.858 0.906 20 0 HCADLO COC(=O)c1cn(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000498847060 1078915835 /nfs/dbraw/zinc/91/58/35/1078915835.db2.gz LFFFGWVJLCUTMY-NVXWUHKLSA-N 1 2 407.858 0.906 20 0 HCADLO COC(=O)c1cn(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000498847060 1078915826 /nfs/dbraw/zinc/91/58/26/1078915826.db2.gz LFFFGWVJLCUTMY-NVXWUHKLSA-N 1 2 407.858 0.906 20 0 HCADLO COC(=O)c1cn(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000498847061 1078915674 /nfs/dbraw/zinc/91/56/74/1078915674.db2.gz LFFFGWVJLCUTMY-RDJZCZTQSA-N 1 2 407.858 0.906 20 0 HCADLO COC(=O)c1cn(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000498847061 1078915667 /nfs/dbraw/zinc/91/56/67/1078915667.db2.gz LFFFGWVJLCUTMY-RDJZCZTQSA-N 1 2 407.858 0.906 20 0 HCADLO COC(=O)c1cn(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000498847062 1078915769 /nfs/dbraw/zinc/91/57/69/1078915769.db2.gz LFFFGWVJLCUTMY-WBVHZDCISA-N 1 2 407.858 0.906 20 0 HCADLO COC(=O)c1cn(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000498847062 1078915762 /nfs/dbraw/zinc/91/57/62/1078915762.db2.gz LFFFGWVJLCUTMY-WBVHZDCISA-N 1 2 407.858 0.906 20 0 HCADLO Cc1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(C)C3=O)CC2)nc(C(C)C)[nH+]1 ZINC000498851019 1078917779 /nfs/dbraw/zinc/91/77/79/1078917779.db2.gz PRZHPWQKRFALTC-HNNXBMFYSA-N 1 2 402.499 0.294 20 0 HCADLO Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(C)C3=O)CC2)nc(C(C)C)[nH+]1 ZINC000498851020 1078917682 /nfs/dbraw/zinc/91/76/82/1078917682.db2.gz PRZHPWQKRFALTC-OAHLLOKOSA-N 1 2 402.499 0.294 20 0 HCADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000498851624 1078919157 /nfs/dbraw/zinc/91/91/57/1078919157.db2.gz RIUPLXHRQAZUQN-KRWDZBQOSA-N 1 2 401.511 0.884 20 0 HCADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000498851626 1078919054 /nfs/dbraw/zinc/91/90/54/1078919054.db2.gz RIUPLXHRQAZUQN-QGZVFWFLSA-N 1 2 401.511 0.884 20 0 HCADLO CN1CCC[C@@H](NC(=O)C(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)C1=O ZINC000498854477 1078921027 /nfs/dbraw/zinc/92/10/27/1078921027.db2.gz AQPNNQYYFBGTOA-CABCVRRESA-N 1 2 419.551 0.693 20 0 HCADLO CN1CCC[C@@H](NC(=O)C(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)C1=O ZINC000498854477 1078921025 /nfs/dbraw/zinc/92/10/25/1078921025.db2.gz AQPNNQYYFBGTOA-CABCVRRESA-N 1 2 419.551 0.693 20 0 HCADLO CN1CCC[C@H](NC(=O)C(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)C1=O ZINC000498854478 1078920964 /nfs/dbraw/zinc/92/09/64/1078920964.db2.gz AQPNNQYYFBGTOA-GJZGRUSLSA-N 1 2 419.551 0.693 20 0 HCADLO CN1CCC[C@H](NC(=O)C(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)C1=O ZINC000498854478 1078920956 /nfs/dbraw/zinc/92/09/56/1078920956.db2.gz AQPNNQYYFBGTOA-GJZGRUSLSA-N 1 2 419.551 0.693 20 0 HCADLO CN1CCC[C@@H](NC(=O)C(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)C1=O ZINC000498854481 1078920919 /nfs/dbraw/zinc/92/09/19/1078920919.db2.gz AQPNNQYYFBGTOA-HUUCEWRRSA-N 1 2 419.551 0.693 20 0 HCADLO CN1CCC[C@@H](NC(=O)C(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)C1=O ZINC000498854481 1078920908 /nfs/dbraw/zinc/92/09/08/1078920908.db2.gz AQPNNQYYFBGTOA-HUUCEWRRSA-N 1 2 419.551 0.693 20 0 HCADLO CN1CCC[C@H](NC(=O)C(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)C1=O ZINC000498854482 1078920994 /nfs/dbraw/zinc/92/09/94/1078920994.db2.gz AQPNNQYYFBGTOA-LSDHHAIUSA-N 1 2 419.551 0.693 20 0 HCADLO CN1CCC[C@H](NC(=O)C(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)C1=O ZINC000498854482 1078920987 /nfs/dbraw/zinc/92/09/87/1078920987.db2.gz AQPNNQYYFBGTOA-LSDHHAIUSA-N 1 2 419.551 0.693 20 0 HCADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCCN(C)C3=O)CC2)c1 ZINC000498857681 1078922252 /nfs/dbraw/zinc/92/22/52/1078922252.db2.gz SHCUYBFLSAHPGZ-CRAIPNDOSA-N 1 2 402.495 0.637 20 0 HCADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCCN(C)C3=O)CC2)c1 ZINC000498857682 1078922335 /nfs/dbraw/zinc/92/23/35/1078922335.db2.gz SHCUYBFLSAHPGZ-MAUKXSAKSA-N 1 2 402.495 0.637 20 0 HCADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H]3CCCN(C)C3=O)CC2)c1 ZINC000498857683 1078922210 /nfs/dbraw/zinc/92/22/10/1078922210.db2.gz SHCUYBFLSAHPGZ-QAPCUYQASA-N 1 2 402.495 0.637 20 0 HCADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H]3CCCN(C)C3=O)CC2)c1 ZINC000498857684 1078922219 /nfs/dbraw/zinc/92/22/19/1078922219.db2.gz SHCUYBFLSAHPGZ-YJBOKZPZSA-N 1 2 402.495 0.637 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000498862733 1078924623 /nfs/dbraw/zinc/92/46/23/1078924623.db2.gz BWUYBLIOZQWWPB-AEFFLSMTSA-N 1 2 420.901 0.821 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000498862733 1078924620 /nfs/dbraw/zinc/92/46/20/1078924620.db2.gz BWUYBLIOZQWWPB-AEFFLSMTSA-N 1 2 420.901 0.821 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000498862734 1078924609 /nfs/dbraw/zinc/92/46/09/1078924609.db2.gz BWUYBLIOZQWWPB-FUHWJXTLSA-N 1 2 420.901 0.821 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000498862734 1078924603 /nfs/dbraw/zinc/92/46/03/1078924603.db2.gz BWUYBLIOZQWWPB-FUHWJXTLSA-N 1 2 420.901 0.821 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000498862735 1078924525 /nfs/dbraw/zinc/92/45/25/1078924525.db2.gz BWUYBLIOZQWWPB-SJLPKXTDSA-N 1 2 420.901 0.821 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000498862735 1078924516 /nfs/dbraw/zinc/92/45/16/1078924516.db2.gz BWUYBLIOZQWWPB-SJLPKXTDSA-N 1 2 420.901 0.821 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000498862736 1078924588 /nfs/dbraw/zinc/92/45/88/1078924588.db2.gz BWUYBLIOZQWWPB-WMZOPIPTSA-N 1 2 420.901 0.821 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000498862736 1078924582 /nfs/dbraw/zinc/92/45/82/1078924582.db2.gz BWUYBLIOZQWWPB-WMZOPIPTSA-N 1 2 420.901 0.821 20 0 HCADLO CN1CCC[C@@H](NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000498864809 1078925479 /nfs/dbraw/zinc/92/54/79/1078925479.db2.gz HNHTVPBLLOKGDC-IKGGRYGDSA-N 1 2 422.913 0.565 20 0 HCADLO CN1CCC[C@@H](NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000498864809 1078925473 /nfs/dbraw/zinc/92/54/73/1078925473.db2.gz HNHTVPBLLOKGDC-IKGGRYGDSA-N 1 2 422.913 0.565 20 0 HCADLO CN1CCC[C@@H](NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000498864810 1078925459 /nfs/dbraw/zinc/92/54/59/1078925459.db2.gz HNHTVPBLLOKGDC-IXDOHACOSA-N 1 2 422.913 0.565 20 0 HCADLO CN1CCC[C@@H](NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000498864810 1078925452 /nfs/dbraw/zinc/92/54/52/1078925452.db2.gz HNHTVPBLLOKGDC-IXDOHACOSA-N 1 2 422.913 0.565 20 0 HCADLO CN1CCC[C@H](NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000498864811 1078925602 /nfs/dbraw/zinc/92/56/02/1078925602.db2.gz HNHTVPBLLOKGDC-ULQDDVLXSA-N 1 2 422.913 0.565 20 0 HCADLO CN1CCC[C@H](NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000498864811 1078925599 /nfs/dbraw/zinc/92/55/99/1078925599.db2.gz HNHTVPBLLOKGDC-ULQDDVLXSA-N 1 2 422.913 0.565 20 0 HCADLO CN1CCC[C@H](NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000498864812 1078925631 /nfs/dbraw/zinc/92/56/31/1078925631.db2.gz HNHTVPBLLOKGDC-YESZJQIVSA-N 1 2 422.913 0.565 20 0 HCADLO CN1CCC[C@H](NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000498864812 1078925626 /nfs/dbraw/zinc/92/56/26/1078925626.db2.gz HNHTVPBLLOKGDC-YESZJQIVSA-N 1 2 422.913 0.565 20 0 HCADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CN2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498865963 1078925564 /nfs/dbraw/zinc/92/55/64/1078925564.db2.gz QCHZPAMXJZYXKX-DOTOQJQBSA-N 1 2 401.916 0.863 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CN2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498865963 1078925557 /nfs/dbraw/zinc/92/55/57/1078925557.db2.gz QCHZPAMXJZYXKX-DOTOQJQBSA-N 1 2 401.916 0.863 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CN2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498865965 1078925644 /nfs/dbraw/zinc/92/56/44/1078925644.db2.gz QCHZPAMXJZYXKX-NVXWUHKLSA-N 1 2 401.916 0.863 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CN2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498865965 1078925641 /nfs/dbraw/zinc/92/56/41/1078925641.db2.gz QCHZPAMXJZYXKX-NVXWUHKLSA-N 1 2 401.916 0.863 20 0 HCADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CN2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498865967 1078925411 /nfs/dbraw/zinc/92/54/11/1078925411.db2.gz QCHZPAMXJZYXKX-RDJZCZTQSA-N 1 2 401.916 0.863 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CN2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498865967 1078925405 /nfs/dbraw/zinc/92/54/05/1078925405.db2.gz QCHZPAMXJZYXKX-RDJZCZTQSA-N 1 2 401.916 0.863 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CN2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498865969 1078925913 /nfs/dbraw/zinc/92/59/13/1078925913.db2.gz QCHZPAMXJZYXKX-WBVHZDCISA-N 1 2 401.916 0.863 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CN2CCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498865969 1078925907 /nfs/dbraw/zinc/92/59/07/1078925907.db2.gz QCHZPAMXJZYXKX-WBVHZDCISA-N 1 2 401.916 0.863 20 0 HCADLO CC(C)(CNC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000498869979 1078928857 /nfs/dbraw/zinc/92/88/57/1078928857.db2.gz AIHWOYPDRYLJQN-UHFFFAOYSA-N 1 2 409.575 0.873 20 0 HCADLO CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000498871729 1078929846 /nfs/dbraw/zinc/92/98/46/1078929846.db2.gz DYIXBVWXBJYZHF-UHFFFAOYSA-N 1 2 405.542 0.079 20 0 HCADLO C[C@@H](CNS(=O)(=O)CCCN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000498875350 1078926657 /nfs/dbraw/zinc/92/66/57/1078926657.db2.gz UMAHGMFZYVUBPO-IBGZPJMESA-N 1 2 410.584 0.839 20 0 HCADLO C[C@H](CNS(=O)(=O)CCCN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000498875351 1078926606 /nfs/dbraw/zinc/92/66/06/1078926606.db2.gz UMAHGMFZYVUBPO-LJQANCHMSA-N 1 2 410.584 0.839 20 0 HCADLO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2[nH]cnc2C(=O)c2ccccc2)cn1 ZINC000498880707 1078932763 /nfs/dbraw/zinc/93/27/63/1078932763.db2.gz NWPVWUQGDNAJEE-UHFFFAOYSA-N 1 2 409.450 0.767 20 0 HCADLO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2nc[nH]c2C(=O)c2ccccc2)cn1 ZINC000498880707 1078932756 /nfs/dbraw/zinc/93/27/56/1078932756.db2.gz NWPVWUQGDNAJEE-UHFFFAOYSA-N 1 2 409.450 0.767 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000498889967 1078938021 /nfs/dbraw/zinc/93/80/21/1078938021.db2.gz CTKQMQCYTGTOMB-INIZCTEOSA-N 1 2 403.570 0.763 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000498889969 1078938514 /nfs/dbraw/zinc/93/85/14/1078938514.db2.gz CTKQMQCYTGTOMB-MRXNPFEDSA-N 1 2 403.570 0.763 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498897294 1078935980 /nfs/dbraw/zinc/93/59/80/1078935980.db2.gz FDIOHJBVTDRMGB-DLBZAZTESA-N 1 2 416.526 0.569 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498897298 1078936249 /nfs/dbraw/zinc/93/62/49/1078936249.db2.gz FDIOHJBVTDRMGB-IAGOWNOFSA-N 1 2 416.526 0.569 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498897301 1078936874 /nfs/dbraw/zinc/93/68/74/1078936874.db2.gz FDIOHJBVTDRMGB-IRXDYDNUSA-N 1 2 416.526 0.569 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498897304 1078936915 /nfs/dbraw/zinc/93/69/15/1078936915.db2.gz FDIOHJBVTDRMGB-SJORKVTESA-N 1 2 416.526 0.569 20 0 HCADLO Cc1ccc([C@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)N2CCOCC2)o1 ZINC000498901875 1078939227 /nfs/dbraw/zinc/93/92/27/1078939227.db2.gz PTFBIAIOTPQXKT-KRWDZBQOSA-N 1 2 401.529 0.603 20 0 HCADLO Cc1ccc([C@@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)N2CCOCC2)o1 ZINC000498901876 1078939104 /nfs/dbraw/zinc/93/91/04/1078939104.db2.gz PTFBIAIOTPQXKT-QGZVFWFLSA-N 1 2 401.529 0.603 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000498910528 1078949111 /nfs/dbraw/zinc/94/91/11/1078949111.db2.gz ZTAJMFOOTPRUOS-IBGZPJMESA-N 1 2 415.531 0.841 20 0 HCADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000498910535 1078949193 /nfs/dbraw/zinc/94/91/93/1078949193.db2.gz ZTAJMFOOTPRUOS-LJQANCHMSA-N 1 2 415.531 0.841 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(=O)[nH]c1=O ZINC000498911558 1078949881 /nfs/dbraw/zinc/94/98/81/1078949881.db2.gz ACSVCPJQKSYFMV-GFCCVEGCSA-N 1 2 401.471 0.999 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(=O)[nH]c1=O ZINC000498911558 1078949875 /nfs/dbraw/zinc/94/98/75/1078949875.db2.gz ACSVCPJQKSYFMV-GFCCVEGCSA-N 1 2 401.471 0.999 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(=O)[nH]c1=O ZINC000498911559 1078949684 /nfs/dbraw/zinc/94/96/84/1078949684.db2.gz ACSVCPJQKSYFMV-LBPRGKRZSA-N 1 2 401.471 0.999 20 0 HCADLO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(=O)[nH]c1=O ZINC000498911559 1078949674 /nfs/dbraw/zinc/94/96/74/1078949674.db2.gz ACSVCPJQKSYFMV-LBPRGKRZSA-N 1 2 401.471 0.999 20 0 HCADLO CC(=O)N1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC12CCCCC2 ZINC000498911592 1078949781 /nfs/dbraw/zinc/94/97/81/1078949781.db2.gz AMGHGSWYRIFRQW-UHFFFAOYSA-N 1 2 402.561 0.251 20 0 HCADLO CC(=O)N1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC12CCCCC2 ZINC000498911592 1078949770 /nfs/dbraw/zinc/94/97/70/1078949770.db2.gz AMGHGSWYRIFRQW-UHFFFAOYSA-N 1 2 402.561 0.251 20 0 HCADLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000498912793 1078949950 /nfs/dbraw/zinc/94/99/50/1078949950.db2.gz DTHJVOOGGLFPRR-GOSISDBHSA-N 1 2 411.524 0.687 20 0 HCADLO CCC[C@@H]1C(=O)NCC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000498912793 1078949942 /nfs/dbraw/zinc/94/99/42/1078949942.db2.gz DTHJVOOGGLFPRR-GOSISDBHSA-N 1 2 411.524 0.687 20 0 HCADLO CCC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000498912794 1078949914 /nfs/dbraw/zinc/94/99/14/1078949914.db2.gz DTHJVOOGGLFPRR-SFHVURJKSA-N 1 2 411.524 0.687 20 0 HCADLO CCC[C@H]1C(=O)NCC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000498912794 1078949903 /nfs/dbraw/zinc/94/99/03/1078949903.db2.gz DTHJVOOGGLFPRR-SFHVURJKSA-N 1 2 411.524 0.687 20 0 HCADLO Cc1cc(N2CCN(C(=O)CN3CCN(C(=O)[C@H](C)O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000498914234 1078951044 /nfs/dbraw/zinc/95/10/44/1078951044.db2.gz RHWRPQLTGAJPHE-KRWDZBQOSA-N 1 2 418.542 0.082 20 0 HCADLO Cc1cc(N2CCN(C(=O)CN3CCN(C(=O)[C@@H](C)O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000498914237 1078950974 /nfs/dbraw/zinc/95/09/74/1078950974.db2.gz RHWRPQLTGAJPHE-QGZVFWFLSA-N 1 2 418.542 0.082 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(=O)[nH]c1=O ZINC000498915106 1078951245 /nfs/dbraw/zinc/95/12/45/1078951245.db2.gz LFHYLCGGIYCWQN-GFCCVEGCSA-N 1 2 417.470 0.235 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(=O)[nH]c1=O ZINC000498915106 1078951235 /nfs/dbraw/zinc/95/12/35/1078951235.db2.gz LFHYLCGGIYCWQN-GFCCVEGCSA-N 1 2 417.470 0.235 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(=O)[nH]c1=O ZINC000498915107 1078951495 /nfs/dbraw/zinc/95/14/95/1078951495.db2.gz LFHYLCGGIYCWQN-LBPRGKRZSA-N 1 2 417.470 0.235 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(=O)[nH]c1=O ZINC000498915107 1078951491 /nfs/dbraw/zinc/95/14/91/1078951491.db2.gz LFHYLCGGIYCWQN-LBPRGKRZSA-N 1 2 417.470 0.235 20 0 HCADLO C[C@H](O)C(=O)N1CCN(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CC1 ZINC000498915263 1078950800 /nfs/dbraw/zinc/95/08/00/1078950800.db2.gz LZCUQRURPZDQPA-HNNXBMFYSA-N 1 2 409.556 0.839 20 0 HCADLO C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CC1 ZINC000498915264 1078950903 /nfs/dbraw/zinc/95/09/03/1078950903.db2.gz LZCUQRURPZDQPA-OAHLLOKOSA-N 1 2 409.556 0.839 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498917770 1078945733 /nfs/dbraw/zinc/94/57/33/1078945733.db2.gz LSEKCPDNZNDBQB-CMPLNLGQSA-N 1 2 401.471 0.113 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498917770 1078945726 /nfs/dbraw/zinc/94/57/26/1078945726.db2.gz LSEKCPDNZNDBQB-CMPLNLGQSA-N 1 2 401.471 0.113 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498917772 1078945806 /nfs/dbraw/zinc/94/58/06/1078945806.db2.gz LSEKCPDNZNDBQB-JQWIXIFHSA-N 1 2 401.471 0.113 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498917772 1078945797 /nfs/dbraw/zinc/94/57/97/1078945797.db2.gz LSEKCPDNZNDBQB-JQWIXIFHSA-N 1 2 401.471 0.113 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498917774 1078945690 /nfs/dbraw/zinc/94/56/90/1078945690.db2.gz LSEKCPDNZNDBQB-PWSUYJOCSA-N 1 2 401.471 0.113 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498917774 1078945688 /nfs/dbraw/zinc/94/56/88/1078945688.db2.gz LSEKCPDNZNDBQB-PWSUYJOCSA-N 1 2 401.471 0.113 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498917776 1078945970 /nfs/dbraw/zinc/94/59/70/1078945970.db2.gz LSEKCPDNZNDBQB-ZYHUDNBSSA-N 1 2 401.471 0.113 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498917776 1078945961 /nfs/dbraw/zinc/94/59/61/1078945961.db2.gz LSEKCPDNZNDBQB-ZYHUDNBSSA-N 1 2 401.471 0.113 20 0 HCADLO CC[N@H+]1C[C@H](C)N(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000498924700 1078954264 /nfs/dbraw/zinc/95/42/64/1078954264.db2.gz NBGOUMXZUADLGF-FJIDUMEYSA-N 1 2 401.573 0.596 20 0 HCADLO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000498924700 1078954256 /nfs/dbraw/zinc/95/42/56/1078954256.db2.gz NBGOUMXZUADLGF-FJIDUMEYSA-N 1 2 401.573 0.596 20 0 HCADLO CC[N@H+]1C[C@H](C)N(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000498924701 1078954162 /nfs/dbraw/zinc/95/41/62/1078954162.db2.gz NBGOUMXZUADLGF-OWSLCNJRSA-N 1 2 401.573 0.596 20 0 HCADLO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000498924701 1078954156 /nfs/dbraw/zinc/95/41/56/1078954156.db2.gz NBGOUMXZUADLGF-OWSLCNJRSA-N 1 2 401.573 0.596 20 0 HCADLO CC[N@H+]1C[C@H](C)N(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000498924702 1078954105 /nfs/dbraw/zinc/95/41/05/1078954105.db2.gz NBGOUMXZUADLGF-XDNAFOTISA-N 1 2 401.573 0.596 20 0 HCADLO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000498924702 1078954096 /nfs/dbraw/zinc/95/40/96/1078954096.db2.gz NBGOUMXZUADLGF-XDNAFOTISA-N 1 2 401.573 0.596 20 0 HCADLO CC[N@H+]1C[C@H](C)N(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000498924703 1078954205 /nfs/dbraw/zinc/95/42/05/1078954205.db2.gz NBGOUMXZUADLGF-XSLAGTTESA-N 1 2 401.573 0.596 20 0 HCADLO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000498924703 1078954203 /nfs/dbraw/zinc/95/42/03/1078954203.db2.gz NBGOUMXZUADLGF-XSLAGTTESA-N 1 2 401.573 0.596 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)cc1 ZINC000498937258 1078958408 /nfs/dbraw/zinc/95/84/08/1078958408.db2.gz HXEWXLCVBMVGMH-UHFFFAOYSA-N 1 2 415.523 0.936 20 0 HCADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000498938699 1078960239 /nfs/dbraw/zinc/96/02/39/1078960239.db2.gz DRRGZPVNLWLEEO-UHFFFAOYSA-N 1 2 406.552 0.753 20 0 HCADLO CCC[C@H]1C(=O)NCCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000498939116 1078959821 /nfs/dbraw/zinc/95/98/21/1078959821.db2.gz VAXOFJPXQDYVJZ-IBGZPJMESA-N 1 2 400.523 0.866 20 0 HCADLO CCC[C@@H]1C(=O)NCCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000498939121 1078959587 /nfs/dbraw/zinc/95/95/87/1078959587.db2.gz VAXOFJPXQDYVJZ-LJQANCHMSA-N 1 2 400.523 0.866 20 0 HCADLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CCN1CC(F)F ZINC000498939661 1078960568 /nfs/dbraw/zinc/96/05/68/1078960568.db2.gz WHSHZVLKQWPKDH-INIZCTEOSA-N 1 2 417.545 0.707 20 0 HCADLO CC[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CCN1CC(F)F ZINC000498939661 1078960562 /nfs/dbraw/zinc/96/05/62/1078960562.db2.gz WHSHZVLKQWPKDH-INIZCTEOSA-N 1 2 417.545 0.707 20 0 HCADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CCN1CC(F)F ZINC000498939663 1078960177 /nfs/dbraw/zinc/96/01/77/1078960177.db2.gz WHSHZVLKQWPKDH-MRXNPFEDSA-N 1 2 417.545 0.707 20 0 HCADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CCN1CC(F)F ZINC000498939663 1078960160 /nfs/dbraw/zinc/96/01/60/1078960160.db2.gz WHSHZVLKQWPKDH-MRXNPFEDSA-N 1 2 417.545 0.707 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000498959649 1078973191 /nfs/dbraw/zinc/97/31/91/1078973191.db2.gz CEURWWSRZMXVGG-UHFFFAOYSA-N 1 2 421.473 0.865 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)CC1 ZINC000498962571 1078974830 /nfs/dbraw/zinc/97/48/30/1078974830.db2.gz LTGBJUVCILYFIT-UHFFFAOYSA-N 1 2 406.483 0.182 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498963104 1078973578 /nfs/dbraw/zinc/97/35/78/1078973578.db2.gz FWWLEUIANJMBPO-CABCVRRESA-N 1 2 404.920 0.560 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498963104 1078973570 /nfs/dbraw/zinc/97/35/70/1078973570.db2.gz FWWLEUIANJMBPO-CABCVRRESA-N 1 2 404.920 0.560 20 0 HCADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498963112 1078974358 /nfs/dbraw/zinc/97/43/58/1078974358.db2.gz FWWLEUIANJMBPO-GJZGRUSLSA-N 1 2 404.920 0.560 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498963112 1078974348 /nfs/dbraw/zinc/97/43/48/1078974348.db2.gz FWWLEUIANJMBPO-GJZGRUSLSA-N 1 2 404.920 0.560 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498963114 1078974452 /nfs/dbraw/zinc/97/44/52/1078974452.db2.gz FWWLEUIANJMBPO-HUUCEWRRSA-N 1 2 404.920 0.560 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498963114 1078974439 /nfs/dbraw/zinc/97/44/39/1078974439.db2.gz FWWLEUIANJMBPO-HUUCEWRRSA-N 1 2 404.920 0.560 20 0 HCADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498963116 1078974311 /nfs/dbraw/zinc/97/43/11/1078974311.db2.gz FWWLEUIANJMBPO-LSDHHAIUSA-N 1 2 404.920 0.560 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000498963116 1078974306 /nfs/dbraw/zinc/97/43/06/1078974306.db2.gz FWWLEUIANJMBPO-LSDHHAIUSA-N 1 2 404.920 0.560 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1F ZINC000498965051 1078975368 /nfs/dbraw/zinc/97/53/68/1078975368.db2.gz WEXANPROGPLSJB-UHFFFAOYSA-N 1 2 409.443 0.733 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1F ZINC000498967010 1078977791 /nfs/dbraw/zinc/97/77/91/1078977791.db2.gz KDHGGOBRQGSERJ-UHFFFAOYSA-N 1 2 409.443 0.802 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1F ZINC000498967010 1078977783 /nfs/dbraw/zinc/97/77/83/1078977783.db2.gz KDHGGOBRQGSERJ-UHFFFAOYSA-N 1 2 409.443 0.802 20 0 HCADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000498969842 1078980846 /nfs/dbraw/zinc/98/08/46/1078980846.db2.gz SETVMIFXUXCQAF-HNNXBMFYSA-N 1 2 419.569 0.572 20 0 HCADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000498969842 1078980837 /nfs/dbraw/zinc/98/08/37/1078980837.db2.gz SETVMIFXUXCQAF-HNNXBMFYSA-N 1 2 419.569 0.572 20 0 HCADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000498969844 1078980656 /nfs/dbraw/zinc/98/06/56/1078980656.db2.gz SETVMIFXUXCQAF-OAHLLOKOSA-N 1 2 419.569 0.572 20 0 HCADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000498969844 1078980646 /nfs/dbraw/zinc/98/06/46/1078980646.db2.gz SETVMIFXUXCQAF-OAHLLOKOSA-N 1 2 419.569 0.572 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498975267 1078988965 /nfs/dbraw/zinc/98/89/65/1078988965.db2.gz RGFZEJPCKUJQEW-GDBMZVCRSA-N 1 2 409.874 0.563 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498975267 1078988955 /nfs/dbraw/zinc/98/89/55/1078988955.db2.gz RGFZEJPCKUJQEW-GDBMZVCRSA-N 1 2 409.874 0.563 20 0 HCADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498975271 1078988861 /nfs/dbraw/zinc/98/88/61/1078988861.db2.gz RGFZEJPCKUJQEW-GOEBONIOSA-N 1 2 409.874 0.563 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498975271 1078988854 /nfs/dbraw/zinc/98/88/54/1078988854.db2.gz RGFZEJPCKUJQEW-GOEBONIOSA-N 1 2 409.874 0.563 20 0 HCADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498975275 1078988732 /nfs/dbraw/zinc/98/87/32/1078988732.db2.gz RGFZEJPCKUJQEW-HOCLYGCPSA-N 1 2 409.874 0.563 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498975275 1078988718 /nfs/dbraw/zinc/98/87/18/1078988718.db2.gz RGFZEJPCKUJQEW-HOCLYGCPSA-N 1 2 409.874 0.563 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498975279 1078988923 /nfs/dbraw/zinc/98/89/23/1078988923.db2.gz RGFZEJPCKUJQEW-ZBFHGGJFSA-N 1 2 409.874 0.563 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498975279 1078988917 /nfs/dbraw/zinc/98/89/17/1078988917.db2.gz RGFZEJPCKUJQEW-ZBFHGGJFSA-N 1 2 409.874 0.563 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1F ZINC000498978421 1078982041 /nfs/dbraw/zinc/98/20/41/1078982041.db2.gz ORYLNRPXLBBJFA-UHFFFAOYSA-N 1 2 409.443 0.802 20 0 HCADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498982628 1078984815 /nfs/dbraw/zinc/98/48/15/1078984815.db2.gz GLNTZZWRXYDTKA-DOTOQJQBSA-N 1 2 423.901 0.953 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498982628 1078984799 /nfs/dbraw/zinc/98/47/99/1078984799.db2.gz GLNTZZWRXYDTKA-DOTOQJQBSA-N 1 2 423.901 0.953 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498982630 1078985124 /nfs/dbraw/zinc/98/51/24/1078985124.db2.gz GLNTZZWRXYDTKA-NVXWUHKLSA-N 1 2 423.901 0.953 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498982630 1078985112 /nfs/dbraw/zinc/98/51/12/1078985112.db2.gz GLNTZZWRXYDTKA-NVXWUHKLSA-N 1 2 423.901 0.953 20 0 HCADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498982632 1078984655 /nfs/dbraw/zinc/98/46/55/1078984655.db2.gz GLNTZZWRXYDTKA-RDJZCZTQSA-N 1 2 423.901 0.953 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498982632 1078984642 /nfs/dbraw/zinc/98/46/42/1078984642.db2.gz GLNTZZWRXYDTKA-RDJZCZTQSA-N 1 2 423.901 0.953 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498982634 1078984928 /nfs/dbraw/zinc/98/49/28/1078984928.db2.gz GLNTZZWRXYDTKA-WBVHZDCISA-N 1 2 423.901 0.953 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCCCN2C(=O)CNC2=O)c2ccc(Cl)cc2)C1 ZINC000498982634 1078984914 /nfs/dbraw/zinc/98/49/14/1078984914.db2.gz GLNTZZWRXYDTKA-WBVHZDCISA-N 1 2 423.901 0.953 20 0 HCADLO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000498983105 1078984861 /nfs/dbraw/zinc/98/48/61/1078984861.db2.gz HOIABJAGQCRLCC-GOSISDBHSA-N 1 2 414.462 0.943 20 0 HCADLO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000498983107 1078985342 /nfs/dbraw/zinc/98/53/42/1078985342.db2.gz HOIABJAGQCRLCC-SFHVURJKSA-N 1 2 414.462 0.943 20 0 HCADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498988872 1078996256 /nfs/dbraw/zinc/99/62/56/1078996256.db2.gz DNHOWDZNBVHWOJ-CVEARBPZSA-N 1 2 402.499 0.334 20 0 HCADLO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498989088 1078995646 /nfs/dbraw/zinc/99/56/46/1078995646.db2.gz DNHOWDZNBVHWOJ-HOTGVXAUSA-N 1 2 402.499 0.334 20 0 HCADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498989089 1078995807 /nfs/dbraw/zinc/99/58/07/1078995807.db2.gz DNHOWDZNBVHWOJ-HZPDHXFCSA-N 1 2 402.499 0.334 20 0 HCADLO CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498989090 1078995766 /nfs/dbraw/zinc/99/57/66/1078995766.db2.gz DNHOWDZNBVHWOJ-JKSUJKDBSA-N 1 2 402.499 0.334 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000498989254 1078995234 /nfs/dbraw/zinc/99/52/34/1078995234.db2.gz RIWUUGPPPDDROU-CVEARBPZSA-N 1 2 418.947 0.950 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000498989254 1078995220 /nfs/dbraw/zinc/99/52/20/1078995220.db2.gz RIWUUGPPPDDROU-CVEARBPZSA-N 1 2 418.947 0.950 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000498989255 1078995026 /nfs/dbraw/zinc/99/50/26/1078995026.db2.gz RIWUUGPPPDDROU-HOTGVXAUSA-N 1 2 418.947 0.950 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000498989255 1078995020 /nfs/dbraw/zinc/99/50/20/1078995020.db2.gz RIWUUGPPPDDROU-HOTGVXAUSA-N 1 2 418.947 0.950 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000498989256 1078994889 /nfs/dbraw/zinc/99/48/89/1078994889.db2.gz RIWUUGPPPDDROU-HZPDHXFCSA-N 1 2 418.947 0.950 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000498989256 1078994875 /nfs/dbraw/zinc/99/48/75/1078994875.db2.gz RIWUUGPPPDDROU-HZPDHXFCSA-N 1 2 418.947 0.950 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000498989257 1078995125 /nfs/dbraw/zinc/99/51/25/1078995125.db2.gz RIWUUGPPPDDROU-JKSUJKDBSA-N 1 2 418.947 0.950 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000498989257 1078995115 /nfs/dbraw/zinc/99/51/15/1078995115.db2.gz RIWUUGPPPDDROU-JKSUJKDBSA-N 1 2 418.947 0.950 20 0 HCADLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000498991519 1078999579 /nfs/dbraw/zinc/99/95/79/1078999579.db2.gz PCFISXACUJWAPB-HNNXBMFYSA-N 1 2 401.419 0.714 20 0 HCADLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000498991520 1078999797 /nfs/dbraw/zinc/99/97/97/1078999797.db2.gz PCFISXACUJWAPB-OAHLLOKOSA-N 1 2 401.419 0.714 20 0 HCADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000498995706 1079001247 /nfs/dbraw/zinc/00/12/47/1079001247.db2.gz DCEWILLAIICMPR-KRWDZBQOSA-N 1 2 424.505 0.677 20 0 HCADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000498995813 1079001354 /nfs/dbraw/zinc/00/13/54/1079001354.db2.gz DCEWILLAIICMPR-QGZVFWFLSA-N 1 2 424.505 0.677 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000498997296 1079001776 /nfs/dbraw/zinc/00/17/76/1079001776.db2.gz GSFKVVQUSTXSDD-LLVKDONJSA-N 1 2 409.443 0.802 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000498997297 1079001935 /nfs/dbraw/zinc/00/19/35/1079001935.db2.gz GSFKVVQUSTXSDD-NSHDSACASA-N 1 2 409.443 0.802 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CC1 ZINC000499014390 1079007224 /nfs/dbraw/zinc/00/72/24/1079007224.db2.gz JOOSSKQKGAPDDZ-UHFFFAOYSA-N 1 2 412.437 0.531 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000499015720 1079007840 /nfs/dbraw/zinc/00/78/40/1079007840.db2.gz IAQIPCWKERISEU-UHFFFAOYSA-N 1 2 407.446 0.475 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CC1 ZINC000499016769 1079008409 /nfs/dbraw/zinc/00/84/09/1079008409.db2.gz NLGRXYFJOCPVRN-UHFFFAOYSA-N 1 2 406.414 0.208 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CC1 ZINC000499018953 1079008916 /nfs/dbraw/zinc/00/89/16/1079008916.db2.gz IPJBFJLGECRIIT-UHFFFAOYSA-N 1 2 420.441 0.598 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)CC1 ZINC000499019993 1079009318 /nfs/dbraw/zinc/00/93/18/1079009318.db2.gz OGCFOMZVFMCPTJ-UHFFFAOYSA-N 1 2 413.496 0.218 20 0 HCADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000499021394 1079011674 /nfs/dbraw/zinc/01/16/74/1079011674.db2.gz WGHHBBZHBVXXQE-UHFFFAOYSA-N 1 2 420.510 0.571 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 ZINC000499022177 1079011928 /nfs/dbraw/zinc/01/19/28/1079011928.db2.gz ZGPSKUMLMFBQSQ-UHFFFAOYSA-N 1 2 410.858 0.790 20 0 HCADLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000499022316 1079011623 /nfs/dbraw/zinc/01/16/23/1079011623.db2.gz PEDPIRYZTSYXSD-IBGZPJMESA-N 1 2 419.503 0.897 20 0 HCADLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000499022316 1079011620 /nfs/dbraw/zinc/01/16/20/1079011620.db2.gz PEDPIRYZTSYXSD-IBGZPJMESA-N 1 2 419.503 0.897 20 0 HCADLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000499022318 1079011572 /nfs/dbraw/zinc/01/15/72/1079011572.db2.gz PEDPIRYZTSYXSD-LJQANCHMSA-N 1 2 419.503 0.897 20 0 HCADLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000499022318 1079011561 /nfs/dbraw/zinc/01/15/61/1079011561.db2.gz PEDPIRYZTSYXSD-LJQANCHMSA-N 1 2 419.503 0.897 20 0 HCADLO CN1CC(=O)N(CCCC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1=O ZINC000499024558 1079013089 /nfs/dbraw/zinc/01/30/89/1079013089.db2.gz CVBSRIMYELBSSK-UHFFFAOYSA-N 1 2 418.494 0.688 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1cnc2n(c1=O)CCS2 ZINC000499028503 1079010449 /nfs/dbraw/zinc/01/04/49/1079010449.db2.gz HIGOZVKGIRTJPH-UHFFFAOYSA-N 1 2 416.503 0.990 20 0 HCADLO O=C(Cn1nnc2ccccc2c1=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499029385 1079009938 /nfs/dbraw/zinc/00/99/38/1079009938.db2.gz KWLNFWVALVGZGX-UHFFFAOYSA-N 1 2 423.473 0.819 20 0 HCADLO CN(C)C(=O)Cn1cc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)nn1 ZINC000499029427 1079010081 /nfs/dbraw/zinc/01/00/81/1079010081.db2.gz LAEWIAXCOFTYLI-UHFFFAOYSA-N 1 2 416.482 0.007 20 0 HCADLO COCCN1C[C@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1=O ZINC000499029553 1079010374 /nfs/dbraw/zinc/01/03/74/1079010374.db2.gz QYJJDNAAQCPEPV-GOSISDBHSA-N 1 2 405.495 0.509 20 0 HCADLO O=C(CCN1CCCS1(=O)=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499029554 1079010341 /nfs/dbraw/zinc/01/03/41/1079010341.db2.gz LSRWHTSUZXGDHN-UHFFFAOYSA-N 1 2 411.524 0.439 20 0 HCADLO COCCN1C[C@@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1=O ZINC000499029555 1079010433 /nfs/dbraw/zinc/01/04/33/1079010433.db2.gz QYJJDNAAQCPEPV-SFHVURJKSA-N 1 2 405.495 0.509 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2scc(C)c2C(=O)OC)CC1 ZINC000499035400 1079017310 /nfs/dbraw/zinc/01/73/10/1079017310.db2.gz DSDCHIDBXBLZPP-GFCCVEGCSA-N 1 2 411.480 0.877 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2scc(C)c2C(=O)OC)CC1 ZINC000499035401 1079017483 /nfs/dbraw/zinc/01/74/83/1079017483.db2.gz DSDCHIDBXBLZPP-LBPRGKRZSA-N 1 2 411.480 0.877 20 0 HCADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000499037537 1079018827 /nfs/dbraw/zinc/01/88/27/1079018827.db2.gz RIAUERLKKSKQHH-UHFFFAOYSA-N 1 2 417.491 0.550 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000499037864 1079019086 /nfs/dbraw/zinc/01/90/86/1079019086.db2.gz SPKSNLGPJKQHEH-LLVKDONJSA-N 1 2 412.537 0.967 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000499037865 1079019204 /nfs/dbraw/zinc/01/92/04/1079019204.db2.gz SPKSNLGPJKQHEH-NSHDSACASA-N 1 2 412.537 0.967 20 0 HCADLO COCCn1nc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)ccc1=O ZINC000499037950 1079019176 /nfs/dbraw/zinc/01/91/76/1079019176.db2.gz GDKJNWWSROUBJV-UHFFFAOYSA-N 1 2 416.478 0.531 20 0 HCADLO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1 ZINC000499038217 1079018896 /nfs/dbraw/zinc/01/88/96/1079018896.db2.gz VBQFXPDEUHOJJB-HNNXBMFYSA-N 1 2 418.494 0.813 20 0 HCADLO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1 ZINC000499038218 1079018674 /nfs/dbraw/zinc/01/86/74/1079018674.db2.gz VBQFXPDEUHOJJB-OAHLLOKOSA-N 1 2 418.494 0.813 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)CC1 ZINC000499039035 1079019290 /nfs/dbraw/zinc/01/92/90/1079019290.db2.gz XPADKMGNMFNOBP-JTQLQIEISA-N 1 2 419.404 0.782 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)CC1 ZINC000499039038 1079019233 /nfs/dbraw/zinc/01/92/33/1079019233.db2.gz XPADKMGNMFNOBP-SNVBAGLBSA-N 1 2 419.404 0.782 20 0 HCADLO CC1(C)NC(=O)N(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1=O ZINC000499040513 1079014396 /nfs/dbraw/zinc/01/43/96/1079014396.db2.gz FVSZWGBKCQUQEZ-UHFFFAOYSA-N 1 2 404.467 0.344 20 0 HCADLO O=C(Cn1nc2ccccn2c1=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499040666 1079014341 /nfs/dbraw/zinc/01/43/41/1079014341.db2.gz KPKOXBOJZMLOMP-UHFFFAOYSA-N 1 2 411.462 0.523 20 0 HCADLO O=C(CCCN1C(=O)CNC1=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499041254 1079014847 /nfs/dbraw/zinc/01/48/47/1079014847.db2.gz XALYQSABYDYGLU-UHFFFAOYSA-N 1 2 404.467 0.346 20 0 HCADLO O=C(CCC(=O)N1CCOCC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499042973 1079021893 /nfs/dbraw/zinc/02/18/93/1079021893.db2.gz SBDIZCORRLXVIA-UHFFFAOYSA-N 1 2 405.495 0.653 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000499048182 1079020094 /nfs/dbraw/zinc/02/00/94/1079020094.db2.gz FTYBKHVNCNBOHJ-AWEZNQCLSA-N 1 2 406.439 0.034 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000499048182 1079020090 /nfs/dbraw/zinc/02/00/90/1079020090.db2.gz FTYBKHVNCNBOHJ-AWEZNQCLSA-N 1 2 406.439 0.034 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000499048183 1079019989 /nfs/dbraw/zinc/01/99/89/1079019989.db2.gz FTYBKHVNCNBOHJ-CQSZACIVSA-N 1 2 406.439 0.034 20 0 HCADLO COCCn1c(N)c(C(=O)C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000499048183 1079019982 /nfs/dbraw/zinc/01/99/82/1079019982.db2.gz FTYBKHVNCNBOHJ-CQSZACIVSA-N 1 2 406.439 0.034 20 0 HCADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000499048983 1079020725 /nfs/dbraw/zinc/02/07/25/1079020725.db2.gz KWCGGENOGWKTSY-GOSISDBHSA-N 1 2 411.524 0.881 20 0 HCADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000499048984 1079020794 /nfs/dbraw/zinc/02/07/94/1079020794.db2.gz KWCGGENOGWKTSY-SFHVURJKSA-N 1 2 411.524 0.881 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)cc1 ZINC000499052196 1079022696 /nfs/dbraw/zinc/02/26/96/1079022696.db2.gz AOSKYILVIPNXAT-UHFFFAOYSA-N 1 2 403.508 0.753 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000499052293 1079021286 /nfs/dbraw/zinc/02/12/86/1079021286.db2.gz JAIGDQFGGGLDHP-KRWDZBQOSA-N 1 2 401.554 0.937 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000499052293 1079021278 /nfs/dbraw/zinc/02/12/78/1079021278.db2.gz JAIGDQFGGGLDHP-KRWDZBQOSA-N 1 2 401.554 0.937 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000499052294 1079021235 /nfs/dbraw/zinc/02/12/35/1079021235.db2.gz JAIGDQFGGGLDHP-QGZVFWFLSA-N 1 2 401.554 0.937 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000499052294 1079021230 /nfs/dbraw/zinc/02/12/30/1079021230.db2.gz JAIGDQFGGGLDHP-QGZVFWFLSA-N 1 2 401.554 0.937 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 ZINC000499058359 1079027116 /nfs/dbraw/zinc/02/71/16/1079027116.db2.gz XEPMBFIGQVRCBZ-UHFFFAOYSA-N 1 2 403.508 0.753 20 0 HCADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000499060187 1079023984 /nfs/dbraw/zinc/02/39/84/1079023984.db2.gz UKCMNVUMUGQSKW-KRWDZBQOSA-N 1 2 424.567 0.302 20 0 HCADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000499060189 1079024055 /nfs/dbraw/zinc/02/40/55/1079024055.db2.gz UKCMNVUMUGQSKW-QGZVFWFLSA-N 1 2 424.567 0.302 20 0 HCADLO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499068339 1079028004 /nfs/dbraw/zinc/02/80/04/1079028004.db2.gz HOWBMXSHJDHLBT-MSOLQXFVSA-N 1 2 404.492 0.856 20 0 HCADLO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nn2)[C@H](N2CCOCC2)C1 ZINC000499068340 1079027933 /nfs/dbraw/zinc/02/79/33/1079027933.db2.gz HOWBMXSHJDHLBT-QZTJIDSGSA-N 1 2 404.492 0.856 20 0 HCADLO O=S1(=O)C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nn2)[C@@H](N2CCOCC2)C1 ZINC000499068341 1079027819 /nfs/dbraw/zinc/02/78/19/1079027819.db2.gz HOWBMXSHJDHLBT-ROUUACIJSA-N 1 2 404.492 0.856 20 0 HCADLO O=S1(=O)C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nn2)[C@H](N2CCOCC2)C1 ZINC000499068342 1079027867 /nfs/dbraw/zinc/02/78/67/1079027867.db2.gz HOWBMXSHJDHLBT-ZWKOTPCHSA-N 1 2 404.492 0.856 20 0 HCADLO COCCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000499068554 1079031679 /nfs/dbraw/zinc/03/16/79/1079031679.db2.gz IBCMIJVGIBLAKJ-INIZCTEOSA-N 1 2 404.554 0.963 20 0 HCADLO COCCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000499068554 1079031675 /nfs/dbraw/zinc/03/16/75/1079031675.db2.gz IBCMIJVGIBLAKJ-INIZCTEOSA-N 1 2 404.554 0.963 20 0 HCADLO COCCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000499068555 1079031715 /nfs/dbraw/zinc/03/17/15/1079031715.db2.gz IBCMIJVGIBLAKJ-MRXNPFEDSA-N 1 2 404.554 0.963 20 0 HCADLO COCCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000499068555 1079031710 /nfs/dbraw/zinc/03/17/10/1079031710.db2.gz IBCMIJVGIBLAKJ-MRXNPFEDSA-N 1 2 404.554 0.963 20 0 HCADLO Cc1cc(N2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000499080343 1079034454 /nfs/dbraw/zinc/03/44/54/1079034454.db2.gz XDSXUKBXYOZJGK-UHFFFAOYSA-N 1 2 416.569 0.937 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000499118476 1079047997 /nfs/dbraw/zinc/04/79/97/1079047997.db2.gz QMIZFYIYLXEWDI-KRWDZBQOSA-N 1 2 410.540 0.326 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000499118476 1079047994 /nfs/dbraw/zinc/04/79/94/1079047994.db2.gz QMIZFYIYLXEWDI-KRWDZBQOSA-N 1 2 410.540 0.326 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000499118477 1079047902 /nfs/dbraw/zinc/04/79/02/1079047902.db2.gz QMIZFYIYLXEWDI-QGZVFWFLSA-N 1 2 410.540 0.326 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000499118477 1079047896 /nfs/dbraw/zinc/04/78/96/1079047896.db2.gz QMIZFYIYLXEWDI-QGZVFWFLSA-N 1 2 410.540 0.326 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000499119295 1079047923 /nfs/dbraw/zinc/04/79/23/1079047923.db2.gz DFIZHGWOPYOARY-KRWDZBQOSA-N 1 2 408.524 0.556 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000499119295 1079047921 /nfs/dbraw/zinc/04/79/21/1079047921.db2.gz DFIZHGWOPYOARY-KRWDZBQOSA-N 1 2 408.524 0.556 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000499119296 1079047985 /nfs/dbraw/zinc/04/79/85/1079047985.db2.gz DFIZHGWOPYOARY-QGZVFWFLSA-N 1 2 408.524 0.556 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000499119296 1079047981 /nfs/dbraw/zinc/04/79/81/1079047981.db2.gz DFIZHGWOPYOARY-QGZVFWFLSA-N 1 2 408.524 0.556 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000499123496 1079046164 /nfs/dbraw/zinc/04/61/64/1079046164.db2.gz RTLBLBPYRYPBLK-KBXCAEBGSA-N 1 2 422.551 0.944 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000499123496 1079046159 /nfs/dbraw/zinc/04/61/59/1079046159.db2.gz RTLBLBPYRYPBLK-KBXCAEBGSA-N 1 2 422.551 0.944 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000499123497 1079046255 /nfs/dbraw/zinc/04/62/55/1079046255.db2.gz RTLBLBPYRYPBLK-KDOFPFPSSA-N 1 2 422.551 0.944 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000499123497 1079046252 /nfs/dbraw/zinc/04/62/52/1079046252.db2.gz RTLBLBPYRYPBLK-KDOFPFPSSA-N 1 2 422.551 0.944 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000499123498 1079046194 /nfs/dbraw/zinc/04/61/94/1079046194.db2.gz RTLBLBPYRYPBLK-KSSFIOAISA-N 1 2 422.551 0.944 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000499123498 1079046189 /nfs/dbraw/zinc/04/61/89/1079046189.db2.gz RTLBLBPYRYPBLK-KSSFIOAISA-N 1 2 422.551 0.944 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000499123499 1079046331 /nfs/dbraw/zinc/04/63/31/1079046331.db2.gz RTLBLBPYRYPBLK-RDTXWAMCSA-N 1 2 422.551 0.944 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000499123499 1079046327 /nfs/dbraw/zinc/04/63/27/1079046327.db2.gz RTLBLBPYRYPBLK-RDTXWAMCSA-N 1 2 422.551 0.944 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000499124968 1079047146 /nfs/dbraw/zinc/04/71/46/1079047146.db2.gz PTIQXCGMWKWTHF-INIZCTEOSA-N 1 2 404.577 0.496 20 0 HCADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000499124968 1079047136 /nfs/dbraw/zinc/04/71/36/1079047136.db2.gz PTIQXCGMWKWTHF-INIZCTEOSA-N 1 2 404.577 0.496 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000499124969 1079047022 /nfs/dbraw/zinc/04/70/22/1079047022.db2.gz PTIQXCGMWKWTHF-MRXNPFEDSA-N 1 2 404.577 0.496 20 0 HCADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000499124969 1079047018 /nfs/dbraw/zinc/04/70/18/1079047018.db2.gz PTIQXCGMWKWTHF-MRXNPFEDSA-N 1 2 404.577 0.496 20 0 HCADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000499128429 1079048829 /nfs/dbraw/zinc/04/88/29/1079048829.db2.gz DRGYVRCUXYXQFT-HNNXBMFYSA-N 1 2 412.556 0.554 20 0 HCADLO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000499128430 1079048794 /nfs/dbraw/zinc/04/87/94/1079048794.db2.gz DRGYVRCUXYXQFT-OAHLLOKOSA-N 1 2 412.556 0.554 20 0 HCADLO CN1C(=O)c2ccc(NC(=O)C[N@@H+](CCO)CCOCC(F)(F)F)cc2C1=O ZINC000499135272 1079052628 /nfs/dbraw/zinc/05/26/28/1079052628.db2.gz KIMHNFYLWMDQOJ-UHFFFAOYSA-N 1 2 403.357 0.724 20 0 HCADLO CN1C(=O)c2ccc(NC(=O)C[N@H+](CCO)CCOCC(F)(F)F)cc2C1=O ZINC000499135272 1079052625 /nfs/dbraw/zinc/05/26/25/1079052625.db2.gz KIMHNFYLWMDQOJ-UHFFFAOYSA-N 1 2 403.357 0.724 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000499139442 1079053946 /nfs/dbraw/zinc/05/39/46/1079053946.db2.gz PFEIYJDISCSGFZ-UHFFFAOYSA-N 1 2 403.464 0.584 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000499143631 1079056246 /nfs/dbraw/zinc/05/62/46/1079056246.db2.gz AHTSQEBAPUZURM-UHFFFAOYSA-N 1 2 417.491 0.974 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCOCC1 ZINC000499146114 1079056952 /nfs/dbraw/zinc/05/69/52/1079056952.db2.gz JJYNDWGRAKFLKW-HNNXBMFYSA-N 1 2 412.512 0.136 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCOCC1 ZINC000499146115 1079056881 /nfs/dbraw/zinc/05/68/81/1079056881.db2.gz JJYNDWGRAKFLKW-OAHLLOKOSA-N 1 2 412.512 0.136 20 0 HCADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000499149708 1079060985 /nfs/dbraw/zinc/06/09/85/1079060985.db2.gz VTPFJNAJIBMDMG-UHFFFAOYSA-N 1 2 416.503 0.925 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000499150303 1079061413 /nfs/dbraw/zinc/06/14/13/1079061413.db2.gz WAOYKKDENWKSQF-UHFFFAOYSA-N 1 2 413.459 0.834 20 0 HCADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000499153684 1079063419 /nfs/dbraw/zinc/06/34/19/1079063419.db2.gz SISNGDBWZDNALL-UHFFFAOYSA-N 1 2 416.503 0.925 20 0 HCADLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000499162295 1079069688 /nfs/dbraw/zinc/06/96/88/1079069688.db2.gz AVDQPYFWMWJRBH-KRWDZBQOSA-N 1 2 412.512 0.292 20 0 HCADLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000499162295 1079069682 /nfs/dbraw/zinc/06/96/82/1079069682.db2.gz AVDQPYFWMWJRBH-KRWDZBQOSA-N 1 2 412.512 0.292 20 0 HCADLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000499162296 1079069767 /nfs/dbraw/zinc/06/97/67/1079069767.db2.gz AVDQPYFWMWJRBH-QGZVFWFLSA-N 1 2 412.512 0.292 20 0 HCADLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000499162296 1079069763 /nfs/dbraw/zinc/06/97/63/1079069763.db2.gz AVDQPYFWMWJRBH-QGZVFWFLSA-N 1 2 412.512 0.292 20 0 HCADLO O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000499166583 1079072163 /nfs/dbraw/zinc/07/21/63/1079072163.db2.gz FASLHIXXMQIALO-KRWDZBQOSA-N 1 2 412.512 0.150 20 0 HCADLO O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000499166583 1079072156 /nfs/dbraw/zinc/07/21/56/1079072156.db2.gz FASLHIXXMQIALO-KRWDZBQOSA-N 1 2 412.512 0.150 20 0 HCADLO O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000499166585 1079072284 /nfs/dbraw/zinc/07/22/84/1079072284.db2.gz FASLHIXXMQIALO-QGZVFWFLSA-N 1 2 412.512 0.150 20 0 HCADLO O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000499166585 1079072276 /nfs/dbraw/zinc/07/22/76/1079072276.db2.gz FASLHIXXMQIALO-QGZVFWFLSA-N 1 2 412.512 0.150 20 0 HCADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000499175863 1079078328 /nfs/dbraw/zinc/07/83/28/1079078328.db2.gz GVZNHGITPCRGBT-WBVHZDCISA-N 1 2 405.586 0.372 20 0 HCADLO Cc1ccc(F)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1F ZINC000499225033 1079105393 /nfs/dbraw/zinc/10/53/93/1079105393.db2.gz YHVORQZPGQYYCD-UHFFFAOYSA-N 1 2 402.467 0.523 20 0 HCADLO Cc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1CC(C)C ZINC000499232434 1079102517 /nfs/dbraw/zinc/10/25/17/1079102517.db2.gz SXNNOXZXHSYORK-UHFFFAOYSA-N 1 2 412.560 0.098 20 0 HCADLO CSc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1F ZINC000499235215 1079104103 /nfs/dbraw/zinc/10/41/03/1079104103.db2.gz ZVLPSZZQAIDGKQ-UHFFFAOYSA-N 1 2 416.544 0.798 20 0 HCADLO O=C(C[N@H+]1CCOC2(CCC2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000499247439 1079110988 /nfs/dbraw/zinc/11/09/88/1079110988.db2.gz HQIAENLFIRBOPZ-UHFFFAOYSA-N 1 2 411.499 0.914 20 0 HCADLO O=C(C[N@@H+]1CCOC2(CCC2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000499247439 1079110982 /nfs/dbraw/zinc/11/09/82/1079110982.db2.gz HQIAENLFIRBOPZ-UHFFFAOYSA-N 1 2 411.499 0.914 20 0 HCADLO O=C(C[N@H+]1CCOC2(CCC2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000499250078 1079113811 /nfs/dbraw/zinc/11/38/11/1079113811.db2.gz MWLQYAIBSHMNFW-UHFFFAOYSA-N 1 2 407.536 0.916 20 0 HCADLO O=C(C[N@@H+]1CCOC2(CCC2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000499250078 1079113809 /nfs/dbraw/zinc/11/38/09/1079113809.db2.gz MWLQYAIBSHMNFW-UHFFFAOYSA-N 1 2 407.536 0.916 20 0 HCADLO COC1CCC(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000499256525 1079117311 /nfs/dbraw/zinc/11/73/11/1079117311.db2.gz PZNVABJOGIITSJ-UHFFFAOYSA-N 1 2 415.498 0.333 20 0 HCADLO O=C(C[N@H+]1CCOC2(CCC2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000499260410 1079123139 /nfs/dbraw/zinc/12/31/39/1079123139.db2.gz GLZSNURMPARYDX-UHFFFAOYSA-N 1 2 411.499 0.914 20 0 HCADLO O=C(C[N@@H+]1CCOC2(CCC2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000499260410 1079123135 /nfs/dbraw/zinc/12/31/35/1079123135.db2.gz GLZSNURMPARYDX-UHFFFAOYSA-N 1 2 411.499 0.914 20 0 HCADLO O=C(C[N@H+]1CCOC2(CCC2)C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000499260485 1079123201 /nfs/dbraw/zinc/12/32/01/1079123201.db2.gz GYKJATYLRHCNEL-UHFFFAOYSA-N 1 2 411.499 0.914 20 0 HCADLO O=C(C[N@@H+]1CCOC2(CCC2)C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000499260485 1079123198 /nfs/dbraw/zinc/12/31/98/1079123198.db2.gz GYKJATYLRHCNEL-UHFFFAOYSA-N 1 2 411.499 0.914 20 0 HCADLO Cc1cc(N2CCN(C(=O)CN3CCN4C(=O)CC[C@H]4C3)CC2)nc(C(C)C)[nH+]1 ZINC000499262896 1079121107 /nfs/dbraw/zinc/12/11/07/1079121107.db2.gz OJCXSZSGYQGNPE-KRWDZBQOSA-N 1 2 400.527 0.864 20 0 HCADLO Cc1cc(N2CCN(C(=O)CN3CCN4C(=O)CC[C@@H]4C3)CC2)nc(C(C)C)[nH+]1 ZINC000499262897 1079121026 /nfs/dbraw/zinc/12/10/26/1079121026.db2.gz OJCXSZSGYQGNPE-QGZVFWFLSA-N 1 2 400.527 0.864 20 0 HCADLO O=C(C[N@H+]1CCOC2(CCC2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000499269910 1079126994 /nfs/dbraw/zinc/12/69/94/1079126994.db2.gz ZYZQWMRVKCBFID-IBGZPJMESA-N 1 2 415.490 0.752 20 0 HCADLO O=C(C[N@@H+]1CCOC2(CCC2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000499269910 1079126989 /nfs/dbraw/zinc/12/69/89/1079126989.db2.gz ZYZQWMRVKCBFID-IBGZPJMESA-N 1 2 415.490 0.752 20 0 HCADLO O=C(C[N@H+]1CCOC2(CCC2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000499269913 1079126953 /nfs/dbraw/zinc/12/69/53/1079126953.db2.gz ZYZQWMRVKCBFID-LJQANCHMSA-N 1 2 415.490 0.752 20 0 HCADLO O=C(C[N@@H+]1CCOC2(CCC2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000499269913 1079126942 /nfs/dbraw/zinc/12/69/42/1079126942.db2.gz ZYZQWMRVKCBFID-LJQANCHMSA-N 1 2 415.490 0.752 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1F ZINC000499271840 1079129479 /nfs/dbraw/zinc/12/94/79/1079129479.db2.gz IAEQDNNFJSKBMA-CYBMUJFWSA-N 1 2 421.454 0.462 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1F ZINC000499271844 1079129609 /nfs/dbraw/zinc/12/96/09/1079129609.db2.gz IAEQDNNFJSKBMA-ZDUSSCGKSA-N 1 2 421.454 0.462 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCOC3(CCC3)C2)CC1 ZINC000499273451 1079129579 /nfs/dbraw/zinc/12/95/79/1079129579.db2.gz INJHOQHCXCODOU-UHFFFAOYSA-N 1 2 412.512 0.379 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCOC3(CCC3)C2)CC1 ZINC000499273451 1079129574 /nfs/dbraw/zinc/12/95/74/1079129574.db2.gz INJHOQHCXCODOU-UHFFFAOYSA-N 1 2 412.512 0.379 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000499274426 1079129922 /nfs/dbraw/zinc/12/99/22/1079129922.db2.gz WGIFUQCKWICTCD-AWEZNQCLSA-N 1 2 415.498 0.474 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000499274429 1079129944 /nfs/dbraw/zinc/12/99/44/1079129944.db2.gz WGIFUQCKWICTCD-CQSZACIVSA-N 1 2 415.498 0.474 20 0 HCADLO COc1cc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc(S(C)(=O)=O)c1 ZINC000499275194 1079127362 /nfs/dbraw/zinc/12/73/62/1079127362.db2.gz OQRPAOJAGBMRSA-CYBMUJFWSA-N 1 2 418.475 0.827 20 0 HCADLO COc1cc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc(S(C)(=O)=O)c1 ZINC000499275197 1079127426 /nfs/dbraw/zinc/12/74/26/1079127426.db2.gz OQRPAOJAGBMRSA-ZDUSSCGKSA-N 1 2 418.475 0.827 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCOC4(CCC4)C3)CC2)cc1 ZINC000499275780 1079127494 /nfs/dbraw/zinc/12/74/94/1079127494.db2.gz NACJBNKBZXBUII-UHFFFAOYSA-N 1 2 423.535 0.783 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCOC4(CCC4)C3)CC2)cc1 ZINC000499275780 1079127490 /nfs/dbraw/zinc/12/74/90/1079127490.db2.gz NACJBNKBZXBUII-UHFFFAOYSA-N 1 2 423.535 0.783 20 0 HCADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000499281041 1079131521 /nfs/dbraw/zinc/13/15/21/1079131521.db2.gz PQMPYXNKPZZUGC-KRWDZBQOSA-N 1 2 411.462 0.791 20 0 HCADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000499281043 1079131742 /nfs/dbraw/zinc/13/17/42/1079131742.db2.gz PQMPYXNKPZZUGC-QGZVFWFLSA-N 1 2 411.462 0.791 20 0 HCADLO COc1cc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc(S(C)(=O)=O)c1 ZINC000499282574 1079131703 /nfs/dbraw/zinc/13/17/03/1079131703.db2.gz UVXSGNXVRBWQBN-GFCCVEGCSA-N 1 2 406.464 0.787 20 0 HCADLO COc1cc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc(S(C)(=O)=O)c1 ZINC000499282575 1079131593 /nfs/dbraw/zinc/13/15/93/1079131593.db2.gz UVXSGNXVRBWQBN-LBPRGKRZSA-N 1 2 406.464 0.787 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC2CCC(OC)CC2)CC1 ZINC000499289186 1079130644 /nfs/dbraw/zinc/13/06/44/1079130644.db2.gz PXIREWKPUXSXJB-UHFFFAOYSA-N 1 2 410.559 0.711 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC2CCC(OC)CC2)CC1 ZINC000499289186 1079130641 /nfs/dbraw/zinc/13/06/41/1079130641.db2.gz PXIREWKPUXSXJB-UHFFFAOYSA-N 1 2 410.559 0.711 20 0 HCADLO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1F ZINC000499292144 1079134571 /nfs/dbraw/zinc/13/45/71/1079134571.db2.gz PIQOJSVPKXAQJE-GFCCVEGCSA-N 1 2 423.470 0.764 20 0 HCADLO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1F ZINC000499292145 1079134636 /nfs/dbraw/zinc/13/46/36/1079134636.db2.gz PIQOJSVPKXAQJE-LBPRGKRZSA-N 1 2 423.470 0.764 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000499320126 1079143823 /nfs/dbraw/zinc/14/38/23/1079143823.db2.gz JWCPBQYVBPRNOK-GDBMZVCRSA-N 1 2 400.545 0.448 20 0 HCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000499320127 1079143986 /nfs/dbraw/zinc/14/39/86/1079143986.db2.gz JWCPBQYVBPRNOK-GOEBONIOSA-N 1 2 400.545 0.448 20 0 HCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000499320283 1079143871 /nfs/dbraw/zinc/14/38/71/1079143871.db2.gz JWCPBQYVBPRNOK-HOCLYGCPSA-N 1 2 400.545 0.448 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000499320284 1079143831 /nfs/dbraw/zinc/14/38/31/1079143831.db2.gz JWCPBQYVBPRNOK-ZBFHGGJFSA-N 1 2 400.545 0.448 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000499353796 1079449568 /nfs/dbraw/zinc/44/95/68/1079449568.db2.gz ZPWDSZSQKMXXDM-INIZCTEOSA-N 1 2 410.559 0.851 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000499353796 1079449555 /nfs/dbraw/zinc/44/95/55/1079449555.db2.gz ZPWDSZSQKMXXDM-INIZCTEOSA-N 1 2 410.559 0.851 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000499353797 1079449486 /nfs/dbraw/zinc/44/94/86/1079449486.db2.gz ZPWDSZSQKMXXDM-MRXNPFEDSA-N 1 2 410.559 0.851 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000499353797 1079449478 /nfs/dbraw/zinc/44/94/78/1079449478.db2.gz ZPWDSZSQKMXXDM-MRXNPFEDSA-N 1 2 410.559 0.851 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C ZINC000499411832 1080332173 /nfs/dbraw/zinc/33/21/73/1080332173.db2.gz ADPZYBDKPGNDRO-UHFFFAOYSA-N 1 2 406.464 0.952 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000499415607 1080336208 /nfs/dbraw/zinc/33/62/08/1080336208.db2.gz SCZCETHCQPSGDM-UHFFFAOYSA-N 1 2 408.505 0.509 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000499415607 1080336198 /nfs/dbraw/zinc/33/61/98/1080336198.db2.gz SCZCETHCQPSGDM-UHFFFAOYSA-N 1 2 408.505 0.509 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)ccc1F ZINC000499416691 1080337463 /nfs/dbraw/zinc/33/74/63/1080337463.db2.gz VBLZGJGQUWZFEX-UHFFFAOYSA-N 1 2 405.411 0.636 20 0 HCADLO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)ccc1F ZINC000499419025 1080342031 /nfs/dbraw/zinc/34/20/31/1080342031.db2.gz KNSHOLIBEQHOMC-UHFFFAOYSA-N 1 2 419.438 0.979 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000499425239 1080358118 /nfs/dbraw/zinc/35/81/18/1080358118.db2.gz WWDZQGDITSDJCY-UHFFFAOYSA-N 1 2 417.422 0.914 20 0 HCADLO COC(=O)c1c(C)csc1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000499429179 1080372599 /nfs/dbraw/zinc/37/25/99/1080372599.db2.gz AWQXDAZGCLVNNI-UHFFFAOYSA-N 1 2 421.479 0.949 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000499430270 1080379669 /nfs/dbraw/zinc/37/96/69/1080379669.db2.gz BVWZDFKGUKMFAH-AWEZNQCLSA-N 1 2 422.438 0.747 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000499430271 1080379467 /nfs/dbraw/zinc/37/94/67/1080379467.db2.gz BVWZDFKGUKMFAH-CQSZACIVSA-N 1 2 422.438 0.747 20 0 HCADLO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)ccc1F ZINC000499433794 1080381772 /nfs/dbraw/zinc/38/17/72/1080381772.db2.gz DHHXSBYPCYFSGV-UHFFFAOYSA-N 1 2 411.459 0.760 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000499435216 1080383939 /nfs/dbraw/zinc/38/39/39/1080383939.db2.gz MYUZRQLQJGOHTE-UHFFFAOYSA-N 1 2 418.475 0.743 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000499437310 1080384404 /nfs/dbraw/zinc/38/44/04/1080384404.db2.gz PJILWFXJQLLVJO-DOMZBBRYSA-N 1 2 423.470 0.979 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000499437312 1080384739 /nfs/dbraw/zinc/38/47/39/1080384739.db2.gz PJILWFXJQLLVJO-IUODEOHRSA-N 1 2 423.470 0.979 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000499437313 1080384489 /nfs/dbraw/zinc/38/44/89/1080384489.db2.gz PJILWFXJQLLVJO-SWLSCSKDSA-N 1 2 423.470 0.979 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000499437314 1080384513 /nfs/dbraw/zinc/38/45/13/1080384513.db2.gz PJILWFXJQLLVJO-WFASDCNBSA-N 1 2 423.470 0.979 20 0 HCADLO COC(=O)CCN1CC[C@H](NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1=O ZINC000499481163 1080479326 /nfs/dbraw/zinc/47/93/26/1080479326.db2.gz WJAFSYGDJXZWCC-KRWDZBQOSA-N 1 2 420.514 0.028 20 0 HCADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1=O ZINC000499481164 1080479292 /nfs/dbraw/zinc/47/92/92/1080479292.db2.gz WJAFSYGDJXZWCC-QGZVFWFLSA-N 1 2 420.514 0.028 20 0 HCADLO CC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOCC1 ZINC000499483634 1080487414 /nfs/dbraw/zinc/48/74/14/1080487414.db2.gz JADDWZYYEYOXSQ-UHFFFAOYSA-N 1 2 404.515 0.962 20 0 HCADLO CC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCOCC1 ZINC000499483634 1080487404 /nfs/dbraw/zinc/48/74/04/1080487404.db2.gz JADDWZYYEYOXSQ-UHFFFAOYSA-N 1 2 404.515 0.962 20 0 HCADLO COC(=O)CCN1CC[C@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1=O ZINC000499495992 1080521632 /nfs/dbraw/zinc/52/16/32/1080521632.db2.gz GPQPTMAVFFRMJJ-KRWDZBQOSA-N 1 2 413.478 0.937 20 0 HCADLO COC(=O)CCN1CC[C@@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1=O ZINC000499495997 1080521356 /nfs/dbraw/zinc/52/13/56/1080521356.db2.gz GPQPTMAVFFRMJJ-QGZVFWFLSA-N 1 2 413.478 0.937 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN2CCN(CC[N@@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000499536414 1080596461 /nfs/dbraw/zinc/59/64/61/1080596461.db2.gz CKHNZMBRYDWIEC-IBGZPJMESA-N 1 2 410.584 0.612 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN2CCN(CC[N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000499536414 1080596455 /nfs/dbraw/zinc/59/64/55/1080596455.db2.gz CKHNZMBRYDWIEC-IBGZPJMESA-N 1 2 410.584 0.612 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN2CCN(CC[N@@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000499536417 1080596386 /nfs/dbraw/zinc/59/63/86/1080596386.db2.gz CKHNZMBRYDWIEC-LJQANCHMSA-N 1 2 410.584 0.612 20 0 HCADLO Cc1ccc(S(=O)(=O)NCCN2CCN(CC[N@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000499536417 1080596379 /nfs/dbraw/zinc/59/63/79/1080596379.db2.gz CKHNZMBRYDWIEC-LJQANCHMSA-N 1 2 410.584 0.612 20 0 HCADLO O=C(CN1CC[NH+](CCCCC2CCOCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000499536761 1080594465 /nfs/dbraw/zinc/59/44/65/1080594465.db2.gz FMFLCNJTSIZMQR-GOSISDBHSA-N 1 2 401.573 0.504 20 0 HCADLO O=C(CN1CC[NH+](CCCCC2CCOCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000499536775 1080594386 /nfs/dbraw/zinc/59/43/86/1080594386.db2.gz FMFLCNJTSIZMQR-SFHVURJKSA-N 1 2 401.573 0.504 20 0 HCADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000499578554 1080753828 /nfs/dbraw/zinc/75/38/28/1080753828.db2.gz YCMRHNQXQARFPE-UHFFFAOYSA-N 1 2 422.489 0.685 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000499600111 1080777267 /nfs/dbraw/zinc/77/72/67/1080777267.db2.gz KFDFWRFGMMXNIK-UHFFFAOYSA-N 1 2 424.505 0.833 20 0 HCADLO CCc1cccnc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499617275 1080802933 /nfs/dbraw/zinc/80/29/33/1080802933.db2.gz KTPUNWSPKDZORR-UHFFFAOYSA-N 1 2 403.508 0.921 20 0 HCADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000499636174 1080837424 /nfs/dbraw/zinc/83/74/24/1080837424.db2.gz MIIVXEOZTTYHNA-UHFFFAOYSA-N 1 2 413.463 0.679 20 0 HCADLO COc1ccc(Cl)cc1CS(=O)(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000499645427 1080850504 /nfs/dbraw/zinc/85/05/04/1080850504.db2.gz HLKQDUWCRMKAIG-AWEZNQCLSA-N 1 2 405.904 0.296 20 0 HCADLO COc1ccc(Cl)cc1CS(=O)(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000499645427 1080850503 /nfs/dbraw/zinc/85/05/03/1080850503.db2.gz HLKQDUWCRMKAIG-AWEZNQCLSA-N 1 2 405.904 0.296 20 0 HCADLO COc1ccc(Cl)cc1CS(=O)(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000499645445 1080850442 /nfs/dbraw/zinc/85/04/42/1080850442.db2.gz HLKQDUWCRMKAIG-CQSZACIVSA-N 1 2 405.904 0.296 20 0 HCADLO COc1ccc(Cl)cc1CS(=O)(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000499645445 1080850437 /nfs/dbraw/zinc/85/04/37/1080850437.db2.gz HLKQDUWCRMKAIG-CQSZACIVSA-N 1 2 405.904 0.296 20 0 HCADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 ZINC000499646983 1080850461 /nfs/dbraw/zinc/85/04/61/1080850461.db2.gz FYJAEGSHEYSEDM-ZDUSSCGKSA-N 1 2 407.446 0.209 20 0 HCADLO C1CC1[C@H]1OCC[C@H]1Nc1nc(N[C@@H]2CCO[C@@H]2C2CC2)[nH+]c(N2CCOCC2)n1 ZINC000499647223 1080853921 /nfs/dbraw/zinc/85/39/21/1080853921.db2.gz QRQBCJALYSVSOT-BRSBDYLESA-N 1 2 416.526 0.511 20 0 HCADLO C1CC1[C@H]1OCC[C@H]1Nc1nc(N2CCOCC2)nc(N[C@@H]2CCO[C@H]2C2CC2)[nH+]1 ZINC000499647224 1080853900 /nfs/dbraw/zinc/85/39/00/1080853900.db2.gz QRQBCJALYSVSOT-TVFCKZIOSA-N 1 2 416.526 0.511 20 0 HCADLO C1CC1[C@H]1OCC[C@H]1Nc1nc(N2CCOCC2)nc(N[C@H]2CCO[C@H]2C2CC2)[nH+]1 ZINC000499647225 1080853981 /nfs/dbraw/zinc/85/39/81/1080853981.db2.gz QRQBCJALYSVSOT-USTZCAOPSA-N 1 2 416.526 0.511 20 0 HCADLO C1CC1[C@H]1OCC[C@H]1Nc1nc(N2CCOCC2)nc(N[C@H]2CCO[C@@H]2C2CC2)[nH+]1 ZINC000499647687 1080853393 /nfs/dbraw/zinc/85/33/93/1080853393.db2.gz QRQBCJALYSVSOT-XMTFNYHQSA-N 1 2 416.526 0.511 20 0 HCADLO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCc3ccn4cc[nH+]c4c3)C2)nc1 ZINC000499648662 1080854488 /nfs/dbraw/zinc/85/44/88/1080854488.db2.gz JGZINVMCGHPKCJ-UHFFFAOYSA-N 1 2 422.445 0.527 20 0 HCADLO COCCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000499649230 1080856651 /nfs/dbraw/zinc/85/66/51/1080856651.db2.gz KXWSZKPVYVLVPK-HNNXBMFYSA-N 1 2 409.483 0.574 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000499652586 1080859922 /nfs/dbraw/zinc/85/99/22/1080859922.db2.gz UHKSIICYCFPATE-GDBMZVCRSA-N 1 2 401.467 0.340 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000499652587 1080859990 /nfs/dbraw/zinc/85/99/90/1080859990.db2.gz UHKSIICYCFPATE-GOEBONIOSA-N 1 2 401.467 0.340 20 0 HCADLO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000499652588 1080859919 /nfs/dbraw/zinc/85/99/19/1080859919.db2.gz UHKSIICYCFPATE-HOCLYGCPSA-N 1 2 401.467 0.340 20 0 HCADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000499652589 1080859950 /nfs/dbraw/zinc/85/99/50/1080859950.db2.gz UHKSIICYCFPATE-ZBFHGGJFSA-N 1 2 401.467 0.340 20 0 HCADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CC1 ZINC000499652874 1080858324 /nfs/dbraw/zinc/85/83/24/1080858324.db2.gz VBUKZPSKMZTFNF-ZDUSSCGKSA-N 1 2 412.437 0.265 20 0 HCADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OC2CCOCC2)CC1 ZINC000499653544 1080865447 /nfs/dbraw/zinc/86/54/47/1080865447.db2.gz XDEQUDOXPMROFP-AWEZNQCLSA-N 1 2 409.458 0.847 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(=O)n(C)c1=O ZINC000499655234 1080871570 /nfs/dbraw/zinc/87/15/70/1080871570.db2.gz ORXYLRZSOXYZNZ-CYBMUJFWSA-N 1 2 407.496 0.185 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(=O)n(C)c1=O ZINC000499655237 1080871506 /nfs/dbraw/zinc/87/15/06/1080871506.db2.gz ORXYLRZSOXYZNZ-ZDUSSCGKSA-N 1 2 407.496 0.185 20 0 HCADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000499655656 1080871479 /nfs/dbraw/zinc/87/14/79/1080871479.db2.gz FURKQIJCGMGWFA-KRWDZBQOSA-N 1 2 406.446 0.653 20 0 HCADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000499655664 1080871491 /nfs/dbraw/zinc/87/14/91/1080871491.db2.gz FURKQIJCGMGWFA-QGZVFWFLSA-N 1 2 406.446 0.653 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C ZINC000499658937 1080873522 /nfs/dbraw/zinc/87/35/22/1080873522.db2.gz RYFBOLOLLMSHLZ-CABCVRRESA-N 1 2 409.508 0.701 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C ZINC000499658948 1080874289 /nfs/dbraw/zinc/87/42/89/1080874289.db2.gz RYFBOLOLLMSHLZ-GJZGRUSLSA-N 1 2 409.508 0.701 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C ZINC000499658949 1080874361 /nfs/dbraw/zinc/87/43/61/1080874361.db2.gz RYFBOLOLLMSHLZ-HUUCEWRRSA-N 1 2 409.508 0.701 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C ZINC000499658950 1080874349 /nfs/dbraw/zinc/87/43/49/1080874349.db2.gz RYFBOLOLLMSHLZ-LSDHHAIUSA-N 1 2 409.508 0.701 20 0 HCADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000499660612 1080970702 /nfs/dbraw/zinc/97/07/02/1080970702.db2.gz LRWIHEROTGMMCA-UHFFFAOYSA-N 1 2 401.364 0.995 20 0 HCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499663292 1080980030 /nfs/dbraw/zinc/98/00/30/1080980030.db2.gz XTSNRPOWMXVDDK-JYJNAYRXSA-N 1 2 423.473 0.350 20 0 HCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499663294 1080979872 /nfs/dbraw/zinc/97/98/72/1080979872.db2.gz XTSNRPOWMXVDDK-OAGGEKHMSA-N 1 2 423.473 0.350 20 0 HCADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499663296 1080980133 /nfs/dbraw/zinc/98/01/33/1080980133.db2.gz XTSNRPOWMXVDDK-PMPSAXMXSA-N 1 2 423.473 0.350 20 0 HCADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499663299 1080979927 /nfs/dbraw/zinc/97/99/27/1080979927.db2.gz XTSNRPOWMXVDDK-XHSDSOJGSA-N 1 2 423.473 0.350 20 0 HCADLO COc1ccc2c(ncnc2N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1F ZINC000499666224 1080996494 /nfs/dbraw/zinc/99/64/94/1080996494.db2.gz HCXMJHJMWINEEV-UHFFFAOYSA-N 1 2 424.502 0.392 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000499666644 1080996294 /nfs/dbraw/zinc/99/62/94/1080996294.db2.gz IQUJTMDGMXXLFJ-AWEZNQCLSA-N 1 2 404.558 0.668 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000499666645 1080996526 /nfs/dbraw/zinc/99/65/26/1080996526.db2.gz IQUJTMDGMXXLFJ-CQSZACIVSA-N 1 2 404.558 0.668 20 0 HCADLO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499668522 1080994679 /nfs/dbraw/zinc/99/46/79/1080994679.db2.gz KRGPMIDDQPWDRW-BEFAXECRSA-N 1 2 405.495 0.289 20 0 HCADLO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499668523 1080995018 /nfs/dbraw/zinc/99/50/18/1080995018.db2.gz KRGPMIDDQPWDRW-DNVCBOLYSA-N 1 2 405.495 0.289 20 0 HCADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499668524 1080995497 /nfs/dbraw/zinc/99/54/97/1080995497.db2.gz KRGPMIDDQPWDRW-HNAYVOBHSA-N 1 2 405.495 0.289 20 0 HCADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499668525 1080995603 /nfs/dbraw/zinc/99/56/03/1080995603.db2.gz KRGPMIDDQPWDRW-KXBFYZLASA-N 1 2 405.495 0.289 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C ZINC000499669137 1080998653 /nfs/dbraw/zinc/99/86/53/1080998653.db2.gz GHISTBNUHCXHNL-UHFFFAOYSA-N 1 2 414.466 0.503 20 0 HCADLO C[C@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCN1c1nccn2cnnc12 ZINC000499669747 1080998392 /nfs/dbraw/zinc/99/83/92/1080998392.db2.gz OTLVVCBJLIPDJK-AWEZNQCLSA-N 1 2 419.449 0.126 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCN1c1nccn2cnnc12 ZINC000499669750 1080998199 /nfs/dbraw/zinc/99/81/99/1080998199.db2.gz OTLVVCBJLIPDJK-CQSZACIVSA-N 1 2 419.449 0.126 20 0 HCADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1=O ZINC000499677644 1081027146 /nfs/dbraw/zinc/02/71/46/1081027146.db2.gz PUHRSUCHGOVZMC-HNNXBMFYSA-N 1 2 409.450 0.479 20 0 HCADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1=O ZINC000499677674 1081026934 /nfs/dbraw/zinc/02/69/34/1081026934.db2.gz PUHRSUCHGOVZMC-OAHLLOKOSA-N 1 2 409.450 0.479 20 0 HCADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000499686158 1081047150 /nfs/dbraw/zinc/04/71/50/1081047150.db2.gz SYDSEQXDMYXWJS-NSHDSACASA-N 1 2 422.283 0.856 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3ccc(CS(N)(=O)=O)cc3)CC2)cc1 ZINC000499709479 1081089832 /nfs/dbraw/zinc/08/98/32/1081089832.db2.gz BVIOQFYUWDUGCH-UHFFFAOYSA-N 1 2 416.503 0.532 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@@H](C)O)cc1 ZINC000499716425 1081105823 /nfs/dbraw/zinc/10/58/23/1081105823.db2.gz YERZDRUATHHEGT-BEFAXECRSA-N 1 2 420.535 0.914 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@@H](C)O)cc1 ZINC000499716426 1081105859 /nfs/dbraw/zinc/10/58/59/1081105859.db2.gz YERZDRUATHHEGT-DNVCBOLYSA-N 1 2 420.535 0.914 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@H](C)O)cc1 ZINC000499716427 1081105716 /nfs/dbraw/zinc/10/57/16/1081105716.db2.gz YERZDRUATHHEGT-HNAYVOBHSA-N 1 2 420.535 0.914 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@H](C)O)cc1 ZINC000499716428 1081105741 /nfs/dbraw/zinc/10/57/41/1081105741.db2.gz YERZDRUATHHEGT-KXBFYZLASA-N 1 2 420.535 0.914 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000499718266 1081108263 /nfs/dbraw/zinc/10/82/63/1081108263.db2.gz KITDUADONBUOLA-UHFFFAOYSA-N 1 2 418.465 0.976 20 0 HCADLO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000499725833 1081117071 /nfs/dbraw/zinc/11/70/71/1081117071.db2.gz WLOBZLNUHIXBDM-AUUYWEPGSA-N 1 2 402.495 0.481 20 0 HCADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000499725840 1081117147 /nfs/dbraw/zinc/11/71/47/1081117147.db2.gz WLOBZLNUHIXBDM-IFXJQAMLSA-N 1 2 402.495 0.481 20 0 HCADLO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000499725841 1081117605 /nfs/dbraw/zinc/11/76/05/1081117605.db2.gz WLOBZLNUHIXBDM-KUHUBIRLSA-N 1 2 402.495 0.481 20 0 HCADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000499725842 1081117311 /nfs/dbraw/zinc/11/73/11/1081117311.db2.gz WLOBZLNUHIXBDM-LIRRHRJNSA-N 1 2 402.495 0.481 20 0 HCADLO CCn1c(N)c(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000499739603 1081147430 /nfs/dbraw/zinc/14/74/30/1081147430.db2.gz BFINPPLJEQOVQM-JTQLQIEISA-N 1 2 409.468 0.074 20 0 HCADLO CCn1c(N)c(C(=O)C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000499739603 1081147423 /nfs/dbraw/zinc/14/74/23/1081147423.db2.gz BFINPPLJEQOVQM-JTQLQIEISA-N 1 2 409.468 0.074 20 0 HCADLO CCn1c(N)c(C(=O)C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000499739604 1081147488 /nfs/dbraw/zinc/14/74/88/1081147488.db2.gz BFINPPLJEQOVQM-SNVBAGLBSA-N 1 2 409.468 0.074 20 0 HCADLO CCn1c(N)c(C(=O)C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]c1=O ZINC000499739604 1081147481 /nfs/dbraw/zinc/14/74/81/1081147481.db2.gz BFINPPLJEQOVQM-SNVBAGLBSA-N 1 2 409.468 0.074 20 0 HCADLO Cc1cc(I)cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000499746469 1081157351 /nfs/dbraw/zinc/15/73/51/1081157351.db2.gz CMWOELJTMQUCLU-UHFFFAOYSA-N 1 2 417.247 0.675 20 0 HCADLO Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1=O ZINC000499752123 1081163772 /nfs/dbraw/zinc/16/37/72/1081163772.db2.gz RXVBXSKIVBJYAG-UHFFFAOYSA-N 1 2 416.453 0.419 20 0 HCADLO COC(=O)CCN1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC000499754712 1081167172 /nfs/dbraw/zinc/16/71/72/1081167172.db2.gz FTJXFARDIUZOQM-HNNXBMFYSA-N 1 2 403.414 0.975 20 0 HCADLO COC(=O)CCN1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC000499754713 1081167422 /nfs/dbraw/zinc/16/74/22/1081167422.db2.gz FTJXFARDIUZOQM-OAHLLOKOSA-N 1 2 403.414 0.975 20 0 HCADLO Cc1csc(-c2cccc(S(=O)(=O)N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)c2)n1 ZINC000499763005 1081178113 /nfs/dbraw/zinc/17/81/13/1081178113.db2.gz OOLRJHREZPBBQF-HNNXBMFYSA-N 1 2 424.548 0.925 20 0 HCADLO Cc1csc(-c2cccc(S(=O)(=O)N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)c2)n1 ZINC000499763005 1081178087 /nfs/dbraw/zinc/17/80/87/1081178087.db2.gz OOLRJHREZPBBQF-HNNXBMFYSA-N 1 2 424.548 0.925 20 0 HCADLO Cc1csc(-c2cccc(S(=O)(=O)N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)c2)n1 ZINC000499763006 1081178504 /nfs/dbraw/zinc/17/85/04/1081178504.db2.gz OOLRJHREZPBBQF-OAHLLOKOSA-N 1 2 424.548 0.925 20 0 HCADLO Cc1csc(-c2cccc(S(=O)(=O)N3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)c2)n1 ZINC000499763006 1081178499 /nfs/dbraw/zinc/17/84/99/1081178499.db2.gz OOLRJHREZPBBQF-OAHLLOKOSA-N 1 2 424.548 0.925 20 0 HCADLO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000499773564 1081203801 /nfs/dbraw/zinc/20/38/01/1081203801.db2.gz AFJMLOLUYWMOPI-BEFAXECRSA-N 1 2 405.495 0.289 20 0 HCADLO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000499773566 1081203387 /nfs/dbraw/zinc/20/33/87/1081203387.db2.gz AFJMLOLUYWMOPI-DNVCBOLYSA-N 1 2 405.495 0.289 20 0 HCADLO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000499773568 1081203475 /nfs/dbraw/zinc/20/34/75/1081203475.db2.gz AFJMLOLUYWMOPI-HNAYVOBHSA-N 1 2 405.495 0.289 20 0 HCADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000499773569 1081203709 /nfs/dbraw/zinc/20/37/09/1081203709.db2.gz AFJMLOLUYWMOPI-KXBFYZLASA-N 1 2 405.495 0.289 20 0 HCADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1=O ZINC000499781655 1081219265 /nfs/dbraw/zinc/21/92/65/1081219265.db2.gz BIMIUGTVGAGCNN-DOTOQJQBSA-N 1 2 403.483 0.634 20 0 HCADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1=O ZINC000499781656 1081219170 /nfs/dbraw/zinc/21/91/70/1081219170.db2.gz BIMIUGTVGAGCNN-NVXWUHKLSA-N 1 2 403.483 0.634 20 0 HCADLO COC(=O)CCN1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1=O ZINC000499781657 1081219538 /nfs/dbraw/zinc/21/95/38/1081219538.db2.gz BIMIUGTVGAGCNN-RDJZCZTQSA-N 1 2 403.483 0.634 20 0 HCADLO COC(=O)CCN1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1=O ZINC000499781658 1081219325 /nfs/dbraw/zinc/21/93/25/1081219325.db2.gz BIMIUGTVGAGCNN-WBVHZDCISA-N 1 2 403.483 0.634 20 0 HCADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1=O ZINC000499782783 1081227943 /nfs/dbraw/zinc/22/79/43/1081227943.db2.gz DPDYURAMDHFVLE-GOSISDBHSA-N 1 2 418.494 0.557 20 0 HCADLO COC(=O)CCN1CC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1=O ZINC000499782784 1081228812 /nfs/dbraw/zinc/22/88/12/1081228812.db2.gz DPDYURAMDHFVLE-SFHVURJKSA-N 1 2 418.494 0.557 20 0 HCADLO Cc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1O ZINC000499796616 1081240692 /nfs/dbraw/zinc/24/06/92/1081240692.db2.gz GXIULJCYDCYKRL-UHFFFAOYSA-N 1 2 404.492 0.977 20 0 HCADLO CC[C@H](C)N(CC(=O)OC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000499797033 1081239883 /nfs/dbraw/zinc/23/98/83/1081239883.db2.gz ZUVVGMBWAPJPBP-AWEZNQCLSA-N 1 2 403.487 0.285 20 0 HCADLO CC[C@@H](C)N(CC(=O)OC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000499797037 1081240032 /nfs/dbraw/zinc/24/00/32/1081240032.db2.gz ZUVVGMBWAPJPBP-CQSZACIVSA-N 1 2 403.487 0.285 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2cc[nH]c2n1 ZINC000499800664 1081242859 /nfs/dbraw/zinc/24/28/59/1081242859.db2.gz NNFFCCXISHTMRT-UHFFFAOYSA-N 1 2 414.491 0.840 20 0 HCADLO Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1O ZINC000499802194 1081243107 /nfs/dbraw/zinc/24/31/07/1081243107.db2.gz PWJMDSUTDQYBMS-UHFFFAOYSA-N 1 2 404.492 0.977 20 0 HCADLO Cc1cc[nH]c(=O)c1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499804675 1081247079 /nfs/dbraw/zinc/24/70/79/1081247079.db2.gz UMJYHUKOBZCAMM-UHFFFAOYSA-N 1 2 405.480 0.372 20 0 HCADLO COC(=O)CCN1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000499812708 1081252383 /nfs/dbraw/zinc/25/23/83/1081252383.db2.gz QLPCLDUYFUXMJD-GOSISDBHSA-N 1 2 418.494 0.482 20 0 HCADLO COC(=O)CCN1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000499812709 1081252621 /nfs/dbraw/zinc/25/26/21/1081252621.db2.gz QLPCLDUYFUXMJD-SFHVURJKSA-N 1 2 418.494 0.482 20 0 HCADLO O=C(Nc1ccc2nccnc2c1Br)C(=O)N1CC[NH+](CCO)CC1 ZINC000499835182 1081272952 /nfs/dbraw/zinc/27/29/52/1081272952.db2.gz CDUVZYPAMJLBPV-UHFFFAOYSA-N 1 2 408.256 0.467 20 0 HCADLO CCN1CCO[C@H](C(=O)NCC2CCC(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000499859692 1081282324 /nfs/dbraw/zinc/28/23/24/1081282324.db2.gz GALAYRVEWKUUCM-KHSMEXAKSA-N 1 2 424.586 0.467 20 0 HCADLO CCN1CCO[C@H](C(=O)NCC2CCC(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000499859692 1081282319 /nfs/dbraw/zinc/28/23/19/1081282319.db2.gz GALAYRVEWKUUCM-KHSMEXAKSA-N 1 2 424.586 0.467 20 0 HCADLO CCN1CCO[C@@H](C(=O)NCC2CCC(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000499859692 1081282312 /nfs/dbraw/zinc/28/23/12/1081282312.db2.gz GALAYRVEWKUUCM-KHSMEXAKSA-N 1 2 424.586 0.467 20 0 HCADLO CCN1CCO[C@@H](C(=O)NCC2CCC(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000499859692 1081282305 /nfs/dbraw/zinc/28/23/05/1081282305.db2.gz GALAYRVEWKUUCM-KHSMEXAKSA-N 1 2 424.586 0.467 20 0 HCADLO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)[nH+]cn1 ZINC000499865355 1081286601 /nfs/dbraw/zinc/28/66/01/1081286601.db2.gz VDULYECDXKLNIW-HRCADAONSA-N 1 2 418.498 0.010 20 0 HCADLO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)nc[nH+]1 ZINC000499865355 1081286597 /nfs/dbraw/zinc/28/65/97/1081286597.db2.gz VDULYECDXKLNIW-HRCADAONSA-N 1 2 418.498 0.010 20 0 HCADLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)[nH+]cn1 ZINC000499865356 1081286509 /nfs/dbraw/zinc/28/65/09/1081286509.db2.gz VDULYECDXKLNIW-OWCLPIDISA-N 1 2 418.498 0.010 20 0 HCADLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)nc[nH+]1 ZINC000499865356 1081286498 /nfs/dbraw/zinc/28/64/98/1081286498.db2.gz VDULYECDXKLNIW-OWCLPIDISA-N 1 2 418.498 0.010 20 0 HCADLO CC[N@@H+](CC(=O)N1CCN(CCS(N)(=O)=O)CC1)Cc1ccccc1Cl ZINC000499882203 1081291039 /nfs/dbraw/zinc/29/10/39/1081291039.db2.gz ZBNSTUYMPKUETR-UHFFFAOYSA-N 1 2 402.948 0.595 20 0 HCADLO CC[N@H+](CC(=O)N1CCN(CCS(N)(=O)=O)CC1)Cc1ccccc1Cl ZINC000499882203 1081291037 /nfs/dbraw/zinc/29/10/37/1081291037.db2.gz ZBNSTUYMPKUETR-UHFFFAOYSA-N 1 2 402.948 0.595 20 0 HCADLO NC(=O)c1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000499891032 1081294789 /nfs/dbraw/zinc/29/47/89/1081294789.db2.gz VKCHVVSOMBLTTA-UHFFFAOYSA-N 1 2 412.454 0.161 20 0 HCADLO NC(=O)c1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000499891032 1081294772 /nfs/dbraw/zinc/29/47/72/1081294772.db2.gz VKCHVVSOMBLTTA-UHFFFAOYSA-N 1 2 412.454 0.161 20 0 HCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499919849 1081305960 /nfs/dbraw/zinc/30/59/60/1081305960.db2.gz GSUVLNAGDSZINU-BZUAXINKSA-N 1 2 400.479 0.184 20 0 HCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499919849 1081305951 /nfs/dbraw/zinc/30/59/51/1081305951.db2.gz GSUVLNAGDSZINU-BZUAXINKSA-N 1 2 400.479 0.184 20 0 HCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499919851 1081305812 /nfs/dbraw/zinc/30/58/12/1081305812.db2.gz GSUVLNAGDSZINU-OAGGEKHMSA-N 1 2 400.479 0.184 20 0 HCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499919851 1081305804 /nfs/dbraw/zinc/30/58/04/1081305804.db2.gz GSUVLNAGDSZINU-OAGGEKHMSA-N 1 2 400.479 0.184 20 0 HCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499919853 1081305866 /nfs/dbraw/zinc/30/58/66/1081305866.db2.gz GSUVLNAGDSZINU-OWCLPIDISA-N 1 2 400.479 0.184 20 0 HCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499919853 1081305857 /nfs/dbraw/zinc/30/58/57/1081305857.db2.gz GSUVLNAGDSZINU-OWCLPIDISA-N 1 2 400.479 0.184 20 0 HCADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499919855 1081305718 /nfs/dbraw/zinc/30/57/18/1081305718.db2.gz GSUVLNAGDSZINU-PMPSAXMXSA-N 1 2 400.479 0.184 20 0 HCADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499919855 1081305713 /nfs/dbraw/zinc/30/57/13/1081305713.db2.gz GSUVLNAGDSZINU-PMPSAXMXSA-N 1 2 400.479 0.184 20 0 HCADLO C[C@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000499925535 1081304979 /nfs/dbraw/zinc/30/49/79/1081304979.db2.gz DUDQLTVOPMLVFV-DLBZAZTESA-N 1 2 416.526 0.514 20 0 HCADLO C[C@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000499925535 1081304975 /nfs/dbraw/zinc/30/49/75/1081304975.db2.gz DUDQLTVOPMLVFV-DLBZAZTESA-N 1 2 416.526 0.514 20 0 HCADLO C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000499925536 1081304911 /nfs/dbraw/zinc/30/49/11/1081304911.db2.gz DUDQLTVOPMLVFV-IAGOWNOFSA-N 1 2 416.526 0.514 20 0 HCADLO C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000499925536 1081304907 /nfs/dbraw/zinc/30/49/07/1081304907.db2.gz DUDQLTVOPMLVFV-IAGOWNOFSA-N 1 2 416.526 0.514 20 0 HCADLO C[C@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000499925537 1081305216 /nfs/dbraw/zinc/30/52/16/1081305216.db2.gz DUDQLTVOPMLVFV-IRXDYDNUSA-N 1 2 416.526 0.514 20 0 HCADLO C[C@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000499925537 1081305211 /nfs/dbraw/zinc/30/52/11/1081305211.db2.gz DUDQLTVOPMLVFV-IRXDYDNUSA-N 1 2 416.526 0.514 20 0 HCADLO C[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000499925538 1081305359 /nfs/dbraw/zinc/30/53/59/1081305359.db2.gz DUDQLTVOPMLVFV-SJORKVTESA-N 1 2 416.526 0.514 20 0 HCADLO C[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000499925538 1081305353 /nfs/dbraw/zinc/30/53/53/1081305353.db2.gz DUDQLTVOPMLVFV-SJORKVTESA-N 1 2 416.526 0.514 20 0 HCADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000499929873 1081309923 /nfs/dbraw/zinc/30/99/23/1081309923.db2.gz LLDAWDCGEUBKTF-CYBMUJFWSA-N 1 2 413.496 0.216 20 0 HCADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000499929873 1081309919 /nfs/dbraw/zinc/30/99/19/1081309919.db2.gz LLDAWDCGEUBKTF-CYBMUJFWSA-N 1 2 413.496 0.216 20 0 HCADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000499929874 1081309880 /nfs/dbraw/zinc/30/98/80/1081309880.db2.gz LLDAWDCGEUBKTF-ZDUSSCGKSA-N 1 2 413.496 0.216 20 0 HCADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000499929874 1081309875 /nfs/dbraw/zinc/30/98/75/1081309875.db2.gz LLDAWDCGEUBKTF-ZDUSSCGKSA-N 1 2 413.496 0.216 20 0 HCADLO O=C(NCc1cccnc1N1CCOCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000499931050 1081307850 /nfs/dbraw/zinc/30/78/50/1081307850.db2.gz WJOCOTLOUFWXAE-FQEVSTJZSA-N 1 2 421.567 0.925 20 0 HCADLO O=C(NCc1cccnc1N1CCOCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000499931051 1081307887 /nfs/dbraw/zinc/30/78/87/1081307887.db2.gz WJOCOTLOUFWXAE-HXUWFJFHSA-N 1 2 421.567 0.925 20 0 HCADLO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)CC1 ZINC000499936815 1081313529 /nfs/dbraw/zinc/31/35/29/1081313529.db2.gz DVNSVFFFBAASJC-HNNXBMFYSA-N 1 2 400.882 0.335 20 0 HCADLO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)CC1 ZINC000499936816 1081313570 /nfs/dbraw/zinc/31/35/70/1081313570.db2.gz DVNSVFFFBAASJC-OAHLLOKOSA-N 1 2 400.882 0.335 20 0 HCADLO C[C@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000499948772 1081324213 /nfs/dbraw/zinc/32/42/13/1081324213.db2.gz GVIGDJHWMPXUQR-DLBZAZTESA-N 1 2 416.526 0.514 20 0 HCADLO C[C@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000499948772 1081324205 /nfs/dbraw/zinc/32/42/05/1081324205.db2.gz GVIGDJHWMPXUQR-DLBZAZTESA-N 1 2 416.526 0.514 20 0 HCADLO C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000499948773 1081324155 /nfs/dbraw/zinc/32/41/55/1081324155.db2.gz GVIGDJHWMPXUQR-IAGOWNOFSA-N 1 2 416.526 0.514 20 0 HCADLO C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000499948773 1081324146 /nfs/dbraw/zinc/32/41/46/1081324146.db2.gz GVIGDJHWMPXUQR-IAGOWNOFSA-N 1 2 416.526 0.514 20 0 HCADLO C[C@H]1CC[C@H](CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000499948774 1081324120 /nfs/dbraw/zinc/32/41/20/1081324120.db2.gz GVIGDJHWMPXUQR-IRXDYDNUSA-N 1 2 416.526 0.514 20 0 HCADLO C[C@H]1CC[C@H](CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000499948774 1081324114 /nfs/dbraw/zinc/32/41/14/1081324114.db2.gz GVIGDJHWMPXUQR-IRXDYDNUSA-N 1 2 416.526 0.514 20 0 HCADLO C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000499948775 1081324224 /nfs/dbraw/zinc/32/42/24/1081324224.db2.gz GVIGDJHWMPXUQR-SJORKVTESA-N 1 2 416.526 0.514 20 0 HCADLO C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000499948775 1081324222 /nfs/dbraw/zinc/32/42/22/1081324222.db2.gz GVIGDJHWMPXUQR-SJORKVTESA-N 1 2 416.526 0.514 20 0 HCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000499953738 1081324635 /nfs/dbraw/zinc/32/46/35/1081324635.db2.gz CGDWJXWIUDSZAA-KBPBESRZSA-N 1 2 402.542 0.531 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000499953739 1081324463 /nfs/dbraw/zinc/32/44/63/1081324463.db2.gz CGDWJXWIUDSZAA-KGLIPLIRSA-N 1 2 402.542 0.531 20 0 HCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000499953740 1081325075 /nfs/dbraw/zinc/32/50/75/1081325075.db2.gz CGDWJXWIUDSZAA-UONOGXRCSA-N 1 2 402.542 0.531 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000499953741 1081325005 /nfs/dbraw/zinc/32/50/05/1081325005.db2.gz CGDWJXWIUDSZAA-ZIAGYGMSSA-N 1 2 402.542 0.531 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)[C@H](C)O)cc1 ZINC000499958207 1081332906 /nfs/dbraw/zinc/33/29/06/1081332906.db2.gz RANALMYWVVQNAU-DOTOQJQBSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@H](C)O)cc1 ZINC000499958207 1081332904 /nfs/dbraw/zinc/33/29/04/1081332904.db2.gz RANALMYWVVQNAU-DOTOQJQBSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)[C@@H](C)O)cc1 ZINC000499958808 1081330407 /nfs/dbraw/zinc/33/04/07/1081330407.db2.gz RANALMYWVVQNAU-NVXWUHKLSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@@H](C)O)cc1 ZINC000499958808 1081330403 /nfs/dbraw/zinc/33/04/03/1081330403.db2.gz RANALMYWVVQNAU-NVXWUHKLSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)[C@H](C)O)cc1 ZINC000499958809 1081330556 /nfs/dbraw/zinc/33/05/56/1081330556.db2.gz RANALMYWVVQNAU-RDJZCZTQSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@H](C)O)cc1 ZINC000499958809 1081330552 /nfs/dbraw/zinc/33/05/52/1081330552.db2.gz RANALMYWVVQNAU-RDJZCZTQSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)[C@@H](C)O)cc1 ZINC000499958810 1081330516 /nfs/dbraw/zinc/33/05/16/1081330516.db2.gz RANALMYWVVQNAU-WBVHZDCISA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@@H](C)O)cc1 ZINC000499958810 1081330509 /nfs/dbraw/zinc/33/05/09/1081330509.db2.gz RANALMYWVVQNAU-WBVHZDCISA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@H](C)O)cc1 ZINC000499958904 1081330129 /nfs/dbraw/zinc/33/01/29/1081330129.db2.gz SJWMIFYXYSCMNX-DOTOQJQBSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@H](C)O)cc1 ZINC000499958904 1081330120 /nfs/dbraw/zinc/33/01/20/1081330120.db2.gz SJWMIFYXYSCMNX-DOTOQJQBSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@@H](C)O)cc1 ZINC000499958905 1081329874 /nfs/dbraw/zinc/32/98/74/1081329874.db2.gz SJWMIFYXYSCMNX-NVXWUHKLSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)O)cc1 ZINC000499958905 1081329865 /nfs/dbraw/zinc/32/98/65/1081329865.db2.gz SJWMIFYXYSCMNX-NVXWUHKLSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@H](C)O)cc1 ZINC000499958906 1081329985 /nfs/dbraw/zinc/32/99/85/1081329985.db2.gz SJWMIFYXYSCMNX-RDJZCZTQSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@H](C)O)cc1 ZINC000499958906 1081329976 /nfs/dbraw/zinc/32/99/76/1081329976.db2.gz SJWMIFYXYSCMNX-RDJZCZTQSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@@H](C)O)cc1 ZINC000499958907 1081330174 /nfs/dbraw/zinc/33/01/74/1081330174.db2.gz SJWMIFYXYSCMNX-WBVHZDCISA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)O)cc1 ZINC000499958907 1081330169 /nfs/dbraw/zinc/33/01/69/1081330169.db2.gz SJWMIFYXYSCMNX-WBVHZDCISA-N 1 2 413.540 0.250 20 0 HCADLO COCCN(C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000499967550 1081335525 /nfs/dbraw/zinc/33/55/25/1081335525.db2.gz VNHTXDABXNJHRO-DOMZBBRYSA-N 1 2 422.906 0.764 20 0 HCADLO COCCN(C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000499967551 1081335370 /nfs/dbraw/zinc/33/53/70/1081335370.db2.gz VNHTXDABXNJHRO-IUODEOHRSA-N 1 2 422.906 0.764 20 0 HCADLO COCCN(C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000499967552 1081335405 /nfs/dbraw/zinc/33/54/05/1081335405.db2.gz VNHTXDABXNJHRO-SWLSCSKDSA-N 1 2 422.906 0.764 20 0 HCADLO COCCN(C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000499967553 1081335562 /nfs/dbraw/zinc/33/55/62/1081335562.db2.gz VNHTXDABXNJHRO-WFASDCNBSA-N 1 2 422.906 0.764 20 0 HCADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000503284261 1074790406 /nfs/dbraw/zinc/79/04/06/1074790406.db2.gz QAIXXTLPWHVQMW-CVEARBPZSA-N 1 2 424.567 0.653 20 0 HCADLO O=C(CCNS(=O)(=O)c1cn2c(n1)CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000503431518 1074800493 /nfs/dbraw/zinc/80/04/93/1074800493.db2.gz ILFAWFGOAKXXTJ-UHFFFAOYSA-N 1 2 418.523 0.632 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCCS(=O)(=O)CC1 ZINC000504085939 1075319151 /nfs/dbraw/zinc/31/91/51/1075319151.db2.gz HXSNUOPYELVEBG-UHFFFAOYSA-N 1 2 411.524 0.728 20 0 HCADLO COc1ccccc1[C@@H]1CN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC[NH2+]1 ZINC000505508153 1075529030 /nfs/dbraw/zinc/52/90/30/1075529030.db2.gz UTDAKQZNCRYTEK-INIZCTEOSA-N 1 2 423.473 0.736 20 0 HCADLO COc1ccccc1[C@H]1CN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC[NH2+]1 ZINC000505508154 1075529042 /nfs/dbraw/zinc/52/90/42/1075529042.db2.gz UTDAKQZNCRYTEK-MRXNPFEDSA-N 1 2 423.473 0.736 20 0 HCADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000505534317 1075531374 /nfs/dbraw/zinc/53/13/74/1075531374.db2.gz VVEWXDJXBVYZIG-HNNXBMFYSA-N 1 2 421.523 0.612 20 0 HCADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000505534318 1075531510 /nfs/dbraw/zinc/53/15/10/1075531510.db2.gz VVEWXDJXBVYZIG-OAHLLOKOSA-N 1 2 421.523 0.612 20 0 HCADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000505614400 1075543295 /nfs/dbraw/zinc/54/32/95/1075543295.db2.gz XSHIILIVJLYPPO-CYBMUJFWSA-N 1 2 410.496 0.368 20 0 HCADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000505614400 1075543293 /nfs/dbraw/zinc/54/32/93/1075543293.db2.gz XSHIILIVJLYPPO-CYBMUJFWSA-N 1 2 410.496 0.368 20 0 HCADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000505614404 1075543349 /nfs/dbraw/zinc/54/33/49/1075543349.db2.gz XSHIILIVJLYPPO-ZDUSSCGKSA-N 1 2 410.496 0.368 20 0 HCADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000505614404 1075543343 /nfs/dbraw/zinc/54/33/43/1075543343.db2.gz XSHIILIVJLYPPO-ZDUSSCGKSA-N 1 2 410.496 0.368 20 0 HCADLO CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000506045739 1075586506 /nfs/dbraw/zinc/58/65/06/1075586506.db2.gz KFIBPDHUJMAHAY-DNVCBOLYSA-N 1 2 403.483 0.179 20 0 HCADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506051958 1075586785 /nfs/dbraw/zinc/58/67/85/1075586785.db2.gz PCJGTVZTRDQVHZ-HNNXBMFYSA-N 1 2 400.483 0.941 20 0 HCADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506051958 1075586780 /nfs/dbraw/zinc/58/67/80/1075586780.db2.gz PCJGTVZTRDQVHZ-HNNXBMFYSA-N 1 2 400.483 0.941 20 0 HCADLO CC[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@@H]1[NH+]1CCOCC1 ZINC000506196427 1075612104 /nfs/dbraw/zinc/61/21/04/1075612104.db2.gz YOQXWFOBRUQWAV-WMZOPIPTSA-N 1 2 405.495 0.243 20 0 HCADLO Cn1cc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(=O)n(C)c1=O ZINC000506269205 1075628795 /nfs/dbraw/zinc/62/87/95/1075628795.db2.gz PMFCILJMXQWMRW-UHFFFAOYSA-N 1 2 400.523 0.945 20 0 HCADLO COC(=O)C1(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCS(=O)(=O)CC1 ZINC000506304730 1075632818 /nfs/dbraw/zinc/63/28/18/1075632818.db2.gz KCAXQAIDNGLRQL-UHFFFAOYSA-N 1 2 423.535 0.435 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000506434125 1075659989 /nfs/dbraw/zinc/65/99/89/1075659989.db2.gz QOSYPXCUSSAWEP-UHFFFAOYSA-N 1 2 422.532 0.769 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000506434125 1075659987 /nfs/dbraw/zinc/65/99/87/1075659987.db2.gz QOSYPXCUSSAWEP-UHFFFAOYSA-N 1 2 422.532 0.769 20 0 HCADLO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000506525878 1075672524 /nfs/dbraw/zinc/67/25/24/1075672524.db2.gz SDKIKTDGBOGHRG-SFHVURJKSA-N 1 2 406.527 0.770 20 0 HCADLO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000506525878 1075672522 /nfs/dbraw/zinc/67/25/22/1075672522.db2.gz SDKIKTDGBOGHRG-SFHVURJKSA-N 1 2 406.527 0.770 20 0 HCADLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000506568464 1075678099 /nfs/dbraw/zinc/67/80/99/1075678099.db2.gz OMLGYMBBGOBVCF-UHFFFAOYSA-N 1 2 404.559 0.695 20 0 HCADLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000506568464 1075678097 /nfs/dbraw/zinc/67/80/97/1075678097.db2.gz OMLGYMBBGOBVCF-UHFFFAOYSA-N 1 2 404.559 0.695 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)ccc2[nH+]1 ZINC000506719089 1075701842 /nfs/dbraw/zinc/70/18/42/1075701842.db2.gz OTJFOIHNMPKHNJ-AWEZNQCLSA-N 1 2 407.496 0.711 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)N3CCC[C@H](CN(C)S(C)(=O)=O)C3)ccc2[nH+]1 ZINC000506719090 1075701867 /nfs/dbraw/zinc/70/18/67/1075701867.db2.gz OTJFOIHNMPKHNJ-CQSZACIVSA-N 1 2 407.496 0.711 20 0 HCADLO CCC[N@@H+](Cc1cc(OC)c(OCC(N)=O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000506790063 1075712793 /nfs/dbraw/zinc/71/27/93/1075712793.db2.gz YHDYRBMMUXMXHN-AWEZNQCLSA-N 1 2 400.497 0.967 20 0 HCADLO CCC[N@H+](Cc1cc(OC)c(OCC(N)=O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000506790063 1075712785 /nfs/dbraw/zinc/71/27/85/1075712785.db2.gz YHDYRBMMUXMXHN-AWEZNQCLSA-N 1 2 400.497 0.967 20 0 HCADLO CCC[N@@H+](Cc1cc(OC)c(OCC(N)=O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000506790064 1075712840 /nfs/dbraw/zinc/71/28/40/1075712840.db2.gz YHDYRBMMUXMXHN-CQSZACIVSA-N 1 2 400.497 0.967 20 0 HCADLO CCC[N@H+](Cc1cc(OC)c(OCC(N)=O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000506790064 1075712826 /nfs/dbraw/zinc/71/28/26/1075712826.db2.gz YHDYRBMMUXMXHN-CQSZACIVSA-N 1 2 400.497 0.967 20 0 HCADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1cnn(C)c1 ZINC000507358159 1075780721 /nfs/dbraw/zinc/78/07/21/1075780721.db2.gz LNJMEWAYWPWIMA-UHFFFAOYSA-N 1 2 423.514 0.914 20 0 HCADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1cnn(C)c1 ZINC000507358159 1075780713 /nfs/dbraw/zinc/78/07/13/1075780713.db2.gz LNJMEWAYWPWIMA-UHFFFAOYSA-N 1 2 423.514 0.914 20 0 HCADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NCC(=O)NCC(F)(F)F)CCC(=O)N1C1CC1 ZINC000507716091 1075812546 /nfs/dbraw/zinc/81/25/46/1075812546.db2.gz GTEAVOZTQNYBML-IAQYHMDHSA-N 1 2 401.389 0.657 20 0 HCADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000507718770 1075813070 /nfs/dbraw/zinc/81/30/70/1075813070.db2.gz PZGCTZAJQYXOML-QZTJIDSGSA-N 1 2 411.499 0.912 20 0 HCADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000507718770 1075813069 /nfs/dbraw/zinc/81/30/69/1075813069.db2.gz PZGCTZAJQYXOML-QZTJIDSGSA-N 1 2 411.499 0.912 20 0 HCADLO Cc1nc([C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CCO2)no1 ZINC000507991398 1075839852 /nfs/dbraw/zinc/83/98/52/1075839852.db2.gz GNPGGWDYNNQWOI-OAHLLOKOSA-N 1 2 402.459 0.073 20 0 HCADLO CC(C)c1nnc2n1C[C@H](NC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000507994004 1075840016 /nfs/dbraw/zinc/84/00/16/1075840016.db2.gz RUYQXTIPOCUKNR-MRXNPFEDSA-N 1 2 413.530 0.628 20 0 HCADLO Cc1cnn(C)c1S(=O)(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000508187543 1075850287 /nfs/dbraw/zinc/85/02/87/1075850287.db2.gz OWTFXXONUBHNPR-UHFFFAOYSA-N 1 2 401.514 0.369 20 0 HCADLO COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508830766 1074604006 /nfs/dbraw/zinc/60/40/06/1074604006.db2.gz USWBSCNVSQDTLB-HKUYNNGSSA-N 1 2 417.506 0.757 20 0 HCADLO COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508830767 1074603857 /nfs/dbraw/zinc/60/38/57/1074603857.db2.gz USWBSCNVSQDTLB-PKOBYXMFSA-N 1 2 417.506 0.757 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000508837105 1074698333 /nfs/dbraw/zinc/69/83/33/1074698333.db2.gz IRTFOTQGOLILKH-GOSISDBHSA-N 1 2 401.511 0.281 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000508837105 1074698331 /nfs/dbraw/zinc/69/83/31/1074698331.db2.gz IRTFOTQGOLILKH-GOSISDBHSA-N 1 2 401.511 0.281 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000508837106 1074698303 /nfs/dbraw/zinc/69/83/03/1074698303.db2.gz IRTFOTQGOLILKH-SFHVURJKSA-N 1 2 401.511 0.281 20 0 HCADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000508837106 1074698296 /nfs/dbraw/zinc/69/82/96/1074698296.db2.gz IRTFOTQGOLILKH-SFHVURJKSA-N 1 2 401.511 0.281 20 0 HCADLO O=S(=O)(CCNS(=O)(=O)c1ccsc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000508837496 1074700261 /nfs/dbraw/zinc/70/02/61/1074700261.db2.gz APQOXOQJGBODJS-UHFFFAOYSA-N 1 2 416.550 0.573 20 0 HCADLO COCCN1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1=O ZINC000508838350 1074704742 /nfs/dbraw/zinc/70/47/42/1074704742.db2.gz VUNHECNEKHMQBE-UHFFFAOYSA-N 1 2 420.510 0.398 20 0 HCADLO O=S(=O)(CCNS(=O)(=O)c1ccoc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000508839255 1074718075 /nfs/dbraw/zinc/71/80/75/1074718075.db2.gz SKBIZXJBJKBLTQ-UHFFFAOYSA-N 1 2 400.482 0.105 20 0 HCADLO CCOC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000508855909 1075409445 /nfs/dbraw/zinc/40/94/45/1075409445.db2.gz KNKGHFJACMXHLH-UHFFFAOYSA-N 1 2 413.496 0.361 20 0 HCADLO CC(C)NC(=O)CN1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000508858188 1075421213 /nfs/dbraw/zinc/42/12/13/1075421213.db2.gz UYTFPBIVCMFKNX-UHFFFAOYSA-N 1 2 417.554 0.600 20 0 HCADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000508874400 1075707405 /nfs/dbraw/zinc/70/74/05/1075707405.db2.gz NUODXQQWGGRZBS-GOSISDBHSA-N 1 2 415.538 0.726 20 0 HCADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000508874400 1075707394 /nfs/dbraw/zinc/70/73/94/1075707394.db2.gz NUODXQQWGGRZBS-GOSISDBHSA-N 1 2 415.538 0.726 20 0 HCADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000508874403 1075707489 /nfs/dbraw/zinc/70/74/89/1075707489.db2.gz NUODXQQWGGRZBS-SFHVURJKSA-N 1 2 415.538 0.726 20 0 HCADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000508874403 1075707482 /nfs/dbraw/zinc/70/74/82/1075707482.db2.gz NUODXQQWGGRZBS-SFHVURJKSA-N 1 2 415.538 0.726 20 0 HCADLO O=C(c1cccn2c(=O)[nH]nc12)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000508919126 1081280013 /nfs/dbraw/zinc/28/00/13/1081280013.db2.gz FXDXRSRUYNINNI-UHFFFAOYSA-N 1 2 410.438 0.024 20 0 HCADLO O=C(c1cccn2c(=O)[nH]nc12)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000508919126 1081280002 /nfs/dbraw/zinc/28/00/02/1081280002.db2.gz FXDXRSRUYNINNI-UHFFFAOYSA-N 1 2 410.438 0.024 20 0 HCADLO COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000508931091 1081291732 /nfs/dbraw/zinc/29/17/32/1081291732.db2.gz FTBNIAXORXOJSX-UHFFFAOYSA-N 1 2 404.492 0.969 20 0 HCADLO COCCNC(=O)c1cccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000508933788 1081291331 /nfs/dbraw/zinc/29/13/31/1081291331.db2.gz OGUUAAPSHQAVQT-HOTGVXAUSA-N 1 2 413.540 0.840 20 0 HCADLO COCCNC(=O)c1cccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000508933789 1081291443 /nfs/dbraw/zinc/29/14/43/1081291443.db2.gz OGUUAAPSHQAVQT-HZPDHXFCSA-N 1 2 413.540 0.840 20 0 HCADLO COCCNC(=O)c1cccc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508933791 1081291316 /nfs/dbraw/zinc/29/13/16/1081291316.db2.gz OGUUAAPSHQAVQT-IYBDPMFKSA-N 1 2 413.540 0.840 20 0 HCADLO COCCNC(=O)c1cccc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000508933791 1081291312 /nfs/dbraw/zinc/29/13/12/1081291312.db2.gz OGUUAAPSHQAVQT-IYBDPMFKSA-N 1 2 413.540 0.840 20 0 HCADLO CCC[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)C(N)=O ZINC000508940253 1081303938 /nfs/dbraw/zinc/30/39/38/1081303938.db2.gz DHRLBRGQHXQTKO-KRWDZBQOSA-N 1 2 403.483 0.059 20 0 HCADLO CCC[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)C(N)=O ZINC000508950674 1081313167 /nfs/dbraw/zinc/31/31/67/1081313167.db2.gz QVDPXIKGEWZLIF-KRWDZBQOSA-N 1 2 403.483 0.059 20 0 HCADLO CCC[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)C(N)=O ZINC000508952789 1081314312 /nfs/dbraw/zinc/31/43/12/1081314312.db2.gz WELAUKIYBVUYEG-KRWDZBQOSA-N 1 2 403.483 0.059 20 0 HCADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCC1CCS(=O)(=O)CC1 ZINC000508953986 1081317837 /nfs/dbraw/zinc/31/78/37/1081317837.db2.gz WHPDQKUGZPJQAX-UHFFFAOYSA-N 1 2 422.551 0.842 20 0 HCADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(F)cncc1F ZINC000508960230 1081326306 /nfs/dbraw/zinc/32/63/06/1081326306.db2.gz LROQYLHZDYADAT-GFCCVEGCSA-N 1 2 408.409 0.704 20 0 HCADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(F)cncc1F ZINC000508960231 1081326166 /nfs/dbraw/zinc/32/61/66/1081326166.db2.gz LROQYLHZDYADAT-LBPRGKRZSA-N 1 2 408.409 0.704 20 0 HCADLO Cn1cccc1-c1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1C ZINC000508964781 1081332158 /nfs/dbraw/zinc/33/21/58/1081332158.db2.gz DQITZAKPBSFNPM-UHFFFAOYSA-N 1 2 409.498 0.774 20 0 HCADLO Cn1cccc1-c1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1C ZINC000508964781 1081332154 /nfs/dbraw/zinc/33/21/54/1081332154.db2.gz DQITZAKPBSFNPM-UHFFFAOYSA-N 1 2 409.498 0.774 20 0 HCADLO CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1)C(N)=O ZINC000508968292 1081336919 /nfs/dbraw/zinc/33/69/19/1081336919.db2.gz JZLLOYCCIMZNEE-UHFFFAOYSA-N 1 2 414.466 0.200 20 0 HCADLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000508975715 1081338714 /nfs/dbraw/zinc/33/87/14/1081338714.db2.gz FPXQEGBXUBKNJO-INIZCTEOSA-N 1 2 401.554 0.735 20 0 HCADLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000508975715 1081338709 /nfs/dbraw/zinc/33/87/09/1081338709.db2.gz FPXQEGBXUBKNJO-INIZCTEOSA-N 1 2 401.554 0.735 20 0 HCADLO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000508975717 1081338603 /nfs/dbraw/zinc/33/86/03/1081338603.db2.gz FPXQEGBXUBKNJO-MRXNPFEDSA-N 1 2 401.554 0.735 20 0 HCADLO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000508975717 1081338600 /nfs/dbraw/zinc/33/86/00/1081338600.db2.gz FPXQEGBXUBKNJO-MRXNPFEDSA-N 1 2 401.554 0.735 20 0 HCADLO Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC000508982103 1081344789 /nfs/dbraw/zinc/34/47/89/1081344789.db2.gz QCCQEGMATMLRSK-GOSISDBHSA-N 1 2 418.567 0.803 20 0 HCADLO Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC000508982105 1081344741 /nfs/dbraw/zinc/34/47/41/1081344741.db2.gz QCCQEGMATMLRSK-SFHVURJKSA-N 1 2 418.567 0.803 20 0 HCADLO COC(=O)C1(NCCC[NH+]2CCN(c3ccccc3)CC2)CCS(=O)(=O)CC1 ZINC000509007256 1081353799 /nfs/dbraw/zinc/35/37/99/1081353799.db2.gz FSUCVPMLGUZTQJ-UHFFFAOYSA-N 1 2 409.552 0.909 20 0 HCADLO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1c(F)cncc1F ZINC000509016830 1081357719 /nfs/dbraw/zinc/35/77/19/1081357719.db2.gz OVMJKSOZAAXBBR-GFCCVEGCSA-N 1 2 408.409 0.704 20 0 HCADLO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1c(F)cncc1F ZINC000509016833 1081357799 /nfs/dbraw/zinc/35/77/99/1081357799.db2.gz OVMJKSOZAAXBBR-LBPRGKRZSA-N 1 2 408.409 0.704 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000509022084 1081359814 /nfs/dbraw/zinc/35/98/14/1081359814.db2.gz KDRSPVBWACCGHY-KRWDZBQOSA-N 1 2 409.914 0.639 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000509022086 1081359861 /nfs/dbraw/zinc/35/98/61/1081359861.db2.gz KDRSPVBWACCGHY-QGZVFWFLSA-N 1 2 409.914 0.639 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3CCCC(=O)N3)cc2)CC1 ZINC000509028002 1081361048 /nfs/dbraw/zinc/36/10/48/1081361048.db2.gz CJRZQENSAHKQQD-HXUWFJFHSA-N 1 2 416.522 0.557 20 0 HCADLO COc1ccc([C@H](C)CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000509030307 1081362245 /nfs/dbraw/zinc/36/22/45/1081362245.db2.gz HMFJTQJCMUVSMI-AEFFLSMTSA-N 1 2 407.511 0.457 20 0 HCADLO COc1ccc([C@@H](C)CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000509030308 1081362408 /nfs/dbraw/zinc/36/24/08/1081362408.db2.gz HMFJTQJCMUVSMI-FUHWJXTLSA-N 1 2 407.511 0.457 20 0 HCADLO COc1ccc([C@H](C)CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000509030309 1081362271 /nfs/dbraw/zinc/36/22/71/1081362271.db2.gz HMFJTQJCMUVSMI-SJLPKXTDSA-N 1 2 407.511 0.457 20 0 HCADLO COc1ccc([C@@H](C)CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000509030310 1081362294 /nfs/dbraw/zinc/36/22/94/1081362294.db2.gz HMFJTQJCMUVSMI-WMZOPIPTSA-N 1 2 407.511 0.457 20 0 HCADLO CN(C)S(=O)(=O)CCN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000509037012 1081364912 /nfs/dbraw/zinc/36/49/12/1081364912.db2.gz ZOVRLAFBKDJEJM-IBGZPJMESA-N 1 2 408.568 0.687 20 0 HCADLO CN(C)S(=O)(=O)CCN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000509037014 1081364842 /nfs/dbraw/zinc/36/48/42/1081364842.db2.gz ZOVRLAFBKDJEJM-LJQANCHMSA-N 1 2 408.568 0.687 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](OCc2ccncc2)C1 ZINC000509055358 1081371864 /nfs/dbraw/zinc/37/18/64/1081371864.db2.gz STPLXANJWUYFHM-MOPGFXCFSA-N 1 2 402.495 0.380 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](OCc2ccncc2)C1 ZINC000509055359 1081371771 /nfs/dbraw/zinc/37/17/71/1081371771.db2.gz STPLXANJWUYFHM-OALUTQOASA-N 1 2 402.495 0.380 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000509055360 1081371848 /nfs/dbraw/zinc/37/18/48/1081371848.db2.gz STPLXANJWUYFHM-RBUKOAKNSA-N 1 2 402.495 0.380 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000509055361 1081371759 /nfs/dbraw/zinc/37/17/59/1081371759.db2.gz STPLXANJWUYFHM-RTBURBONSA-N 1 2 402.495 0.380 20 0 HCADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509711679 1074688755 /nfs/dbraw/zinc/68/87/55/1074688755.db2.gz IPXCNZMRUVCLAL-GOSISDBHSA-N 1 2 422.489 0.732 20 0 HCADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509711688 1074688866 /nfs/dbraw/zinc/68/88/66/1074688866.db2.gz IPXCNZMRUVCLAL-SFHVURJKSA-N 1 2 422.489 0.732 20 0 HCADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000509719055 1074681507 /nfs/dbraw/zinc/68/15/07/1074681507.db2.gz KFGYDXPTVYULIR-KRWDZBQOSA-N 1 2 409.575 0.872 20 0 HCADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000509719055 1074681499 /nfs/dbraw/zinc/68/14/99/1074681499.db2.gz KFGYDXPTVYULIR-KRWDZBQOSA-N 1 2 409.575 0.872 20 0 HCADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000509719058 1074681576 /nfs/dbraw/zinc/68/15/76/1074681576.db2.gz KFGYDXPTVYULIR-QGZVFWFLSA-N 1 2 409.575 0.872 20 0 HCADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000509719058 1074681572 /nfs/dbraw/zinc/68/15/72/1074681572.db2.gz KFGYDXPTVYULIR-QGZVFWFLSA-N 1 2 409.575 0.872 20 0 HCADLO COc1cnc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nc1 ZINC000513596238 1080402040 /nfs/dbraw/zinc/40/20/40/1080402040.db2.gz YOUHLBLJHRGEGV-AWEZNQCLSA-N 1 2 413.482 0.062 20 0 HCADLO COc1cnc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nc1 ZINC000513596239 1078546509 /nfs/dbraw/zinc/54/65/09/1078546509.db2.gz YOUHLBLJHRGEGV-CQSZACIVSA-N 1 2 413.482 0.062 20 0 HCADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)C2)no1 ZINC000514012480 1080406496 /nfs/dbraw/zinc/40/64/96/1080406496.db2.gz CKABPLZRZPCTJD-GDBMZVCRSA-N 1 2 408.503 0.485 20 0 HCADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)C2)no1 ZINC000514012480 1080406486 /nfs/dbraw/zinc/40/64/86/1080406486.db2.gz CKABPLZRZPCTJD-GDBMZVCRSA-N 1 2 408.503 0.485 20 0 HCADLO Cc1cc(N2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)nc(C(C)C)[nH+]1 ZINC000516606103 1075804964 /nfs/dbraw/zinc/80/49/64/1075804964.db2.gz BERLECCMIWOJII-UHFFFAOYSA-N 1 2 418.523 0.931 20 0 HCADLO Cc1cc(=O)c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)nn1-c1ccccc1F ZINC000521037512 1077392910 /nfs/dbraw/zinc/39/29/10/1077392910.db2.gz PXRNVYAWIUXGNH-UHFFFAOYSA-N 1 2 415.469 0.962 20 0 HCADLO COc1ccc(OCCCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000522920457 1077733107 /nfs/dbraw/zinc/73/31/07/1077733107.db2.gz LHKSSNYTPSPJEJ-KRWDZBQOSA-N 1 2 405.495 0.904 20 0 HCADLO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000525309429 1077970478 /nfs/dbraw/zinc/97/04/78/1077970478.db2.gz ZBVTYHMXYYISBN-UHFFFAOYSA-N 1 2 406.527 0.830 20 0 HCADLO CN1C(=O)CCc2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC000533956543 1074220587 /nfs/dbraw/zinc/22/05/87/1074220587.db2.gz KSUQVSMJMHNAPU-KRWDZBQOSA-N 1 2 400.479 0.259 20 0 HCADLO CN1C(=O)CCc2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC000533956546 1074221017 /nfs/dbraw/zinc/22/10/17/1074221017.db2.gz KSUQVSMJMHNAPU-QGZVFWFLSA-N 1 2 400.479 0.259 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC(O)(COC)CC3)cc2)CC1 ZINC000533956561 1074222297 /nfs/dbraw/zinc/22/22/97/1074222297.db2.gz NNJBJVQHELHOIZ-UHFFFAOYSA-N 1 2 418.538 0.763 20 0 HCADLO CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000533957932 1074246875 /nfs/dbraw/zinc/24/68/75/1074246875.db2.gz JVMFJLRORRDMGU-INIZCTEOSA-N 1 2 423.535 0.315 20 0 HCADLO CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000533957933 1074246916 /nfs/dbraw/zinc/24/69/16/1074246916.db2.gz JVMFJLRORRDMGU-MRXNPFEDSA-N 1 2 423.535 0.315 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000533961931 1074311637 /nfs/dbraw/zinc/31/16/37/1074311637.db2.gz VXNFXFOVFLXGPV-UHFFFAOYSA-N 1 2 423.433 0.422 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000534031805 1074542913 /nfs/dbraw/zinc/54/29/13/1074542913.db2.gz MZOZSFBNOFLBJI-AEFFLSMTSA-N 1 2 423.539 0.400 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000534031807 1074543056 /nfs/dbraw/zinc/54/30/56/1074543056.db2.gz MZOZSFBNOFLBJI-FUHWJXTLSA-N 1 2 423.539 0.400 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000534031808 1074542885 /nfs/dbraw/zinc/54/28/85/1074542885.db2.gz MZOZSFBNOFLBJI-SJLPKXTDSA-N 1 2 423.539 0.400 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCO[C@H]1C1CC1 ZINC000534031809 1074543020 /nfs/dbraw/zinc/54/30/20/1074543020.db2.gz MZOZSFBNOFLBJI-WMZOPIPTSA-N 1 2 423.539 0.400 20 0 HCADLO O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000534031919 1074543098 /nfs/dbraw/zinc/54/30/98/1074543098.db2.gz VVAJZWVMOGHQNB-APWZRJJASA-N 1 2 402.499 0.712 20 0 HCADLO O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000534031919 1074543084 /nfs/dbraw/zinc/54/30/84/1074543084.db2.gz VVAJZWVMOGHQNB-APWZRJJASA-N 1 2 402.499 0.712 20 0 HCADLO O=C(N[C@H]1CCO[C@H]1C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000534031924 1074542901 /nfs/dbraw/zinc/54/29/01/1074542901.db2.gz VVAJZWVMOGHQNB-LPHOPBHVSA-N 1 2 402.499 0.712 20 0 HCADLO O=C(N[C@H]1CCO[C@H]1C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000534031924 1074542895 /nfs/dbraw/zinc/54/28/95/1074542895.db2.gz VVAJZWVMOGHQNB-LPHOPBHVSA-N 1 2 402.499 0.712 20 0 HCADLO O=C(N[C@H]1CCO[C@@H]1C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000534031925 1074542992 /nfs/dbraw/zinc/54/29/92/1074542992.db2.gz VVAJZWVMOGHQNB-QFBILLFUSA-N 1 2 402.499 0.712 20 0 HCADLO O=C(N[C@H]1CCO[C@@H]1C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000534031925 1074542985 /nfs/dbraw/zinc/54/29/85/1074542985.db2.gz VVAJZWVMOGHQNB-QFBILLFUSA-N 1 2 402.499 0.712 20 0 HCADLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000534031926 1074543178 /nfs/dbraw/zinc/54/31/78/1074543178.db2.gz VVAJZWVMOGHQNB-VQIMIIECSA-N 1 2 402.499 0.712 20 0 HCADLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000534031926 1074543162 /nfs/dbraw/zinc/54/31/62/1074543162.db2.gz VVAJZWVMOGHQNB-VQIMIIECSA-N 1 2 402.499 0.712 20 0 HCADLO COC(=O)[C@]1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCSC1 ZINC000534050574 1074544487 /nfs/dbraw/zinc/54/44/87/1074544487.db2.gz QLMMFURGDMOZQW-IBGZPJMESA-N 1 2 406.508 0.675 20 0 HCADLO COC(=O)[C@@]1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCSC1 ZINC000534050575 1074544610 /nfs/dbraw/zinc/54/46/10/1074544610.db2.gz QLMMFURGDMOZQW-LJQANCHMSA-N 1 2 406.508 0.675 20 0 HCADLO Cc1cc(-c2nnc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)o2)c(C)o1 ZINC000534077284 1074548606 /nfs/dbraw/zinc/54/86/06/1074548606.db2.gz MMLJVUXBMAGVIK-UHFFFAOYSA-N 1 2 424.527 0.556 20 0 HCADLO Cc1nc2ccnn2c(C)c1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000534081847 1074546434 /nfs/dbraw/zinc/54/64/34/1074546434.db2.gz OMKUDPHNOBHZHG-UHFFFAOYSA-N 1 2 422.493 0.935 20 0 HCADLO Cc1nc2ccnn2c(C)c1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000534081847 1074546428 /nfs/dbraw/zinc/54/64/28/1074546428.db2.gz OMKUDPHNOBHZHG-UHFFFAOYSA-N 1 2 422.493 0.935 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000534092272 1074550490 /nfs/dbraw/zinc/55/04/90/1074550490.db2.gz ZEZLVTPJZWCRGI-INIZCTEOSA-N 1 2 408.480 0.953 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000534092272 1074550478 /nfs/dbraw/zinc/55/04/78/1074550478.db2.gz ZEZLVTPJZWCRGI-INIZCTEOSA-N 1 2 408.480 0.953 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000534092281 1074550578 /nfs/dbraw/zinc/55/05/78/1074550578.db2.gz ZQLGPUUTNHXEDE-ARFHVFGLSA-N 1 2 420.466 0.592 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000534092281 1074550569 /nfs/dbraw/zinc/55/05/69/1074550569.db2.gz ZQLGPUUTNHXEDE-ARFHVFGLSA-N 1 2 420.466 0.592 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000534092282 1074550442 /nfs/dbraw/zinc/55/04/42/1074550442.db2.gz ZQLGPUUTNHXEDE-HRCADAONSA-N 1 2 420.466 0.592 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000534092282 1074550434 /nfs/dbraw/zinc/55/04/34/1074550434.db2.gz ZQLGPUUTNHXEDE-HRCADAONSA-N 1 2 420.466 0.592 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000534092283 1074550684 /nfs/dbraw/zinc/55/06/84/1074550684.db2.gz ZQLGPUUTNHXEDE-JYJNAYRXSA-N 1 2 420.466 0.592 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000534092283 1074550672 /nfs/dbraw/zinc/55/06/72/1074550672.db2.gz ZQLGPUUTNHXEDE-JYJNAYRXSA-N 1 2 420.466 0.592 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000534092284 1074550640 /nfs/dbraw/zinc/55/06/40/1074550640.db2.gz ZQLGPUUTNHXEDE-XHSDSOJGSA-N 1 2 420.466 0.592 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000534092284 1074550637 /nfs/dbraw/zinc/55/06/37/1074550637.db2.gz ZQLGPUUTNHXEDE-XHSDSOJGSA-N 1 2 420.466 0.592 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000534092502 1074550750 /nfs/dbraw/zinc/55/07/50/1074550750.db2.gz WUZGVPKFFFCXLB-QWHCGFSZSA-N 1 2 412.493 0.525 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000534092502 1074550743 /nfs/dbraw/zinc/55/07/43/1074550743.db2.gz WUZGVPKFFFCXLB-QWHCGFSZSA-N 1 2 412.493 0.525 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000534092503 1074550370 /nfs/dbraw/zinc/55/03/70/1074550370.db2.gz WUZGVPKFFFCXLB-STQMWFEESA-N 1 2 412.493 0.525 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000534092503 1074550357 /nfs/dbraw/zinc/55/03/57/1074550357.db2.gz WUZGVPKFFFCXLB-STQMWFEESA-N 1 2 412.493 0.525 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000534092530 1074550720 /nfs/dbraw/zinc/55/07/20/1074550720.db2.gz ZAMFFZAIPSVTKI-LBPRGKRZSA-N 1 2 407.477 0.613 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000534092530 1074550714 /nfs/dbraw/zinc/55/07/14/1074550714.db2.gz ZAMFFZAIPSVTKI-LBPRGKRZSA-N 1 2 407.477 0.613 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000534092933 1074550065 /nfs/dbraw/zinc/55/00/65/1074550065.db2.gz XRCRQMDMXUVVNQ-HZMBPMFUSA-N 1 2 414.871 0.630 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000534092933 1074550053 /nfs/dbraw/zinc/55/00/53/1074550053.db2.gz XRCRQMDMXUVVNQ-HZMBPMFUSA-N 1 2 414.871 0.630 20 0 HCADLO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)c1 ZINC000534093718 1074551150 /nfs/dbraw/zinc/55/11/50/1074551150.db2.gz BNMWDDFRGFGVFA-INIZCTEOSA-N 1 2 408.480 0.954 20 0 HCADLO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)c1 ZINC000534093718 1074551146 /nfs/dbraw/zinc/55/11/46/1074551146.db2.gz BNMWDDFRGFGVFA-INIZCTEOSA-N 1 2 408.480 0.954 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C ZINC000534095036 1074551191 /nfs/dbraw/zinc/55/11/91/1074551191.db2.gz VMROWAFKOXSBCJ-DLBZAZTESA-N 1 2 413.438 0.398 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C ZINC000534095036 1074551185 /nfs/dbraw/zinc/55/11/85/1074551185.db2.gz VMROWAFKOXSBCJ-DLBZAZTESA-N 1 2 413.438 0.398 20 0 HCADLO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)cc21 ZINC000534096043 1074551778 /nfs/dbraw/zinc/55/17/78/1074551778.db2.gz AGKVNGBBXAOOIK-UHFFFAOYSA-N 1 2 412.475 0.836 20 0 HCADLO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)cc21 ZINC000534096043 1074551769 /nfs/dbraw/zinc/55/17/69/1074551769.db2.gz AGKVNGBBXAOOIK-UHFFFAOYSA-N 1 2 412.475 0.836 20 0 HCADLO NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)cc21 ZINC000534096048 1074551993 /nfs/dbraw/zinc/55/19/93/1074551993.db2.gz AORZFWKLDPHCND-UHFFFAOYSA-N 1 2 414.466 0.171 20 0 HCADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)C1 ZINC000534098900 1074553522 /nfs/dbraw/zinc/55/35/22/1074553522.db2.gz UMGBCIZYYNPXCV-UXLLHSPISA-N 1 2 413.492 0.823 20 0 HCADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)C1 ZINC000534098900 1074553513 /nfs/dbraw/zinc/55/35/13/1074553513.db2.gz UMGBCIZYYNPXCV-UXLLHSPISA-N 1 2 413.492 0.823 20 0 HCADLO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C[C@H]2CCCO2)C1 ZINC000534098901 1074553681 /nfs/dbraw/zinc/55/36/81/1074553681.db2.gz UMGBCIZYYNPXCV-YQQAZPJKSA-N 1 2 413.492 0.823 20 0 HCADLO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C[C@H]2CCCO2)C1 ZINC000534098901 1074553673 /nfs/dbraw/zinc/55/36/73/1074553673.db2.gz UMGBCIZYYNPXCV-YQQAZPJKSA-N 1 2 413.492 0.823 20 0 HCADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C[C@H]2CCCO2)C1 ZINC000534098902 1074553721 /nfs/dbraw/zinc/55/37/21/1074553721.db2.gz UMGBCIZYYNPXCV-ZMSDIMECSA-N 1 2 413.492 0.823 20 0 HCADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C[C@H]2CCCO2)C1 ZINC000534098902 1074553715 /nfs/dbraw/zinc/55/37/15/1074553715.db2.gz UMGBCIZYYNPXCV-ZMSDIMECSA-N 1 2 413.492 0.823 20 0 HCADLO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)C1 ZINC000534098903 1074553617 /nfs/dbraw/zinc/55/36/17/1074553617.db2.gz UMGBCIZYYNPXCV-ZOBUZTSGSA-N 1 2 413.492 0.823 20 0 HCADLO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)C1 ZINC000534098903 1074553609 /nfs/dbraw/zinc/55/36/09/1074553609.db2.gz UMGBCIZYYNPXCV-ZOBUZTSGSA-N 1 2 413.492 0.823 20 0 HCADLO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000534098925 1074553562 /nfs/dbraw/zinc/55/35/62/1074553562.db2.gz PXMXPYBCBZBKQQ-AWEZNQCLSA-N 1 2 407.496 0.856 20 0 HCADLO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000534098926 1074553496 /nfs/dbraw/zinc/55/34/96/1074553496.db2.gz PXMXPYBCBZBKQQ-CQSZACIVSA-N 1 2 407.496 0.856 20 0 HCADLO Cc1cc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)n(-c2nc(C)cc(C)n2)n1 ZINC000534100065 1074554595 /nfs/dbraw/zinc/55/45/95/1074554595.db2.gz RTBKJCCMTBAULY-UHFFFAOYSA-N 1 2 412.454 0.200 20 0 HCADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534100379 1074554932 /nfs/dbraw/zinc/55/49/32/1074554932.db2.gz IJNFCPIDIHRSKL-UHFFFAOYSA-N 1 2 407.858 0.377 20 0 HCADLO CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000534100572 1074554909 /nfs/dbraw/zinc/55/49/09/1074554909.db2.gz LDZLTFOPCUNIEJ-UHFFFAOYSA-N 1 2 401.467 0.781 20 0 HCADLO COCC[N@@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000534101168 1074556022 /nfs/dbraw/zinc/55/60/22/1074556022.db2.gz DOHLBHFGAWGEBJ-HNNXBMFYSA-N 1 2 420.553 0.451 20 0 HCADLO COCC[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000534101168 1074556011 /nfs/dbraw/zinc/55/60/11/1074556011.db2.gz DOHLBHFGAWGEBJ-HNNXBMFYSA-N 1 2 420.553 0.451 20 0 HCADLO COCC[N@@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000534101174 1074556409 /nfs/dbraw/zinc/55/64/09/1074556409.db2.gz DOHLBHFGAWGEBJ-OAHLLOKOSA-N 1 2 420.553 0.451 20 0 HCADLO COCC[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000534101174 1074556407 /nfs/dbraw/zinc/55/64/07/1074556407.db2.gz DOHLBHFGAWGEBJ-OAHLLOKOSA-N 1 2 420.553 0.451 20 0 HCADLO COCC[N@@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000534102477 1074556358 /nfs/dbraw/zinc/55/63/58/1074556358.db2.gz YIBZGAXPDNEHPC-DLBZAZTESA-N 1 2 400.497 0.520 20 0 HCADLO COCC[N@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000534102477 1074556353 /nfs/dbraw/zinc/55/63/53/1074556353.db2.gz YIBZGAXPDNEHPC-DLBZAZTESA-N 1 2 400.497 0.520 20 0 HCADLO COCC[N@@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000534102478 1074556420 /nfs/dbraw/zinc/55/64/20/1074556420.db2.gz YIBZGAXPDNEHPC-IAGOWNOFSA-N 1 2 400.497 0.520 20 0 HCADLO COCC[N@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000534102478 1074556416 /nfs/dbraw/zinc/55/64/16/1074556416.db2.gz YIBZGAXPDNEHPC-IAGOWNOFSA-N 1 2 400.497 0.520 20 0 HCADLO COCC[N@@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000534102479 1074556397 /nfs/dbraw/zinc/55/63/97/1074556397.db2.gz YIBZGAXPDNEHPC-IRXDYDNUSA-N 1 2 400.497 0.520 20 0 HCADLO COCC[N@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000534102479 1074556395 /nfs/dbraw/zinc/55/63/95/1074556395.db2.gz YIBZGAXPDNEHPC-IRXDYDNUSA-N 1 2 400.497 0.520 20 0 HCADLO COCC[N@@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000534102481 1074556967 /nfs/dbraw/zinc/55/69/67/1074556967.db2.gz YIBZGAXPDNEHPC-SJORKVTESA-N 1 2 400.497 0.520 20 0 HCADLO COCC[N@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000534102481 1074556963 /nfs/dbraw/zinc/55/69/63/1074556963.db2.gz YIBZGAXPDNEHPC-SJORKVTESA-N 1 2 400.497 0.520 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000534102992 1074556810 /nfs/dbraw/zinc/55/68/10/1074556810.db2.gz NPCLMFMRANESLZ-DOTOQJQBSA-N 1 2 418.885 0.783 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000534102992 1074556802 /nfs/dbraw/zinc/55/68/02/1074556802.db2.gz NPCLMFMRANESLZ-DOTOQJQBSA-N 1 2 418.885 0.783 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000534102993 1074556946 /nfs/dbraw/zinc/55/69/46/1074556946.db2.gz NPCLMFMRANESLZ-NVXWUHKLSA-N 1 2 418.885 0.783 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000534102993 1074556941 /nfs/dbraw/zinc/55/69/41/1074556941.db2.gz NPCLMFMRANESLZ-NVXWUHKLSA-N 1 2 418.885 0.783 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000534102994 1074556910 /nfs/dbraw/zinc/55/69/10/1074556910.db2.gz NPCLMFMRANESLZ-RDJZCZTQSA-N 1 2 418.885 0.783 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000534102994 1074556903 /nfs/dbraw/zinc/55/69/03/1074556903.db2.gz NPCLMFMRANESLZ-RDJZCZTQSA-N 1 2 418.885 0.783 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000534102995 1074556871 /nfs/dbraw/zinc/55/68/71/1074556871.db2.gz NPCLMFMRANESLZ-WBVHZDCISA-N 1 2 418.885 0.783 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000534102995 1074556867 /nfs/dbraw/zinc/55/68/67/1074556867.db2.gz NPCLMFMRANESLZ-WBVHZDCISA-N 1 2 418.885 0.783 20 0 HCADLO Cn1ccnc1N1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000534110357 1074558113 /nfs/dbraw/zinc/55/81/13/1074558113.db2.gz XVUOMZAQTQYXSW-UHFFFAOYSA-N 1 2 404.559 0.693 20 0 HCADLO COc1cc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc(OC)c1OC ZINC000534117262 1074561211 /nfs/dbraw/zinc/56/12/11/1074561211.db2.gz AUZGWAWJQBLPPI-UHFFFAOYSA-N 1 2 406.439 0.667 20 0 HCADLO C[C@@H](NC(=O)CNC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O)c1ccc(F)cc1 ZINC000534118584 1074562086 /nfs/dbraw/zinc/56/20/86/1074562086.db2.gz SDLHKWGJZWDXSY-CYBMUJFWSA-N 1 2 419.457 0.135 20 0 HCADLO C[C@H](NC(=O)CNC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O)c1ccc(F)cc1 ZINC000534118585 1074561849 /nfs/dbraw/zinc/56/18/49/1074561849.db2.gz SDLHKWGJZWDXSY-ZDUSSCGKSA-N 1 2 419.457 0.135 20 0 HCADLO CN1C(=O)NC2(CC[NH+](CC(=O)Nc3ccnn3Cc3cccs3)CC2)C1=O ZINC000534119336 1074562522 /nfs/dbraw/zinc/56/25/22/1074562522.db2.gz USJJTWVDLMEMAI-UHFFFAOYSA-N 1 2 402.480 0.948 20 0 HCADLO CC[C@@H]1C[N@@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C[C@@H]1O ZINC000534126782 1074571776 /nfs/dbraw/zinc/57/17/76/1074571776.db2.gz ZLGMKOLMKAOTBN-CVEARBPZSA-N 1 2 400.479 0.546 20 0 HCADLO CC[C@@H]1C[N@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C[C@@H]1O ZINC000534126782 1074571766 /nfs/dbraw/zinc/57/17/66/1074571766.db2.gz ZLGMKOLMKAOTBN-CVEARBPZSA-N 1 2 400.479 0.546 20 0 HCADLO CC[C@H]1C[N@@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C[C@@H]1O ZINC000534126783 1074571978 /nfs/dbraw/zinc/57/19/78/1074571978.db2.gz ZLGMKOLMKAOTBN-HOTGVXAUSA-N 1 2 400.479 0.546 20 0 HCADLO CC[C@H]1C[N@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C[C@@H]1O ZINC000534126783 1074571973 /nfs/dbraw/zinc/57/19/73/1074571973.db2.gz ZLGMKOLMKAOTBN-HOTGVXAUSA-N 1 2 400.479 0.546 20 0 HCADLO CC[C@@H]1C[N@@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C[C@H]1O ZINC000534126784 1074571951 /nfs/dbraw/zinc/57/19/51/1074571951.db2.gz ZLGMKOLMKAOTBN-HZPDHXFCSA-N 1 2 400.479 0.546 20 0 HCADLO CC[C@@H]1C[N@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C[C@H]1O ZINC000534126784 1074571946 /nfs/dbraw/zinc/57/19/46/1074571946.db2.gz ZLGMKOLMKAOTBN-HZPDHXFCSA-N 1 2 400.479 0.546 20 0 HCADLO CC[C@H]1C[N@@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C[C@H]1O ZINC000534126785 1074571822 /nfs/dbraw/zinc/57/18/22/1074571822.db2.gz ZLGMKOLMKAOTBN-JKSUJKDBSA-N 1 2 400.479 0.546 20 0 HCADLO CC[C@H]1C[N@H+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C[C@H]1O ZINC000534126785 1074571815 /nfs/dbraw/zinc/57/18/15/1074571815.db2.gz ZLGMKOLMKAOTBN-JKSUJKDBSA-N 1 2 400.479 0.546 20 0 HCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000534126992 1074571048 /nfs/dbraw/zinc/57/10/48/1074571048.db2.gz UXRLSONFXIPXBF-FXAWDEMLSA-N 1 2 415.490 0.608 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000534126992 1074571042 /nfs/dbraw/zinc/57/10/42/1074571042.db2.gz UXRLSONFXIPXBF-FXAWDEMLSA-N 1 2 415.490 0.608 20 0 HCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000534126993 1074571404 /nfs/dbraw/zinc/57/14/04/1074571404.db2.gz UXRLSONFXIPXBF-PXNSSMCTSA-N 1 2 415.490 0.608 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000534126993 1074571397 /nfs/dbraw/zinc/57/13/97/1074571397.db2.gz UXRLSONFXIPXBF-PXNSSMCTSA-N 1 2 415.490 0.608 20 0 HCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000534126994 1074571276 /nfs/dbraw/zinc/57/12/76/1074571276.db2.gz UXRLSONFXIPXBF-XLIONFOSSA-N 1 2 415.490 0.608 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000534126994 1074571264 /nfs/dbraw/zinc/57/12/64/1074571264.db2.gz UXRLSONFXIPXBF-XLIONFOSSA-N 1 2 415.490 0.608 20 0 HCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000534126995 1074571108 /nfs/dbraw/zinc/57/11/08/1074571108.db2.gz UXRLSONFXIPXBF-YLJYHZDGSA-N 1 2 415.490 0.608 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000534126995 1074571102 /nfs/dbraw/zinc/57/11/02/1074571102.db2.gz UXRLSONFXIPXBF-YLJYHZDGSA-N 1 2 415.490 0.608 20 0 HCADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000534128098 1074572374 /nfs/dbraw/zinc/57/23/74/1074572374.db2.gz FIGDWLLOIPUERH-INIZCTEOSA-N 1 2 408.524 0.881 20 0 HCADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000534128098 1074572369 /nfs/dbraw/zinc/57/23/69/1074572369.db2.gz FIGDWLLOIPUERH-INIZCTEOSA-N 1 2 408.524 0.881 20 0 HCADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000534128099 1074572497 /nfs/dbraw/zinc/57/24/97/1074572497.db2.gz FIGDWLLOIPUERH-MRXNPFEDSA-N 1 2 408.524 0.881 20 0 HCADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000534128099 1074572493 /nfs/dbraw/zinc/57/24/93/1074572493.db2.gz FIGDWLLOIPUERH-MRXNPFEDSA-N 1 2 408.524 0.881 20 0 HCADLO CC(C)N(CCCNC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1)S(C)(=O)=O ZINC000534129154 1074572355 /nfs/dbraw/zinc/57/23/55/1074572355.db2.gz XPMJODAGANMJGV-UHFFFAOYSA-N 1 2 403.467 0.552 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000534129249 1074573029 /nfs/dbraw/zinc/57/30/29/1074573029.db2.gz MQDDPEYYJAOAEI-GDBMZVCRSA-N 1 2 408.524 0.961 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000534129249 1074573023 /nfs/dbraw/zinc/57/30/23/1074573023.db2.gz MQDDPEYYJAOAEI-GDBMZVCRSA-N 1 2 408.524 0.961 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000534129252 1074573009 /nfs/dbraw/zinc/57/30/09/1074573009.db2.gz MQDDPEYYJAOAEI-GOEBONIOSA-N 1 2 408.524 0.961 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000534129252 1074573000 /nfs/dbraw/zinc/57/30/00/1074573000.db2.gz MQDDPEYYJAOAEI-GOEBONIOSA-N 1 2 408.524 0.961 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000534129254 1074573122 /nfs/dbraw/zinc/57/31/22/1074573122.db2.gz MQDDPEYYJAOAEI-HOCLYGCPSA-N 1 2 408.524 0.961 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000534129254 1074573119 /nfs/dbraw/zinc/57/31/19/1074573119.db2.gz MQDDPEYYJAOAEI-HOCLYGCPSA-N 1 2 408.524 0.961 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000534129256 1074572831 /nfs/dbraw/zinc/57/28/31/1074572831.db2.gz MQDDPEYYJAOAEI-ZBFHGGJFSA-N 1 2 408.524 0.961 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000534129256 1074572827 /nfs/dbraw/zinc/57/28/27/1074572827.db2.gz MQDDPEYYJAOAEI-ZBFHGGJFSA-N 1 2 408.524 0.961 20 0 HCADLO COCCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000534132193 1074573970 /nfs/dbraw/zinc/57/39/70/1074573970.db2.gz XPGZHQLLKZMNCL-WOJBJXKFSA-N 1 2 424.586 0.374 20 0 HCADLO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000534132599 1074574245 /nfs/dbraw/zinc/57/42/45/1074574245.db2.gz LQOULJALVVCBJK-UHFFFAOYSA-N 1 2 417.488 0.442 20 0 HCADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000534140616 1074568865 /nfs/dbraw/zinc/56/88/65/1074568865.db2.gz AIJHEWMPANYSAP-UHFFFAOYSA-N 1 2 405.524 0.532 20 0 HCADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000534140676 1074569035 /nfs/dbraw/zinc/56/90/35/1074569035.db2.gz BPJGPGVGZBOPOB-UHFFFAOYSA-N 1 2 422.551 0.539 20 0 HCADLO NS(=O)(=O)C1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000534141278 1074570226 /nfs/dbraw/zinc/57/02/26/1074570226.db2.gz RTWOJJMDEDBFMN-UHFFFAOYSA-N 1 2 412.468 0.249 20 0 HCADLO NS(=O)(=O)C1CC[NH+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000534141586 1074569498 /nfs/dbraw/zinc/56/94/98/1074569498.db2.gz DKYJNQTZJQRDJS-UHFFFAOYSA-N 1 2 409.430 0.997 20 0 HCADLO NS(=O)(=O)C1CC[NH+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000534141869 1074568817 /nfs/dbraw/zinc/56/88/17/1074568817.db2.gz KVQOIGHITVCIBJ-UHFFFAOYSA-N 1 2 409.430 0.953 20 0 HCADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000534141883 1074569006 /nfs/dbraw/zinc/56/90/06/1074569006.db2.gz ZTFCGKWGTUOCIA-UHFFFAOYSA-N 1 2 409.552 0.852 20 0 HCADLO COc1cc(OC)c(CNC(=O)C[NH+]2CCC(CS(N)(=O)=O)CC2)c(OC)c1 ZINC000534142146 1074570010 /nfs/dbraw/zinc/57/00/10/1074570010.db2.gz ZYHJQZUVGNWEBU-UHFFFAOYSA-N 1 2 415.512 0.329 20 0 HCADLO Cn1nc2c(c1NC(=O)C(=O)NCC[NH+]1CCN(c3ccc(F)cc3)CC1)CCC2 ZINC000534152909 1074575284 /nfs/dbraw/zinc/57/52/84/1074575284.db2.gz UIOXYMDPZZHGQS-UHFFFAOYSA-N 1 2 414.485 0.925 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000534156640 1074575528 /nfs/dbraw/zinc/57/55/28/1074575528.db2.gz FGFLRZOQYXUBST-DOTOQJQBSA-N 1 2 408.474 0.656 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000534156641 1074575727 /nfs/dbraw/zinc/57/57/27/1074575727.db2.gz FGFLRZOQYXUBST-NVXWUHKLSA-N 1 2 408.474 0.656 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000534156642 1074575691 /nfs/dbraw/zinc/57/56/91/1074575691.db2.gz FGFLRZOQYXUBST-RDJZCZTQSA-N 1 2 408.474 0.656 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000534156643 1074575431 /nfs/dbraw/zinc/57/54/31/1074575431.db2.gz FGFLRZOQYXUBST-WBVHZDCISA-N 1 2 408.474 0.656 20 0 HCADLO CCCCn1c(N)c(N(CC)C(=O)CSCC[NH+]2CCOCC2)c(=O)[nH]c1=O ZINC000534197672 1074586204 /nfs/dbraw/zinc/58/62/04/1074586204.db2.gz JCAXMEARRDADSA-UHFFFAOYSA-N 1 2 413.544 0.750 20 0 HCADLO C[C@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000534198521 1074583353 /nfs/dbraw/zinc/58/33/53/1074583353.db2.gz VCXFBWFCQSWLQC-KBPBESRZSA-N 1 2 401.554 0.965 20 0 HCADLO C[C@@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000534198523 1074583264 /nfs/dbraw/zinc/58/32/64/1074583264.db2.gz VCXFBWFCQSWLQC-KGLIPLIRSA-N 1 2 401.554 0.965 20 0 HCADLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000534198525 1074583397 /nfs/dbraw/zinc/58/33/97/1074583397.db2.gz VCXFBWFCQSWLQC-UONOGXRCSA-N 1 2 401.554 0.965 20 0 HCADLO C[C@@H](NC(=O)[C@@H](C)SCC[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000534198526 1074583324 /nfs/dbraw/zinc/58/33/24/1074583324.db2.gz VCXFBWFCQSWLQC-ZIAGYGMSSA-N 1 2 401.554 0.965 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000534201891 1074583776 /nfs/dbraw/zinc/58/37/76/1074583776.db2.gz LWBZSISRAFYWJX-HNNXBMFYSA-N 1 2 403.508 0.874 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000534201892 1074583683 /nfs/dbraw/zinc/58/36/83/1074583683.db2.gz LWBZSISRAFYWJX-OAHLLOKOSA-N 1 2 403.508 0.874 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)CC1 ZINC000534203107 1074583912 /nfs/dbraw/zinc/58/39/12/1074583912.db2.gz UQWFXDBKTKJAQK-UHFFFAOYSA-N 1 2 404.515 0.250 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)CC1 ZINC000534203107 1074583906 /nfs/dbraw/zinc/58/39/06/1074583906.db2.gz UQWFXDBKTKJAQK-UHFFFAOYSA-N 1 2 404.515 0.250 20 0 HCADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000534205293 1074584215 /nfs/dbraw/zinc/58/42/15/1074584215.db2.gz LKAQSOFHNDBUHR-HNNXBMFYSA-N 1 2 403.508 0.874 20 0 HCADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000534205295 1074584389 /nfs/dbraw/zinc/58/43/89/1074584389.db2.gz LKAQSOFHNDBUHR-OAHLLOKOSA-N 1 2 403.508 0.874 20 0 HCADLO Cn1c2[nH]c(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)nc2c(=O)n(C)c1=O ZINC000534216256 1074587974 /nfs/dbraw/zinc/58/79/74/1074587974.db2.gz KJZHNHSAIAXLRG-CYBMUJFWSA-N 1 2 412.498 0.658 20 0 HCADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)nc2c(=O)n(C)c1=O ZINC000534216256 1074587969 /nfs/dbraw/zinc/58/79/69/1074587969.db2.gz KJZHNHSAIAXLRG-CYBMUJFWSA-N 1 2 412.498 0.658 20 0 HCADLO Cn1c2[nH]c(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)nc2c(=O)n(C)c1=O ZINC000534216257 1074588131 /nfs/dbraw/zinc/58/81/31/1074588131.db2.gz KJZHNHSAIAXLRG-ZDUSSCGKSA-N 1 2 412.498 0.658 20 0 HCADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)nc2c(=O)n(C)c1=O ZINC000534216257 1074588120 /nfs/dbraw/zinc/58/81/20/1074588120.db2.gz KJZHNHSAIAXLRG-ZDUSSCGKSA-N 1 2 412.498 0.658 20 0 HCADLO CC(C)(CNC(=O)CN1CCN(Cc2nc3ccccc3[nH]2)CC1)[NH+]1CCOCC1 ZINC000534216754 1074588000 /nfs/dbraw/zinc/58/80/00/1074588000.db2.gz DLDWUTMBKYINGF-UHFFFAOYSA-N 1 2 414.554 0.908 20 0 HCADLO Cc1cc(N2CCN(Cc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)nc(C(C)C)[nH+]1 ZINC000534217590 1074588337 /nfs/dbraw/zinc/58/83/37/1074588337.db2.gz HGNCYQNSRPYLEM-UHFFFAOYSA-N 1 2 412.498 0.504 20 0 HCADLO Cn1c2[nH]c(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)nc2c(=O)n(C)c1=O ZINC000534219244 1074588788 /nfs/dbraw/zinc/58/87/88/1074588788.db2.gz WEERPIDJNFXGNE-UHFFFAOYSA-N 1 2 402.886 0.932 20 0 HCADLO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000534230005 1074586915 /nfs/dbraw/zinc/58/69/15/1074586915.db2.gz WKBAPZBTAZPDAX-INIZCTEOSA-N 1 2 423.539 0.220 20 0 HCADLO NC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000534230005 1074586910 /nfs/dbraw/zinc/58/69/10/1074586910.db2.gz WKBAPZBTAZPDAX-INIZCTEOSA-N 1 2 423.539 0.220 20 0 HCADLO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000534230006 1074586794 /nfs/dbraw/zinc/58/67/94/1074586794.db2.gz WKBAPZBTAZPDAX-MRXNPFEDSA-N 1 2 423.539 0.220 20 0 HCADLO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000534230006 1074586789 /nfs/dbraw/zinc/58/67/89/1074586789.db2.gz WKBAPZBTAZPDAX-MRXNPFEDSA-N 1 2 423.539 0.220 20 0 HCADLO CCCCN(C(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000534230665 1074586605 /nfs/dbraw/zinc/58/66/05/1074586605.db2.gz IRTPMEFICAHRNN-CYBMUJFWSA-N 1 2 423.518 0.063 20 0 HCADLO CCCCN(C(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000534230665 1074586594 /nfs/dbraw/zinc/58/65/94/1074586594.db2.gz IRTPMEFICAHRNN-CYBMUJFWSA-N 1 2 423.518 0.063 20 0 HCADLO CCCCN(C(=O)C[N@H+]1CC[C@H](NC(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000534230666 1074586664 /nfs/dbraw/zinc/58/66/64/1074586664.db2.gz IRTPMEFICAHRNN-ZDUSSCGKSA-N 1 2 423.518 0.063 20 0 HCADLO CCCCN(C(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000534230666 1074586653 /nfs/dbraw/zinc/58/66/53/1074586653.db2.gz IRTPMEFICAHRNN-ZDUSSCGKSA-N 1 2 423.518 0.063 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534230974 1074586519 /nfs/dbraw/zinc/58/65/19/1074586519.db2.gz SKTOEBWWSSCIDF-GDBMZVCRSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534230974 1074586511 /nfs/dbraw/zinc/58/65/11/1074586511.db2.gz SKTOEBWWSSCIDF-GDBMZVCRSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534230985 1074586763 /nfs/dbraw/zinc/58/67/63/1074586763.db2.gz SKTOEBWWSSCIDF-GOEBONIOSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534230985 1074586756 /nfs/dbraw/zinc/58/67/56/1074586756.db2.gz SKTOEBWWSSCIDF-GOEBONIOSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000534230991 1074586826 /nfs/dbraw/zinc/58/68/26/1074586826.db2.gz SKTOEBWWSSCIDF-HOCLYGCPSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000534230991 1074586820 /nfs/dbraw/zinc/58/68/20/1074586820.db2.gz SKTOEBWWSSCIDF-HOCLYGCPSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000534230994 1074586694 /nfs/dbraw/zinc/58/66/94/1074586694.db2.gz SKTOEBWWSSCIDF-ZBFHGGJFSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000534230994 1074586683 /nfs/dbraw/zinc/58/66/83/1074586683.db2.gz SKTOEBWWSSCIDF-ZBFHGGJFSA-N 1 2 423.539 0.931 20 0 HCADLO CCOC(=O)C(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000534238442 1074589586 /nfs/dbraw/zinc/58/95/86/1074589586.db2.gz NMSRSTNPLHZZRO-UHFFFAOYSA-N 1 2 412.512 0.239 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2n[nH]c(=O)n2c1 ZINC000534253626 1074592067 /nfs/dbraw/zinc/59/20/67/1074592067.db2.gz IAZQMCBBHHIEHL-HNNXBMFYSA-N 1 2 424.465 0.460 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc2n[nH]c(=O)n2c1 ZINC000534253626 1074592055 /nfs/dbraw/zinc/59/20/55/1074592055.db2.gz IAZQMCBBHHIEHL-HNNXBMFYSA-N 1 2 424.465 0.460 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2n[nH]c(=O)n2c1 ZINC000534253629 1074592021 /nfs/dbraw/zinc/59/20/21/1074592021.db2.gz IAZQMCBBHHIEHL-OAHLLOKOSA-N 1 2 424.465 0.460 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc2n[nH]c(=O)n2c1 ZINC000534253629 1074592014 /nfs/dbraw/zinc/59/20/14/1074592014.db2.gz IAZQMCBBHHIEHL-OAHLLOKOSA-N 1 2 424.465 0.460 20 0 HCADLO NC(=O)c1cnn2c1nccc2C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000534262000 1074593202 /nfs/dbraw/zinc/59/32/02/1074593202.db2.gz HELWQXUHGRGAKB-UHFFFAOYSA-N 1 2 421.461 0.661 20 0 HCADLO Nc1nc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[nH+]c2ccccc12 ZINC000534272906 1074595959 /nfs/dbraw/zinc/59/59/59/1074595959.db2.gz JBXMBENGZDJPMO-UHFFFAOYSA-N 1 2 413.507 0.593 20 0 HCADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000534281589 1074594717 /nfs/dbraw/zinc/59/47/17/1074594717.db2.gz OVDCJJITLCBMTO-HNNXBMFYSA-N 1 2 404.492 0.946 20 0 HCADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000534281590 1074594726 /nfs/dbraw/zinc/59/47/26/1074594726.db2.gz OVDCJJITLCBMTO-OAHLLOKOSA-N 1 2 404.492 0.946 20 0 HCADLO Cc1cc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)nc3)CC2)nc(C(C)C)[nH+]1 ZINC000534290206 1074595634 /nfs/dbraw/zinc/59/56/34/1074595634.db2.gz DKUJGFNDDBSVLG-UHFFFAOYSA-N 1 2 404.496 0.913 20 0 HCADLO Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c[nH+]1 ZINC000534324438 1074598535 /nfs/dbraw/zinc/59/85/35/1074598535.db2.gz XZUPFWFLKKHULW-HOTGVXAUSA-N 1 2 411.528 0.624 20 0 HCADLO Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c[nH+]1 ZINC000534324439 1074598421 /nfs/dbraw/zinc/59/84/21/1074598421.db2.gz XZUPFWFLKKHULW-HZPDHXFCSA-N 1 2 411.528 0.624 20 0 HCADLO Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c[nH+]1 ZINC000534324440 1074598454 /nfs/dbraw/zinc/59/84/54/1074598454.db2.gz XZUPFWFLKKHULW-IYBDPMFKSA-N 1 2 411.528 0.624 20 0 HCADLO COc1nc2ccccc2cc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000534342061 1074599359 /nfs/dbraw/zinc/59/93/59/1074599359.db2.gz BOGBNPLYOYTAFL-UHFFFAOYSA-N 1 2 419.551 0.853 20 0 HCADLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534350653 1074599827 /nfs/dbraw/zinc/59/98/27/1074599827.db2.gz QDXDJFWNBMWODV-INIZCTEOSA-N 1 2 402.474 0.771 20 0 HCADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534350653 1074599820 /nfs/dbraw/zinc/59/98/20/1074599820.db2.gz QDXDJFWNBMWODV-INIZCTEOSA-N 1 2 402.474 0.771 20 0 HCADLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534350654 1074599878 /nfs/dbraw/zinc/59/98/78/1074599878.db2.gz QDXDJFWNBMWODV-MRXNPFEDSA-N 1 2 402.474 0.771 20 0 HCADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534350654 1074599872 /nfs/dbraw/zinc/59/98/72/1074599872.db2.gz QDXDJFWNBMWODV-MRXNPFEDSA-N 1 2 402.474 0.771 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H]2C1 ZINC000534381946 1074610094 /nfs/dbraw/zinc/61/00/94/1074610094.db2.gz KKOZIMYRHLQJOF-BRWVUGGUSA-N 1 2 405.561 0.431 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H]2C1 ZINC000534381946 1074610089 /nfs/dbraw/zinc/61/00/89/1074610089.db2.gz KKOZIMYRHLQJOF-BRWVUGGUSA-N 1 2 405.561 0.431 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H]2C1 ZINC000534381951 1074610154 /nfs/dbraw/zinc/61/01/54/1074610154.db2.gz KKOZIMYRHLQJOF-IKGGRYGDSA-N 1 2 405.561 0.431 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H]2C1 ZINC000534381951 1074610150 /nfs/dbraw/zinc/61/01/50/1074610150.db2.gz KKOZIMYRHLQJOF-IKGGRYGDSA-N 1 2 405.561 0.431 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H]2C1 ZINC000534381952 1074610058 /nfs/dbraw/zinc/61/00/58/1074610058.db2.gz KKOZIMYRHLQJOF-IXDOHACOSA-N 1 2 405.561 0.431 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H]2C1 ZINC000534381952 1074610052 /nfs/dbraw/zinc/61/00/52/1074610052.db2.gz KKOZIMYRHLQJOF-IXDOHACOSA-N 1 2 405.561 0.431 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H]2C1 ZINC000534381954 1074610276 /nfs/dbraw/zinc/61/02/76/1074610276.db2.gz KKOZIMYRHLQJOF-ZACQAIPSSA-N 1 2 405.561 0.431 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H]2C1 ZINC000534381954 1074610270 /nfs/dbraw/zinc/61/02/70/1074610270.db2.gz KKOZIMYRHLQJOF-ZACQAIPSSA-N 1 2 405.561 0.431 20 0 HCADLO CC(=O)N1CC[C@H](CN(C)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000534383490 1074610880 /nfs/dbraw/zinc/61/08/80/1074610880.db2.gz IXQFKEXFSQDEQH-GOSISDBHSA-N 1 2 416.526 0.630 20 0 HCADLO CC(=O)N1CC[C@@H](CN(C)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000534383497 1074610865 /nfs/dbraw/zinc/61/08/65/1074610865.db2.gz IXQFKEXFSQDEQH-SFHVURJKSA-N 1 2 416.526 0.630 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)co1 ZINC000534388970 1074606299 /nfs/dbraw/zinc/60/62/99/1074606299.db2.gz RUKFROIHSDGWDS-UHFFFAOYSA-N 1 2 423.491 0.829 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)co1 ZINC000534394917 1074607690 /nfs/dbraw/zinc/60/76/90/1074607690.db2.gz MLLKYBDRYBXORW-AWEZNQCLSA-N 1 2 407.496 0.523 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)co1 ZINC000534394918 1074607730 /nfs/dbraw/zinc/60/77/30/1074607730.db2.gz MLLKYBDRYBXORW-CQSZACIVSA-N 1 2 407.496 0.523 20 0 HCADLO O=c1c(Br)cn(Cc2ccccc2)c(=O)n1C[C@@H](O)C[NH+]1CCOCC1 ZINC000534398096 1074608528 /nfs/dbraw/zinc/60/85/28/1074608528.db2.gz WHXSZSUHDGHJMS-HNNXBMFYSA-N 1 2 424.295 0.514 20 0 HCADLO O=c1c(Br)cn(Cc2ccccc2)c(=O)n1C[C@H](O)C[NH+]1CCOCC1 ZINC000534398097 1074608562 /nfs/dbraw/zinc/60/85/62/1074608562.db2.gz WHXSZSUHDGHJMS-OAHLLOKOSA-N 1 2 424.295 0.514 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)co1 ZINC000534402999 1074613758 /nfs/dbraw/zinc/61/37/58/1074613758.db2.gz PTOQBKUWRNDXOV-UHFFFAOYSA-N 1 2 406.508 0.865 20 0 HCADLO C[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000534403289 1074613071 /nfs/dbraw/zinc/61/30/71/1074613071.db2.gz OLLVJKUSUZOBRR-INIZCTEOSA-N 1 2 410.540 0.712 20 0 HCADLO C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000534403295 1074613024 /nfs/dbraw/zinc/61/30/24/1074613024.db2.gz OLLVJKUSUZOBRR-MRXNPFEDSA-N 1 2 410.540 0.712 20 0 HCADLO CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000534403635 1074613440 /nfs/dbraw/zinc/61/34/40/1074613440.db2.gz DPGYASUWFNOLIG-NRFANRHFSA-N 1 2 413.518 0.997 20 0 HCADLO CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000534403636 1074613526 /nfs/dbraw/zinc/61/35/26/1074613526.db2.gz DPGYASUWFNOLIG-OAQYLSRUSA-N 1 2 413.518 0.997 20 0 HCADLO Cc1cnn(Cc2cc(C(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)no2)c1 ZINC000534414170 1074611218 /nfs/dbraw/zinc/61/12/18/1074611218.db2.gz GWXNLBOBUTWKBU-UHFFFAOYSA-N 1 2 407.438 0.867 20 0 HCADLO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)co1 ZINC000534419866 1074622408 /nfs/dbraw/zinc/62/24/08/1074622408.db2.gz YDOKTOMDRJFRJN-UHFFFAOYSA-N 1 2 412.512 0.300 20 0 HCADLO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)co1 ZINC000534419866 1074622404 /nfs/dbraw/zinc/62/24/04/1074622404.db2.gz YDOKTOMDRJFRJN-UHFFFAOYSA-N 1 2 412.512 0.300 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2coc(S(=O)(=O)NC)c2)CC1 ZINC000534420742 1074622384 /nfs/dbraw/zinc/62/23/84/1074622384.db2.gz HMPRBASUHPUSPZ-UHFFFAOYSA-N 1 2 400.501 0.204 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2coc(S(=O)(=O)NC)c2)CC1 ZINC000534420742 1074622379 /nfs/dbraw/zinc/62/23/79/1074622379.db2.gz HMPRBASUHPUSPZ-UHFFFAOYSA-N 1 2 400.501 0.204 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)co1 ZINC000534421258 1074622506 /nfs/dbraw/zinc/62/25/06/1074622506.db2.gz WKZUZKUQWMEYTC-UHFFFAOYSA-N 1 2 422.507 0.947 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2)CC1 ZINC000534433579 1074618542 /nfs/dbraw/zinc/61/85/42/1074618542.db2.gz NYYISMVPOZWCIH-INIZCTEOSA-N 1 2 413.478 0.966 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2)CC1 ZINC000534433580 1074618634 /nfs/dbraw/zinc/61/86/34/1074618634.db2.gz NYYISMVPOZWCIH-MRXNPFEDSA-N 1 2 413.478 0.966 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000534448131 1074625187 /nfs/dbraw/zinc/62/51/87/1074625187.db2.gz FSJPXHZRCSVSBQ-INIZCTEOSA-N 1 2 412.498 0.448 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000534448132 1074625239 /nfs/dbraw/zinc/62/52/39/1074625239.db2.gz FSJPXHZRCSVSBQ-MRXNPFEDSA-N 1 2 412.498 0.448 20 0 HCADLO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2ccnn2)cc1 ZINC000534467134 1074627905 /nfs/dbraw/zinc/62/79/05/1074627905.db2.gz ZWWKKPFJWXAQRK-AEFFLSMTSA-N 1 2 412.494 0.625 20 0 HCADLO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2ccnn2)cc1 ZINC000534467136 1074627878 /nfs/dbraw/zinc/62/78/78/1074627878.db2.gz ZWWKKPFJWXAQRK-FUHWJXTLSA-N 1 2 412.494 0.625 20 0 HCADLO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2ccnn2)cc1 ZINC000534467137 1074627945 /nfs/dbraw/zinc/62/79/45/1074627945.db2.gz ZWWKKPFJWXAQRK-SJLPKXTDSA-N 1 2 412.494 0.625 20 0 HCADLO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2ccnn2)cc1 ZINC000534467138 1074627864 /nfs/dbraw/zinc/62/78/64/1074627864.db2.gz ZWWKKPFJWXAQRK-WMZOPIPTSA-N 1 2 412.494 0.625 20 0 HCADLO COCCNC(=O)[C@H](CC(C)C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000534482195 1074629953 /nfs/dbraw/zinc/62/99/53/1074629953.db2.gz CSWQGSCKCNCTBH-LPHOPBHVSA-N 1 2 416.588 0.671 20 0 HCADLO COCCNC(=O)[C@H](CC(C)C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000534482196 1074629929 /nfs/dbraw/zinc/62/99/29/1074629929.db2.gz CSWQGSCKCNCTBH-QFBILLFUSA-N 1 2 416.588 0.671 20 0 HCADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1CCS(=O)(=O)CC1 ZINC000534491601 1074631256 /nfs/dbraw/zinc/63/12/56/1074631256.db2.gz IYYYQHYBOLZFKP-UHFFFAOYSA-N 1 2 423.539 0.244 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000534492539 1074631728 /nfs/dbraw/zinc/63/17/28/1074631728.db2.gz DTSUFPHNOOXTCR-HNNXBMFYSA-N 1 2 419.507 0.416 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000534492540 1074631719 /nfs/dbraw/zinc/63/17/19/1074631719.db2.gz DTSUFPHNOOXTCR-OAHLLOKOSA-N 1 2 419.507 0.416 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC000534495002 1074632751 /nfs/dbraw/zinc/63/27/51/1074632751.db2.gz SDZJAVAXHDQXBI-CYBMUJFWSA-N 1 2 411.466 0.740 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC000534495004 1074632695 /nfs/dbraw/zinc/63/26/95/1074632695.db2.gz SDZJAVAXHDQXBI-ZDUSSCGKSA-N 1 2 411.466 0.740 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cncc(N3CCOCC3)c2)CC1 ZINC000534495995 1074632787 /nfs/dbraw/zinc/63/27/87/1074632787.db2.gz FUXMFFIUNNANEE-UHFFFAOYSA-N 1 2 408.466 0.557 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000534501557 1074633825 /nfs/dbraw/zinc/63/38/25/1074633825.db2.gz KMNUCJKRMMJKES-CYBMUJFWSA-N 1 2 417.491 0.815 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000534501558 1074633732 /nfs/dbraw/zinc/63/37/32/1074633732.db2.gz KMNUCJKRMMJKES-ZDUSSCGKSA-N 1 2 417.491 0.815 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000534501649 1074634438 /nfs/dbraw/zinc/63/44/38/1074634438.db2.gz APVCNVZFJIIURG-JTQLQIEISA-N 1 2 408.256 0.836 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000534501652 1074634277 /nfs/dbraw/zinc/63/42/77/1074634277.db2.gz APVCNVZFJIIURG-SNVBAGLBSA-N 1 2 408.256 0.836 20 0 HCADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000534502749 1074634778 /nfs/dbraw/zinc/63/47/78/1074634778.db2.gz NREFXZCEGXSBAP-CYBMUJFWSA-N 1 2 402.455 0.869 20 0 HCADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000534502750 1074634795 /nfs/dbraw/zinc/63/47/95/1074634795.db2.gz NREFXZCEGXSBAP-ZDUSSCGKSA-N 1 2 402.455 0.869 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000534504192 1074635353 /nfs/dbraw/zinc/63/53/53/1074635353.db2.gz KMVFKMNMYMBEFX-INIZCTEOSA-N 1 2 411.462 0.847 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000534504193 1074635316 /nfs/dbraw/zinc/63/53/16/1074635316.db2.gz KMVFKMNMYMBEFX-MRXNPFEDSA-N 1 2 411.462 0.847 20 0 HCADLO COc1cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)ccc1S(=O)(=O)N(C)C ZINC000534514567 1074637434 /nfs/dbraw/zinc/63/74/34/1074637434.db2.gz GOGLYIUXRNVWTP-UHFFFAOYSA-N 1 2 423.495 0.677 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534522919 1074638446 /nfs/dbraw/zinc/63/84/46/1074638446.db2.gz FDINDHXRMVBKNR-UHFFFAOYSA-N 1 2 418.610 0.954 20 0 HCADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1C ZINC000534523191 1074638532 /nfs/dbraw/zinc/63/85/32/1074638532.db2.gz GXKMWPMNXXBFBL-UHFFFAOYSA-N 1 2 411.553 0.803 20 0 HCADLO O=C(CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1ccco1 ZINC000534523310 1074638369 /nfs/dbraw/zinc/63/83/69/1074638369.db2.gz LLQRBRVGCYQLOM-UHFFFAOYSA-N 1 2 414.466 0.329 20 0 HCADLO CS(=O)(=O)Nc1cccc(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000534524112 1074639011 /nfs/dbraw/zinc/63/90/11/1074639011.db2.gz GFQWZXYBTAFYEG-UHFFFAOYSA-N 1 2 418.523 0.329 20 0 HCADLO NC(=O)CCOc1ccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000534525144 1074644877 /nfs/dbraw/zinc/64/48/77/1074644877.db2.gz TYSMLDOUOJZSMA-UHFFFAOYSA-N 1 2 413.482 0.675 20 0 HCADLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534525237 1074644939 /nfs/dbraw/zinc/64/49/39/1074644939.db2.gz WCUXDKNGFLIHEL-UHFFFAOYSA-N 1 2 424.509 0.562 20 0 HCADLO CCCCNC(=O)C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000534525412 1074644705 /nfs/dbraw/zinc/64/47/05/1074644705.db2.gz XKHMRHRCFOFRTL-UHFFFAOYSA-N 1 2 417.558 0.937 20 0 HCADLO O=C(CNC(=O)N1CCc2ccccc2C1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534525516 1074645278 /nfs/dbraw/zinc/64/52/78/1074645278.db2.gz YXEPOZCTYLCRPC-UHFFFAOYSA-N 1 2 423.521 0.483 20 0 HCADLO O=C(CCC(=O)Nc1nnc(C2CC2)o1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534525527 1074645204 /nfs/dbraw/zinc/64/52/04/1074645204.db2.gz ZSGBAJDGLZTYBQ-UHFFFAOYSA-N 1 2 414.470 0.394 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000534525928 1074645878 /nfs/dbraw/zinc/64/58/78/1074645878.db2.gz MQLGGUVDCNJEPI-MSOLQXFVSA-N 1 2 417.558 0.981 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000534525930 1074645919 /nfs/dbraw/zinc/64/59/19/1074645919.db2.gz MQLGGUVDCNJEPI-QZTJIDSGSA-N 1 2 417.558 0.981 20 0 HCADLO CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000534525931 1074645827 /nfs/dbraw/zinc/64/58/27/1074645827.db2.gz MQLGGUVDCNJEPI-ROUUACIJSA-N 1 2 417.558 0.981 20 0 HCADLO CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000534525932 1074645749 /nfs/dbraw/zinc/64/57/49/1074645749.db2.gz MQLGGUVDCNJEPI-ZWKOTPCHSA-N 1 2 417.558 0.981 20 0 HCADLO COc1ccccc1[C@H](CO)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534526142 1074645246 /nfs/dbraw/zinc/64/52/46/1074645246.db2.gz QYUKKHNGYYTUFX-KRWDZBQOSA-N 1 2 400.483 0.640 20 0 HCADLO COc1ccccc1[C@@H](CO)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534526143 1074645171 /nfs/dbraw/zinc/64/51/71/1074645171.db2.gz QYUKKHNGYYTUFX-QGZVFWFLSA-N 1 2 400.483 0.640 20 0 HCADLO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534526320 1074645159 /nfs/dbraw/zinc/64/51/59/1074645159.db2.gz UCDCLJKRGHIMIK-IBGZPJMESA-N 1 2 421.509 0.494 20 0 HCADLO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534526321 1074645187 /nfs/dbraw/zinc/64/51/87/1074645187.db2.gz UCDCLJKRGHIMIK-LJQANCHMSA-N 1 2 421.509 0.494 20 0 HCADLO O=C(CCCn1c(=O)oc2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534526470 1074645149 /nfs/dbraw/zinc/64/51/49/1074645149.db2.gz XZEPDMZSWLZMLL-INIZCTEOSA-N 1 2 416.478 0.424 20 0 HCADLO O=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534526471 1074645195 /nfs/dbraw/zinc/64/51/95/1074645195.db2.gz XZEPDMZSWLZMLL-MRXNPFEDSA-N 1 2 416.478 0.424 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1cccc(-n2cncn2)c1 ZINC000534526536 1074645951 /nfs/dbraw/zinc/64/59/51/1074645951.db2.gz WXAQGLCNHRZPHM-UHFFFAOYSA-N 1 2 407.482 0.679 20 0 HCADLO CNC(=O)c1cccc(CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000534526674 1074646163 /nfs/dbraw/zinc/64/61/63/1074646163.db2.gz CTOWJMSXQXVECX-UHFFFAOYSA-N 1 2 411.510 0.500 20 0 HCADLO CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000534526861 1074646156 /nfs/dbraw/zinc/64/61/56/1074646156.db2.gz MFYXOESXPDVLBS-INIZCTEOSA-N 1 2 413.530 0.628 20 0 HCADLO CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000534526862 1074646168 /nfs/dbraw/zinc/64/61/68/1074646168.db2.gz MFYXOESXPDVLBS-MRXNPFEDSA-N 1 2 413.530 0.628 20 0 HCADLO CCN(CC)C(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000534528502 1074646842 /nfs/dbraw/zinc/64/68/42/1074646842.db2.gz HZNRLOOBVQLFSG-UHFFFAOYSA-N 1 2 418.546 0.388 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000534529545 1074646882 /nfs/dbraw/zinc/64/68/82/1074646882.db2.gz KRRQAYJZFSQVET-HNNXBMFYSA-N 1 2 416.448 0.943 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000534529547 1074646862 /nfs/dbraw/zinc/64/68/62/1074646862.db2.gz KRRQAYJZFSQVET-OAHLLOKOSA-N 1 2 416.448 0.943 20 0 HCADLO O=C(NCCNS(=O)(=O)c1cccnc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534530059 1074646819 /nfs/dbraw/zinc/64/68/19/1074646819.db2.gz IKZUBYJXQVODIE-UHFFFAOYSA-N 1 2 409.537 0.949 20 0 HCADLO CCc1nn(C)c(CC)c1CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534530579 1074647490 /nfs/dbraw/zinc/64/74/90/1074647490.db2.gz GJPGKOPPMSQEGE-UHFFFAOYSA-N 1 2 400.531 0.956 20 0 HCADLO Cn1cc([C@@H](CO)NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cn1 ZINC000534539381 1074643118 /nfs/dbraw/zinc/64/31/18/1074643118.db2.gz HEKWGSLLNYHPAD-GOSISDBHSA-N 1 2 400.483 0.856 20 0 HCADLO Cn1cc([C@H](CO)NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cn1 ZINC000534539382 1074643163 /nfs/dbraw/zinc/64/31/63/1074643163.db2.gz HEKWGSLLNYHPAD-SFHVURJKSA-N 1 2 400.483 0.856 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)c1)[NH+]1CCOCC1 ZINC000534539799 1074643176 /nfs/dbraw/zinc/64/31/76/1074643176.db2.gz OSBGUDLELNXOFW-KBXCAEBGSA-N 1 2 401.467 0.602 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)c1)[NH+]1CCOCC1 ZINC000534539800 1074643212 /nfs/dbraw/zinc/64/32/12/1074643212.db2.gz OSBGUDLELNXOFW-KDOFPFPSSA-N 1 2 401.467 0.602 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)c1)[NH+]1CCOCC1 ZINC000534539801 1074643614 /nfs/dbraw/zinc/64/36/14/1074643614.db2.gz OSBGUDLELNXOFW-KSSFIOAISA-N 1 2 401.467 0.602 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)c1)[NH+]1CCOCC1 ZINC000534539802 1074643657 /nfs/dbraw/zinc/64/36/57/1074643657.db2.gz OSBGUDLELNXOFW-RDTXWAMCSA-N 1 2 401.467 0.602 20 0 HCADLO O=S(=O)(NC1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1)c1ccc(F)cc1 ZINC000534543149 1074644301 /nfs/dbraw/zinc/64/43/01/1074644301.db2.gz HRVXDKYAXHAXLT-UHFFFAOYSA-N 1 2 420.528 0.508 20 0 HCADLO O=C(NCCN1C(=O)CCC1=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534548755 1074650742 /nfs/dbraw/zinc/65/07/42/1074650742.db2.gz WYCQTELVYUXOOM-UHFFFAOYSA-N 1 2 407.430 0.806 20 0 HCADLO O=C(NCCCN1C(=O)CNC1=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534548782 1074650696 /nfs/dbraw/zinc/65/06/96/1074650696.db2.gz YLXYAFLCYOXMAI-UHFFFAOYSA-N 1 2 422.445 0.598 20 0 HCADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000534549309 1074650037 /nfs/dbraw/zinc/65/00/37/1074650037.db2.gz BINHXABNFYZGRC-HNNXBMFYSA-N 1 2 406.446 0.776 20 0 HCADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000534549310 1074650033 /nfs/dbraw/zinc/65/00/33/1074650033.db2.gz BINHXABNFYZGRC-OAHLLOKOSA-N 1 2 406.446 0.776 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H](C(N)=O)O1 ZINC000534551702 1074651658 /nfs/dbraw/zinc/65/16/58/1074651658.db2.gz VSXPJRQQYYMHJM-CXAGYDPISA-N 1 2 409.446 0.642 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@@H](C(N)=O)O1 ZINC000534551706 1074651636 /nfs/dbraw/zinc/65/16/36/1074651636.db2.gz VSXPJRQQYYMHJM-DYVFJYSZSA-N 1 2 409.446 0.642 20 0 HCADLO O=C(NC1CC1)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000534556043 1074653240 /nfs/dbraw/zinc/65/32/40/1074653240.db2.gz HOIWBDHOXQUVRA-GOSISDBHSA-N 1 2 400.479 0.242 20 0 HCADLO O=C(NC1CC1)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000534556044 1074653202 /nfs/dbraw/zinc/65/32/02/1074653202.db2.gz HOIWBDHOXQUVRA-SFHVURJKSA-N 1 2 400.479 0.242 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cncc(N3CCOCC3)c2)CC1 ZINC000534564094 1074648973 /nfs/dbraw/zinc/64/89/73/1074648973.db2.gz BYRJWVVJYXBDOY-UHFFFAOYSA-N 1 2 403.527 0.935 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cncc(N3CCOCC3)c2)CC1 ZINC000534564094 1074648969 /nfs/dbraw/zinc/64/89/69/1074648969.db2.gz BYRJWVVJYXBDOY-UHFFFAOYSA-N 1 2 403.527 0.935 20 0 HCADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1=O ZINC000534583821 1074656979 /nfs/dbraw/zinc/65/69/79/1074656979.db2.gz PAQBKLJFUKYBBW-KRWDZBQOSA-N 1 2 412.446 0.653 20 0 HCADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1=O ZINC000534583821 1074656972 /nfs/dbraw/zinc/65/69/72/1074656972.db2.gz PAQBKLJFUKYBBW-KRWDZBQOSA-N 1 2 412.446 0.653 20 0 HCADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1=O ZINC000534583822 1074656900 /nfs/dbraw/zinc/65/69/00/1074656900.db2.gz PAQBKLJFUKYBBW-QGZVFWFLSA-N 1 2 412.446 0.653 20 0 HCADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1=O ZINC000534583822 1074656895 /nfs/dbraw/zinc/65/68/95/1074656895.db2.gz PAQBKLJFUKYBBW-QGZVFWFLSA-N 1 2 412.446 0.653 20 0 HCADLO NC(=O)c1cnn2c1nccc2C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000534586102 1074660310 /nfs/dbraw/zinc/66/03/10/1074660310.db2.gz MGKSBHDGVWAHRR-UHFFFAOYSA-N 1 2 411.441 0.519 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc3c(C(=O)OCC)cnn32)CC1 ZINC000534586575 1074660951 /nfs/dbraw/zinc/66/09/51/1074660951.db2.gz QMSZVGLPRLVBAD-UHFFFAOYSA-N 1 2 402.455 0.190 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc3c(C(=O)OCC)cnn32)CC1 ZINC000534586575 1074660948 /nfs/dbraw/zinc/66/09/48/1074660948.db2.gz QMSZVGLPRLVBAD-UHFFFAOYSA-N 1 2 402.455 0.190 20 0 HCADLO COc1cc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)ccc1S(=O)(=O)N(C)C ZINC000534599360 1074658734 /nfs/dbraw/zinc/65/87/34/1074658734.db2.gz AWNBUAXVSCNTCF-CYBMUJFWSA-N 1 2 400.501 0.788 20 0 HCADLO COc1cc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1S(=O)(=O)N(C)C ZINC000534599361 1074658800 /nfs/dbraw/zinc/65/88/00/1074658800.db2.gz AWNBUAXVSCNTCF-ZDUSSCGKSA-N 1 2 400.501 0.788 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)C[C@H](C)O1 ZINC000534608783 1074662793 /nfs/dbraw/zinc/66/27/93/1074662793.db2.gz ATVMARPRHAYSBJ-GASCZTMLSA-N 1 2 410.544 0.775 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)C[C@H](C)O1 ZINC000534608783 1074662788 /nfs/dbraw/zinc/66/27/88/1074662788.db2.gz ATVMARPRHAYSBJ-GASCZTMLSA-N 1 2 410.544 0.775 20 0 HCADLO C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)C[C@H](C)O1 ZINC000534608784 1074662766 /nfs/dbraw/zinc/66/27/66/1074662766.db2.gz ATVMARPRHAYSBJ-GJZGRUSLSA-N 1 2 410.544 0.775 20 0 HCADLO C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)C[C@H](C)O1 ZINC000534608784 1074662762 /nfs/dbraw/zinc/66/27/62/1074662762.db2.gz ATVMARPRHAYSBJ-GJZGRUSLSA-N 1 2 410.544 0.775 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)C[C@@H](C)O1 ZINC000534608785 1074662871 /nfs/dbraw/zinc/66/28/71/1074662871.db2.gz ATVMARPRHAYSBJ-HUUCEWRRSA-N 1 2 410.544 0.775 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)C[C@@H](C)O1 ZINC000534608785 1074662866 /nfs/dbraw/zinc/66/28/66/1074662866.db2.gz ATVMARPRHAYSBJ-HUUCEWRRSA-N 1 2 410.544 0.775 20 0 HCADLO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)CC(C)(CO)CO ZINC000534654933 1074670375 /nfs/dbraw/zinc/67/03/75/1074670375.db2.gz XETJMXWDQMYMJC-UHFFFAOYSA-N 1 2 413.540 0.722 20 0 HCADLO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)CC(C)(CO)CO ZINC000534654933 1074670371 /nfs/dbraw/zinc/67/03/71/1074670371.db2.gz XETJMXWDQMYMJC-UHFFFAOYSA-N 1 2 413.540 0.722 20 0 HCADLO CCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(=O)[nH]c1=O ZINC000534656560 1074670340 /nfs/dbraw/zinc/67/03/40/1074670340.db2.gz ZGBCSMDGVDEHMC-UHFFFAOYSA-N 1 2 415.450 0.790 20 0 HCADLO Cc1c(C(=O)N2CC[NH+](CCn3cncn3)CC2)cnn1CCO[C@H]1CCCCO1 ZINC000534674255 1074674923 /nfs/dbraw/zinc/67/49/23/1074674923.db2.gz PETZASXRNZWJMU-IBGZPJMESA-N 1 2 417.514 0.784 20 0 HCADLO Cc1c(C(=O)N2CC[NH+](CCn3cncn3)CC2)cnn1CCO[C@@H]1CCCCO1 ZINC000534674256 1074674990 /nfs/dbraw/zinc/67/49/90/1074674990.db2.gz PETZASXRNZWJMU-LJQANCHMSA-N 1 2 417.514 0.784 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)COc2cccc(C(=O)NC)c2)CC1 ZINC000534685223 1074673381 /nfs/dbraw/zinc/67/33/81/1074673381.db2.gz GGDSHMDOYFYXJH-UHFFFAOYSA-N 1 2 404.511 0.828 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)COc2cccc(C(=O)NC)c2)CC1 ZINC000534685223 1074673377 /nfs/dbraw/zinc/67/33/77/1074673377.db2.gz GGDSHMDOYFYXJH-UHFFFAOYSA-N 1 2 404.511 0.828 20 0 HCADLO C[C@H](CO)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000534692202 1074675105 /nfs/dbraw/zinc/67/51/05/1074675105.db2.gz PDCOKHGENJSMRF-INIZCTEOSA-N 1 2 413.544 0.241 20 0 HCADLO C[C@@H](CO)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000534692213 1074674911 /nfs/dbraw/zinc/67/49/11/1074674911.db2.gz PDCOKHGENJSMRF-MRXNPFEDSA-N 1 2 413.544 0.241 20 0 HCADLO COC(=O)c1ccccc1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534693490 1074675090 /nfs/dbraw/zinc/67/50/90/1074675090.db2.gz XBBNTUIIXPCVRP-KRWDZBQOSA-N 1 2 403.479 0.455 20 0 HCADLO Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000534693947 1074681033 /nfs/dbraw/zinc/68/10/33/1074681033.db2.gz AFGFLJVHBVCZLN-INIZCTEOSA-N 1 2 423.535 0.370 20 0 HCADLO Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000534693949 1074681002 /nfs/dbraw/zinc/68/10/02/1074681002.db2.gz AFGFLJVHBVCZLN-MRXNPFEDSA-N 1 2 423.535 0.370 20 0 HCADLO Cc1cnc(CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC000534697797 1074677713 /nfs/dbraw/zinc/67/77/13/1074677713.db2.gz UBNRZEFQIWGMFC-UHFFFAOYSA-N 1 2 412.498 0.486 20 0 HCADLO Cc1cnc(CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC000534697797 1074677709 /nfs/dbraw/zinc/67/77/09/1074677709.db2.gz UBNRZEFQIWGMFC-UHFFFAOYSA-N 1 2 412.498 0.486 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000534701838 1074678733 /nfs/dbraw/zinc/67/87/33/1074678733.db2.gz MTPOAHKQAHCTAE-MOPGFXCFSA-N 1 2 404.511 0.370 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000534701857 1074678649 /nfs/dbraw/zinc/67/86/49/1074678649.db2.gz MTPOAHKQAHCTAE-OALUTQOASA-N 1 2 404.511 0.370 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000534701860 1074678764 /nfs/dbraw/zinc/67/87/64/1074678764.db2.gz MTPOAHKQAHCTAE-RBUKOAKNSA-N 1 2 404.511 0.370 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000534701861 1074678693 /nfs/dbraw/zinc/67/86/93/1074678693.db2.gz MTPOAHKQAHCTAE-RTBURBONSA-N 1 2 404.511 0.370 20 0 HCADLO COc1ccccc1CN(CCO)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534711058 1074679903 /nfs/dbraw/zinc/67/99/03/1074679903.db2.gz OGNRCPCMKJNPNV-GOSISDBHSA-N 1 2 405.495 0.197 20 0 HCADLO COc1ccccc1CN(CCO)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534711081 1074679963 /nfs/dbraw/zinc/67/99/63/1074679963.db2.gz OGNRCPCMKJNPNV-SFHVURJKSA-N 1 2 405.495 0.197 20 0 HCADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)CC1 ZINC000534717832 1074696623 /nfs/dbraw/zinc/69/66/23/1074696623.db2.gz RMUURDQPYNTDFH-AWEZNQCLSA-N 1 2 415.512 0.604 20 0 HCADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)CC1 ZINC000534717841 1074696586 /nfs/dbraw/zinc/69/65/86/1074696586.db2.gz RMUURDQPYNTDFH-CQSZACIVSA-N 1 2 415.512 0.604 20 0 HCADLO COCC1(O)CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000534719444 1074696690 /nfs/dbraw/zinc/69/66/90/1074696690.db2.gz KNQDXZCFRFFLEP-UHFFFAOYSA-N 1 2 405.499 0.303 20 0 HCADLO Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC000534758065 1074702226 /nfs/dbraw/zinc/70/22/26/1074702226.db2.gz RDLPNGSKOIUSIJ-HNNXBMFYSA-N 1 2 409.508 0.518 20 0 HCADLO Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC000534758070 1074702076 /nfs/dbraw/zinc/70/20/76/1074702076.db2.gz RDLPNGSKOIUSIJ-OAHLLOKOSA-N 1 2 409.508 0.518 20 0 HCADLO Cc1cncc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000534767929 1074701370 /nfs/dbraw/zinc/70/13/70/1074701370.db2.gz SAWSZUZGJXVWHW-UHFFFAOYSA-N 1 2 418.523 0.736 20 0 HCADLO NC(=O)CCNC(=O)c1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000534770656 1074701314 /nfs/dbraw/zinc/70/13/14/1074701314.db2.gz BVABLLCPKMSNHT-KRWDZBQOSA-N 1 2 403.483 0.620 20 0 HCADLO NC(=O)CCNC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000534770666 1074701439 /nfs/dbraw/zinc/70/14/39/1074701439.db2.gz BVABLLCPKMSNHT-QGZVFWFLSA-N 1 2 403.483 0.620 20 0 HCADLO COc1ccc2c(c1)OC[C@H]2CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534801235 1074706729 /nfs/dbraw/zinc/70/67/29/1074706729.db2.gz ACPDCPQFMAHPHX-CVEARBPZSA-N 1 2 403.479 0.611 20 0 HCADLO COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534801236 1074706651 /nfs/dbraw/zinc/70/66/51/1074706651.db2.gz ACPDCPQFMAHPHX-HOTGVXAUSA-N 1 2 403.479 0.611 20 0 HCADLO COc1ccc2c(c1)OC[C@H]2CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534801237 1074706780 /nfs/dbraw/zinc/70/67/80/1074706780.db2.gz ACPDCPQFMAHPHX-HZPDHXFCSA-N 1 2 403.479 0.611 20 0 HCADLO COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534801238 1074706688 /nfs/dbraw/zinc/70/66/88/1074706688.db2.gz ACPDCPQFMAHPHX-JKSUJKDBSA-N 1 2 403.479 0.611 20 0 HCADLO CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1CC[NH+](C)CC1 ZINC000534802777 1074706808 /nfs/dbraw/zinc/70/68/08/1074706808.db2.gz FIMIXTFANHXIQG-UHFFFAOYSA-N 1 2 411.553 0.960 20 0 HCADLO O=C(CN1C(=O)NC2(CCC(=O)CC2)C1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000534803193 1074707371 /nfs/dbraw/zinc/70/73/71/1074707371.db2.gz WDYJBZRUQWCYKH-UHFFFAOYSA-N 1 2 404.492 0.826 20 0 HCADLO COC(=O)c1nscc1S(=O)(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534804415 1074707943 /nfs/dbraw/zinc/70/79/43/1074707943.db2.gz JWLNYDVRFCGSSD-KBPBESRZSA-N 1 2 411.505 0.843 20 0 HCADLO COC(=O)c1nscc1S(=O)(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534804415 1074707932 /nfs/dbraw/zinc/70/79/32/1074707932.db2.gz JWLNYDVRFCGSSD-KBPBESRZSA-N 1 2 411.505 0.843 20 0 HCADLO COC(=O)c1nscc1S(=O)(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534804420 1074707230 /nfs/dbraw/zinc/70/72/30/1074707230.db2.gz JWLNYDVRFCGSSD-KGLIPLIRSA-N 1 2 411.505 0.843 20 0 HCADLO COC(=O)c1nscc1S(=O)(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534804420 1074707217 /nfs/dbraw/zinc/70/72/17/1074707217.db2.gz JWLNYDVRFCGSSD-KGLIPLIRSA-N 1 2 411.505 0.843 20 0 HCADLO COC(=O)c1nscc1S(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534804421 1074707056 /nfs/dbraw/zinc/70/70/56/1074707056.db2.gz JWLNYDVRFCGSSD-UONOGXRCSA-N 1 2 411.505 0.843 20 0 HCADLO COC(=O)c1nscc1S(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534804421 1074707052 /nfs/dbraw/zinc/70/70/52/1074707052.db2.gz JWLNYDVRFCGSSD-UONOGXRCSA-N 1 2 411.505 0.843 20 0 HCADLO COC(=O)c1nscc1S(=O)(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534804422 1074707158 /nfs/dbraw/zinc/70/71/58/1074707158.db2.gz JWLNYDVRFCGSSD-ZIAGYGMSSA-N 1 2 411.505 0.843 20 0 HCADLO COC(=O)c1nscc1S(=O)(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534804422 1074707152 /nfs/dbraw/zinc/70/71/52/1074707152.db2.gz JWLNYDVRFCGSSD-ZIAGYGMSSA-N 1 2 411.505 0.843 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000534816636 1074705784 /nfs/dbraw/zinc/70/57/84/1074705784.db2.gz MFEFKIMYJMREEN-DZGCQCFKSA-N 1 2 412.899 0.461 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000534816636 1074705776 /nfs/dbraw/zinc/70/57/76/1074705776.db2.gz MFEFKIMYJMREEN-DZGCQCFKSA-N 1 2 412.899 0.461 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000534816637 1074706288 /nfs/dbraw/zinc/70/62/88/1074706288.db2.gz MFEFKIMYJMREEN-HIFRSBDPSA-N 1 2 412.899 0.461 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000534816637 1074706278 /nfs/dbraw/zinc/70/62/78/1074706278.db2.gz MFEFKIMYJMREEN-HIFRSBDPSA-N 1 2 412.899 0.461 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000534816701 1074705616 /nfs/dbraw/zinc/70/56/16/1074705616.db2.gz MFEFKIMYJMREEN-UKRRQHHQSA-N 1 2 412.899 0.461 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000534816701 1074705602 /nfs/dbraw/zinc/70/56/02/1074705602.db2.gz MFEFKIMYJMREEN-UKRRQHHQSA-N 1 2 412.899 0.461 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000534816702 1074705509 /nfs/dbraw/zinc/70/55/09/1074705509.db2.gz MFEFKIMYJMREEN-ZFWWWQNUSA-N 1 2 412.899 0.461 20 0 HCADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000534816702 1074705497 /nfs/dbraw/zinc/70/54/97/1074705497.db2.gz MFEFKIMYJMREEN-ZFWWWQNUSA-N 1 2 412.899 0.461 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000534825371 1074708381 /nfs/dbraw/zinc/70/83/81/1074708381.db2.gz BWDXETXOXSQSEF-AWEZNQCLSA-N 1 2 414.871 0.584 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000534825371 1074708373 /nfs/dbraw/zinc/70/83/73/1074708373.db2.gz BWDXETXOXSQSEF-AWEZNQCLSA-N 1 2 414.871 0.584 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000534825522 1074708308 /nfs/dbraw/zinc/70/83/08/1074708308.db2.gz JTRIETRZJIYWFC-LBPRGKRZSA-N 1 2 410.814 0.450 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000534825522 1074708302 /nfs/dbraw/zinc/70/83/02/1074708302.db2.gz JTRIETRZJIYWFC-LBPRGKRZSA-N 1 2 410.814 0.450 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000534826150 1074708282 /nfs/dbraw/zinc/70/82/82/1074708282.db2.gz ZDCLBFYQWTVCFE-LBPRGKRZSA-N 1 2 412.493 0.770 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000534826150 1074708270 /nfs/dbraw/zinc/70/82/70/1074708270.db2.gz ZDCLBFYQWTVCFE-LBPRGKRZSA-N 1 2 412.493 0.770 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000534826814 1074708194 /nfs/dbraw/zinc/70/81/94/1074708194.db2.gz WAQYNAIEZBTCLO-ZDUSSCGKSA-N 1 2 410.452 0.610 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000534826814 1074708186 /nfs/dbraw/zinc/70/81/86/1074708186.db2.gz WAQYNAIEZBTCLO-ZDUSSCGKSA-N 1 2 410.452 0.610 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000534827322 1074708116 /nfs/dbraw/zinc/70/81/16/1074708116.db2.gz DHXZQTBKFBFRBY-AWEZNQCLSA-N 1 2 422.463 0.373 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000534827322 1074708106 /nfs/dbraw/zinc/70/81/06/1074708106.db2.gz DHXZQTBKFBFRBY-AWEZNQCLSA-N 1 2 422.463 0.373 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000534828043 1074708925 /nfs/dbraw/zinc/70/89/25/1074708925.db2.gz LUEJJEXKLIFXOD-DOMZBBRYSA-N 1 2 414.418 0.434 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000534828043 1074708914 /nfs/dbraw/zinc/70/89/14/1074708914.db2.gz LUEJJEXKLIFXOD-DOMZBBRYSA-N 1 2 414.418 0.434 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000534828044 1074708858 /nfs/dbraw/zinc/70/88/58/1074708858.db2.gz LUEJJEXKLIFXOD-WFASDCNBSA-N 1 2 414.418 0.434 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000534828044 1074708844 /nfs/dbraw/zinc/70/88/44/1074708844.db2.gz LUEJJEXKLIFXOD-WFASDCNBSA-N 1 2 414.418 0.434 20 0 HCADLO Cc1cc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)n(-c2ccccc2F)n1 ZINC000534831207 1074709746 /nfs/dbraw/zinc/70/97/46/1074709746.db2.gz DQQOXDWRNBLVOQ-UHFFFAOYSA-N 1 2 400.414 0.932 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)[NH+]1CCOCC1 ZINC000534832990 1074711161 /nfs/dbraw/zinc/71/11/61/1074711161.db2.gz WQMHJZBHHYEVLA-HNNXBMFYSA-N 1 2 402.455 0.073 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)[NH+]1CCOCC1 ZINC000534832991 1074711342 /nfs/dbraw/zinc/71/13/42/1074711342.db2.gz WQMHJZBHHYEVLA-OAHLLOKOSA-N 1 2 402.455 0.073 20 0 HCADLO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000534833283 1074711650 /nfs/dbraw/zinc/71/16/50/1074711650.db2.gz APKKZNMJODNUPN-BZUAXINKSA-N 1 2 422.503 0.312 20 0 HCADLO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000534833283 1074711642 /nfs/dbraw/zinc/71/16/42/1074711642.db2.gz APKKZNMJODNUPN-BZUAXINKSA-N 1 2 422.503 0.312 20 0 HCADLO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000534833284 1074711693 /nfs/dbraw/zinc/71/16/93/1074711693.db2.gz APKKZNMJODNUPN-OAGGEKHMSA-N 1 2 422.503 0.312 20 0 HCADLO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000534833284 1074711678 /nfs/dbraw/zinc/71/16/78/1074711678.db2.gz APKKZNMJODNUPN-OAGGEKHMSA-N 1 2 422.503 0.312 20 0 HCADLO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000534833286 1074711849 /nfs/dbraw/zinc/71/18/49/1074711849.db2.gz APKKZNMJODNUPN-XHSDSOJGSA-N 1 2 422.503 0.312 20 0 HCADLO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000534833286 1074711842 /nfs/dbraw/zinc/71/18/42/1074711842.db2.gz APKKZNMJODNUPN-XHSDSOJGSA-N 1 2 422.503 0.312 20 0 HCADLO NS(=O)(=O)c1ccc(OCC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000534834358 1074712198 /nfs/dbraw/zinc/71/21/98/1074712198.db2.gz QXTLEELIFIUYMK-GDBMZVCRSA-N 1 2 418.537 0.381 20 0 HCADLO NS(=O)(=O)c1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000534834358 1074712188 /nfs/dbraw/zinc/71/21/88/1074712188.db2.gz QXTLEELIFIUYMK-GDBMZVCRSA-N 1 2 418.537 0.381 20 0 HCADLO NS(=O)(=O)c1ccc(OCC[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000534834359 1074712348 /nfs/dbraw/zinc/71/23/48/1074712348.db2.gz QXTLEELIFIUYMK-GOEBONIOSA-N 1 2 418.537 0.381 20 0 HCADLO NS(=O)(=O)c1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000534834359 1074712340 /nfs/dbraw/zinc/71/23/40/1074712340.db2.gz QXTLEELIFIUYMK-GOEBONIOSA-N 1 2 418.537 0.381 20 0 HCADLO NS(=O)(=O)c1ccc(OCC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000534834360 1074712142 /nfs/dbraw/zinc/71/21/42/1074712142.db2.gz QXTLEELIFIUYMK-HOCLYGCPSA-N 1 2 418.537 0.381 20 0 HCADLO NS(=O)(=O)c1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000534834360 1074712136 /nfs/dbraw/zinc/71/21/36/1074712136.db2.gz QXTLEELIFIUYMK-HOCLYGCPSA-N 1 2 418.537 0.381 20 0 HCADLO NS(=O)(=O)c1ccc(OCC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000534834361 1074712325 /nfs/dbraw/zinc/71/23/25/1074712325.db2.gz QXTLEELIFIUYMK-ZBFHGGJFSA-N 1 2 418.537 0.381 20 0 HCADLO NS(=O)(=O)c1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000534834361 1074712318 /nfs/dbraw/zinc/71/23/18/1074712318.db2.gz QXTLEELIFIUYMK-ZBFHGGJFSA-N 1 2 418.537 0.381 20 0 HCADLO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000534835254 1074713196 /nfs/dbraw/zinc/71/31/96/1074713196.db2.gz MGRFXHWMODSVDK-UHFFFAOYSA-N 1 2 403.830 0.533 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)[NH+]1CCOCC1 ZINC000534835312 1074713137 /nfs/dbraw/zinc/71/31/37/1074713137.db2.gz RFAFSTPURBUTLA-AWEZNQCLSA-N 1 2 416.482 0.463 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)[NH+]1CCOCC1 ZINC000534835317 1074713751 /nfs/dbraw/zinc/71/37/51/1074713751.db2.gz RFAFSTPURBUTLA-CQSZACIVSA-N 1 2 416.482 0.463 20 0 HCADLO O=C1NC(=O)C2(CC[NH+](CCS(=O)(=O)c3cccc(Br)c3)CC2)N1 ZINC000534835612 1074713072 /nfs/dbraw/zinc/71/30/72/1074713072.db2.gz WRZZUPICJXPBKF-UHFFFAOYSA-N 1 2 416.297 0.897 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)C(F)(F)F)c2)CC1 ZINC000534838630 1074721722 /nfs/dbraw/zinc/72/17/22/1074721722.db2.gz ZFMJNYCOBSSSDH-KRWDZBQOSA-N 1 2 402.417 0.802 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)C(F)(F)F)c2)CC1 ZINC000534838631 1074721842 /nfs/dbraw/zinc/72/18/42/1074721842.db2.gz ZFMJNYCOBSSSDH-QGZVFWFLSA-N 1 2 402.417 0.802 20 0 HCADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534851761 1074717468 /nfs/dbraw/zinc/71/74/68/1074717468.db2.gz GPIZHCQQHOVDNL-UHFFFAOYSA-N 1 2 417.466 0.075 20 0 HCADLO Cc1cc(C)c(NC(=O)CNC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c(C)c1 ZINC000534852143 1074718706 /nfs/dbraw/zinc/71/87/06/1074718706.db2.gz QGBAHXWLWILIKA-UHFFFAOYSA-N 1 2 415.494 0.683 20 0 HCADLO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc21 ZINC000534855313 1074720268 /nfs/dbraw/zinc/72/02/68/1074720268.db2.gz KXCIFDNBZVDNKK-CVEARBPZSA-N 1 2 414.466 0.360 20 0 HCADLO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc21 ZINC000534855333 1074720844 /nfs/dbraw/zinc/72/08/44/1074720844.db2.gz KXCIFDNBZVDNKK-HOTGVXAUSA-N 1 2 414.466 0.360 20 0 HCADLO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cc21 ZINC000534855335 1074720629 /nfs/dbraw/zinc/72/06/29/1074720629.db2.gz KXCIFDNBZVDNKK-HZPDHXFCSA-N 1 2 414.466 0.360 20 0 HCADLO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)cc21 ZINC000534855336 1074720765 /nfs/dbraw/zinc/72/07/65/1074720765.db2.gz KXCIFDNBZVDNKK-JKSUJKDBSA-N 1 2 414.466 0.360 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534856445 1074720946 /nfs/dbraw/zinc/72/09/46/1074720946.db2.gz KRDXJYDKLZRQEX-UHFFFAOYSA-N 1 2 402.455 0.170 20 0 HCADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534858962 1074726817 /nfs/dbraw/zinc/72/68/17/1074726817.db2.gz GPAKFYPAPDNXHB-UHFFFAOYSA-N 1 2 421.885 0.719 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c(=O)[nH]c1=O ZINC000534859433 1074726669 /nfs/dbraw/zinc/72/66/69/1074726669.db2.gz BUKYTKTVPZIWIO-AWEZNQCLSA-N 1 2 408.499 0.887 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c(=O)[nH]c1=O ZINC000534859435 1074726793 /nfs/dbraw/zinc/72/67/93/1074726793.db2.gz BUKYTKTVPZIWIO-CQSZACIVSA-N 1 2 408.499 0.887 20 0 HCADLO COCCN(C(=O)CN1CCC(Nc2cccc[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000534861590 1074726863 /nfs/dbraw/zinc/72/68/63/1074726863.db2.gz UFXXJAJGMIGFNW-KRWDZBQOSA-N 1 2 410.540 0.620 20 0 HCADLO COCCN(C(=O)CN1CCC(Nc2cccc[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000534861591 1074726746 /nfs/dbraw/zinc/72/67/46/1074726746.db2.gz UFXXJAJGMIGFNW-QGZVFWFLSA-N 1 2 410.540 0.620 20 0 HCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000534863191 1074727687 /nfs/dbraw/zinc/72/76/87/1074727687.db2.gz CJGNSWWFYBUPQA-GOSISDBHSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000534863191 1074727682 /nfs/dbraw/zinc/72/76/82/1074727682.db2.gz CJGNSWWFYBUPQA-GOSISDBHSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000534863192 1074727589 /nfs/dbraw/zinc/72/75/89/1074727589.db2.gz CJGNSWWFYBUPQA-SFHVURJKSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000534863192 1074727582 /nfs/dbraw/zinc/72/75/82/1074727582.db2.gz CJGNSWWFYBUPQA-SFHVURJKSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000534864150 1074727728 /nfs/dbraw/zinc/72/77/28/1074727728.db2.gz XPPUSTMUYWMDCD-KRWDZBQOSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000534864150 1074727722 /nfs/dbraw/zinc/72/77/22/1074727722.db2.gz XPPUSTMUYWMDCD-KRWDZBQOSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000534864152 1074727785 /nfs/dbraw/zinc/72/77/85/1074727785.db2.gz XPPUSTMUYWMDCD-QGZVFWFLSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000534864152 1074727779 /nfs/dbraw/zinc/72/77/79/1074727779.db2.gz XPPUSTMUYWMDCD-QGZVFWFLSA-N 1 2 411.499 0.769 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000534864233 1074728207 /nfs/dbraw/zinc/72/82/07/1074728207.db2.gz YVDKARQGDPWYIE-DZGCQCFKSA-N 1 2 406.508 0.308 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000534864233 1074728202 /nfs/dbraw/zinc/72/82/02/1074728202.db2.gz YVDKARQGDPWYIE-DZGCQCFKSA-N 1 2 406.508 0.308 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000534864234 1074728282 /nfs/dbraw/zinc/72/82/82/1074728282.db2.gz YVDKARQGDPWYIE-HIFRSBDPSA-N 1 2 406.508 0.308 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000534864234 1074728274 /nfs/dbraw/zinc/72/82/74/1074728274.db2.gz YVDKARQGDPWYIE-HIFRSBDPSA-N 1 2 406.508 0.308 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000534864236 1074728332 /nfs/dbraw/zinc/72/83/32/1074728332.db2.gz YVDKARQGDPWYIE-UKRRQHHQSA-N 1 2 406.508 0.308 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000534864236 1074728325 /nfs/dbraw/zinc/72/83/25/1074728325.db2.gz YVDKARQGDPWYIE-UKRRQHHQSA-N 1 2 406.508 0.308 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000534864238 1074728472 /nfs/dbraw/zinc/72/84/72/1074728472.db2.gz YVDKARQGDPWYIE-ZFWWWQNUSA-N 1 2 406.508 0.308 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000534864238 1074728464 /nfs/dbraw/zinc/72/84/64/1074728464.db2.gz YVDKARQGDPWYIE-ZFWWWQNUSA-N 1 2 406.508 0.308 20 0 HCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000534864382 1074727752 /nfs/dbraw/zinc/72/77/52/1074727752.db2.gz ISFBXZSAWWYOTN-IBGZPJMESA-N 1 2 407.536 0.771 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000534864382 1074727747 /nfs/dbraw/zinc/72/77/47/1074727747.db2.gz ISFBXZSAWWYOTN-IBGZPJMESA-N 1 2 407.536 0.771 20 0 HCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000534864383 1074727853 /nfs/dbraw/zinc/72/78/53/1074727853.db2.gz ISFBXZSAWWYOTN-LJQANCHMSA-N 1 2 407.536 0.771 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000534864383 1074727843 /nfs/dbraw/zinc/72/78/43/1074727843.db2.gz ISFBXZSAWWYOTN-LJQANCHMSA-N 1 2 407.536 0.771 20 0 HCADLO CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C[C@H](O)C[NH+]1CCOCC1 ZINC000534872267 1074724196 /nfs/dbraw/zinc/72/41/96/1074724196.db2.gz XPQSEWQXUCYGEJ-KRWDZBQOSA-N 1 2 409.508 0.870 20 0 HCADLO CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000534872268 1074723888 /nfs/dbraw/zinc/72/38/88/1074723888.db2.gz XPQSEWQXUCYGEJ-QGZVFWFLSA-N 1 2 409.508 0.870 20 0 HCADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c(OC)c1 ZINC000534873936 1074724372 /nfs/dbraw/zinc/72/43/72/1074724372.db2.gz SNTLJVVIKTVYJV-UHFFFAOYSA-N 1 2 421.541 0.146 20 0 HCADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c(OC)c1 ZINC000534873936 1074724366 /nfs/dbraw/zinc/72/43/66/1074724366.db2.gz SNTLJVVIKTVYJV-UHFFFAOYSA-N 1 2 421.541 0.146 20 0 HCADLO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000534875720 1074724424 /nfs/dbraw/zinc/72/44/24/1074724424.db2.gz DKMUTWHHBBEVPR-UHFFFAOYSA-N 1 2 419.551 0.917 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH+]2CCC(S(N)(=O)=O)CC2)cc1 ZINC000534876199 1074724718 /nfs/dbraw/zinc/72/47/18/1074724718.db2.gz RVYQGIOOHFHRLR-UHFFFAOYSA-N 1 2 403.526 0.562 20 0 HCADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000534876338 1074725271 /nfs/dbraw/zinc/72/52/71/1074725271.db2.gz UIHZSLGCTILPKR-UHFFFAOYSA-N 1 2 408.524 0.196 20 0 HCADLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000534876492 1074724770 /nfs/dbraw/zinc/72/47/70/1074724770.db2.gz ZXAQKJLSCNVCFR-UHFFFAOYSA-N 1 2 410.540 0.925 20 0 HCADLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000534876651 1074724882 /nfs/dbraw/zinc/72/48/82/1074724882.db2.gz OPMDUKXPNOOPCW-AWEZNQCLSA-N 1 2 410.540 0.787 20 0 HCADLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000534876652 1074724984 /nfs/dbraw/zinc/72/49/84/1074724984.db2.gz OPMDUKXPNOOPCW-CQSZACIVSA-N 1 2 410.540 0.787 20 0 HCADLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534876755 1074725003 /nfs/dbraw/zinc/72/50/03/1074725003.db2.gz WQOYLSXFAASQTI-HNNXBMFYSA-N 1 2 410.540 0.747 20 0 HCADLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534876756 1074724857 /nfs/dbraw/zinc/72/48/57/1074724857.db2.gz WQOYLSXFAASQTI-OAHLLOKOSA-N 1 2 410.540 0.747 20 0 HCADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000534876776 1074724698 /nfs/dbraw/zinc/72/46/98/1074724698.db2.gz XUEGDPLQHRHOCR-UHFFFAOYSA-N 1 2 412.468 0.106 20 0 HCADLO CCOc1cc(C[NH+]2CCC(S(N)(=O)=O)CC2)nc2nc(C(F)(F)F)nn21 ZINC000534877473 1074727290 /nfs/dbraw/zinc/72/72/90/1074727290.db2.gz WMUSUAZCUFUWJF-UHFFFAOYSA-N 1 2 408.406 0.795 20 0 HCADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000534877490 1074723070 /nfs/dbraw/zinc/72/30/70/1074723070.db2.gz XVWWJSBBLOMGMU-UHFFFAOYSA-N 1 2 405.524 0.548 20 0 HCADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)CC1 ZINC000534882334 1074730202 /nfs/dbraw/zinc/73/02/02/1074730202.db2.gz YJKBVUPGCJDUAN-UHFFFAOYSA-N 1 2 424.523 0.532 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc(-c2cccnc2)s1 ZINC000534886898 1074730642 /nfs/dbraw/zinc/73/06/42/1074730642.db2.gz VNLGPOAMMRGNRZ-HNNXBMFYSA-N 1 2 401.492 0.868 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc(-c2cccnc2)s1 ZINC000534886957 1074730688 /nfs/dbraw/zinc/73/06/88/1074730688.db2.gz VNLGPOAMMRGNRZ-OAHLLOKOSA-N 1 2 401.492 0.868 20 0 HCADLO Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000534920222 1074735463 /nfs/dbraw/zinc/73/54/63/1074735463.db2.gz IOMQBDFFGRMBEI-AEFFLSMTSA-N 1 2 417.510 0.165 20 0 HCADLO Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000534920223 1074735861 /nfs/dbraw/zinc/73/58/61/1074735861.db2.gz IOMQBDFFGRMBEI-FUHWJXTLSA-N 1 2 417.510 0.165 20 0 HCADLO Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000534920224 1074735907 /nfs/dbraw/zinc/73/59/07/1074735907.db2.gz IOMQBDFFGRMBEI-SJLPKXTDSA-N 1 2 417.510 0.165 20 0 HCADLO Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000534920225 1074735757 /nfs/dbraw/zinc/73/57/57/1074735757.db2.gz IOMQBDFFGRMBEI-WMZOPIPTSA-N 1 2 417.510 0.165 20 0 HCADLO COc1ccc(NC(=O)CSCC[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000534934498 1074737596 /nfs/dbraw/zinc/73/75/96/1074737596.db2.gz SPTJQVNZZRFAKC-UHFFFAOYSA-N 1 2 417.553 0.949 20 0 HCADLO O=C(CSCC[NH+]1CCOCC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000534935096 1074734249 /nfs/dbraw/zinc/73/42/49/1074734249.db2.gz YHDQOFRJEYSBGS-UHFFFAOYSA-N 1 2 407.536 0.841 20 0 HCADLO CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000534939452 1074734944 /nfs/dbraw/zinc/73/49/44/1074734944.db2.gz XIPKPOBQKBVRCC-UHFFFAOYSA-N 1 2 413.507 0.779 20 0 HCADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000534939938 1074734890 /nfs/dbraw/zinc/73/48/90/1074734890.db2.gz BWMVGYAYXLBDNZ-HNNXBMFYSA-N 1 2 403.508 0.874 20 0 HCADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000534939939 1074735048 /nfs/dbraw/zinc/73/50/48/1074735048.db2.gz BWMVGYAYXLBDNZ-OAHLLOKOSA-N 1 2 403.508 0.874 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ncccc2F)CC1 ZINC000534951546 1074739284 /nfs/dbraw/zinc/73/92/84/1074739284.db2.gz SHICNNKQCOBMNY-INIZCTEOSA-N 1 2 405.474 0.050 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ncccc2F)CC1 ZINC000534951553 1074739358 /nfs/dbraw/zinc/73/93/58/1074739358.db2.gz SHICNNKQCOBMNY-MRXNPFEDSA-N 1 2 405.474 0.050 20 0 HCADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534965516 1074740477 /nfs/dbraw/zinc/74/04/77/1074740477.db2.gz WREJBINFGFICLT-LLVKDONJSA-N 1 2 401.389 0.845 20 0 HCADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534965516 1074740471 /nfs/dbraw/zinc/74/04/71/1074740471.db2.gz WREJBINFGFICLT-LLVKDONJSA-N 1 2 401.389 0.845 20 0 HCADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000534965517 1074740616 /nfs/dbraw/zinc/74/06/16/1074740616.db2.gz WREJBINFGFICLT-NSHDSACASA-N 1 2 401.389 0.845 20 0 HCADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000534965517 1074740607 /nfs/dbraw/zinc/74/06/07/1074740607.db2.gz WREJBINFGFICLT-NSHDSACASA-N 1 2 401.389 0.845 20 0 HCADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534967068 1074741029 /nfs/dbraw/zinc/74/10/29/1074741029.db2.gz BCIKZXFZVMYSNT-GDBMZVCRSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534967068 1074741023 /nfs/dbraw/zinc/74/10/23/1074741023.db2.gz BCIKZXFZVMYSNT-GDBMZVCRSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534967069 1074740888 /nfs/dbraw/zinc/74/08/88/1074740888.db2.gz BCIKZXFZVMYSNT-GOEBONIOSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000534967069 1074740881 /nfs/dbraw/zinc/74/08/81/1074740881.db2.gz BCIKZXFZVMYSNT-GOEBONIOSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000534967070 1074740918 /nfs/dbraw/zinc/74/09/18/1074740918.db2.gz BCIKZXFZVMYSNT-HOCLYGCPSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000534967070 1074740911 /nfs/dbraw/zinc/74/09/11/1074740911.db2.gz BCIKZXFZVMYSNT-HOCLYGCPSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000534967071 1074741003 /nfs/dbraw/zinc/74/10/03/1074741003.db2.gz BCIKZXFZVMYSNT-ZBFHGGJFSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000534967071 1074740994 /nfs/dbraw/zinc/74/09/94/1074740994.db2.gz BCIKZXFZVMYSNT-ZBFHGGJFSA-N 1 2 423.539 0.931 20 0 HCADLO C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCN1CC(F)(F)F ZINC000534975886 1074741370 /nfs/dbraw/zinc/74/13/70/1074741370.db2.gz JHWXFLVTYORAMT-HNNXBMFYSA-N 1 2 415.464 0.877 20 0 HCADLO C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCN1CC(F)(F)F ZINC000534975910 1074741213 /nfs/dbraw/zinc/74/12/13/1074741213.db2.gz JHWXFLVTYORAMT-OAHLLOKOSA-N 1 2 415.464 0.877 20 0 HCADLO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1CC(F)(F)F ZINC000534983299 1074744898 /nfs/dbraw/zinc/74/48/98/1074744898.db2.gz PJBWDTJOQIKHAY-CABCVRRESA-N 1 2 406.449 0.262 20 0 HCADLO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1CC(F)(F)F ZINC000534983302 1074744829 /nfs/dbraw/zinc/74/48/29/1074744829.db2.gz PJBWDTJOQIKHAY-GJZGRUSLSA-N 1 2 406.449 0.262 20 0 HCADLO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1CC(F)(F)F ZINC000534983303 1074744998 /nfs/dbraw/zinc/74/49/98/1074744998.db2.gz PJBWDTJOQIKHAY-HUUCEWRRSA-N 1 2 406.449 0.262 20 0 HCADLO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1CC(F)(F)F ZINC000534983304 1074744971 /nfs/dbraw/zinc/74/49/71/1074744971.db2.gz PJBWDTJOQIKHAY-LSDHHAIUSA-N 1 2 406.449 0.262 20 0 HCADLO CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000534989047 1074745232 /nfs/dbraw/zinc/74/52/32/1074745232.db2.gz UQGOZORDTVGQFX-INIZCTEOSA-N 1 2 409.508 0.143 20 0 HCADLO CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000534989048 1074745311 /nfs/dbraw/zinc/74/53/11/1074745311.db2.gz UQGOZORDTVGQFX-MRXNPFEDSA-N 1 2 409.508 0.143 20 0 HCADLO O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535001803 1074744481 /nfs/dbraw/zinc/74/44/81/1074744481.db2.gz OGMMPXYIRKJYPC-CYBMUJFWSA-N 1 2 408.509 0.667 20 0 HCADLO O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535001803 1074744475 /nfs/dbraw/zinc/74/44/75/1074744475.db2.gz OGMMPXYIRKJYPC-CYBMUJFWSA-N 1 2 408.509 0.667 20 0 HCADLO O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535001806 1074744377 /nfs/dbraw/zinc/74/43/77/1074744377.db2.gz OGMMPXYIRKJYPC-ZDUSSCGKSA-N 1 2 408.509 0.667 20 0 HCADLO O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535001806 1074744371 /nfs/dbraw/zinc/74/43/71/1074744371.db2.gz OGMMPXYIRKJYPC-ZDUSSCGKSA-N 1 2 408.509 0.667 20 0 HCADLO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000535010723 1074746860 /nfs/dbraw/zinc/74/68/60/1074746860.db2.gz QBNXNMCBPLQSGA-CHWSQXEVSA-N 1 2 402.451 0.399 20 0 HCADLO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000535010723 1074746854 /nfs/dbraw/zinc/74/68/54/1074746854.db2.gz QBNXNMCBPLQSGA-CHWSQXEVSA-N 1 2 402.451 0.399 20 0 HCADLO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000535010724 1074746929 /nfs/dbraw/zinc/74/69/29/1074746929.db2.gz QBNXNMCBPLQSGA-OLZOCXBDSA-N 1 2 402.451 0.399 20 0 HCADLO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000535010724 1074746918 /nfs/dbraw/zinc/74/69/18/1074746918.db2.gz QBNXNMCBPLQSGA-OLZOCXBDSA-N 1 2 402.451 0.399 20 0 HCADLO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000535010725 1074746724 /nfs/dbraw/zinc/74/67/24/1074746724.db2.gz QBNXNMCBPLQSGA-QWHCGFSZSA-N 1 2 402.451 0.399 20 0 HCADLO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000535010725 1074746713 /nfs/dbraw/zinc/74/67/13/1074746713.db2.gz QBNXNMCBPLQSGA-QWHCGFSZSA-N 1 2 402.451 0.399 20 0 HCADLO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000535010726 1074746632 /nfs/dbraw/zinc/74/66/32/1074746632.db2.gz QBNXNMCBPLQSGA-STQMWFEESA-N 1 2 402.451 0.399 20 0 HCADLO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000535010726 1074746621 /nfs/dbraw/zinc/74/66/21/1074746621.db2.gz QBNXNMCBPLQSGA-STQMWFEESA-N 1 2 402.451 0.399 20 0 HCADLO O=S1(=O)CCC(CNc2cc(NCC3CCS(=O)(=O)CC3)[nH+]cn2)CC1 ZINC000535026443 1074749178 /nfs/dbraw/zinc/74/91/78/1074749178.db2.gz LIGLGJUEDUXLOM-UHFFFAOYSA-N 1 2 402.542 0.950 20 0 HCADLO O=C(CNC(=O)c1ccc(O)cc1)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000535047834 1074749651 /nfs/dbraw/zinc/74/96/51/1074749651.db2.gz ZEACRQMOSAYYPG-OALUTQOASA-N 1 2 422.485 0.837 20 0 HCADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1COc2ccccc21 ZINC000535087598 1074751411 /nfs/dbraw/zinc/75/14/11/1074751411.db2.gz FTLZKVJVGBQNCL-DOTOQJQBSA-N 1 2 413.478 0.835 20 0 HCADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1COc2ccccc21 ZINC000535087603 1074751337 /nfs/dbraw/zinc/75/13/37/1074751337.db2.gz FTLZKVJVGBQNCL-NVXWUHKLSA-N 1 2 413.478 0.835 20 0 HCADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1COc2ccccc21 ZINC000535087606 1074751541 /nfs/dbraw/zinc/75/15/41/1074751541.db2.gz FTLZKVJVGBQNCL-WBVHZDCISA-N 1 2 413.478 0.835 20 0 HCADLO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1COc2ccccc21 ZINC000535088524 1074752941 /nfs/dbraw/zinc/75/29/41/1074752941.db2.gz INNUMXIFEWYXCS-CRAIPNDOSA-N 1 2 413.478 0.835 20 0 HCADLO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1COc2ccccc21 ZINC000535088541 1074752846 /nfs/dbraw/zinc/75/28/46/1074752846.db2.gz INNUMXIFEWYXCS-MAUKXSAKSA-N 1 2 413.478 0.835 20 0 HCADLO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1COc2ccccc21 ZINC000535088543 1074752860 /nfs/dbraw/zinc/75/28/60/1074752860.db2.gz INNUMXIFEWYXCS-QAPCUYQASA-N 1 2 413.478 0.835 20 0 HCADLO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1COc2ccccc21 ZINC000535088544 1074752909 /nfs/dbraw/zinc/75/29/09/1074752909.db2.gz INNUMXIFEWYXCS-YJBOKZPZSA-N 1 2 413.478 0.835 20 0 HCADLO CC(=O)N1CC[C@H](CN(C)C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000535093686 1074754154 /nfs/dbraw/zinc/75/41/54/1074754154.db2.gz FULOIKGPVAFOJT-GOSISDBHSA-N 1 2 401.511 0.837 20 0 HCADLO CC(=O)N1CC[C@@H](CN(C)C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000535093690 1074754128 /nfs/dbraw/zinc/75/41/28/1074754128.db2.gz FULOIKGPVAFOJT-SFHVURJKSA-N 1 2 401.511 0.837 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000535113846 1074754856 /nfs/dbraw/zinc/75/48/56/1074754856.db2.gz XIMBCIOIKJTRBT-KSZLIROESA-N 1 2 417.510 0.618 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000535113847 1074754778 /nfs/dbraw/zinc/75/47/78/1074754778.db2.gz XIMBCIOIKJTRBT-KURKYZTESA-N 1 2 417.510 0.618 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000535113848 1074755190 /nfs/dbraw/zinc/75/51/90/1074755190.db2.gz XIMBCIOIKJTRBT-KZNAEPCWSA-N 1 2 417.510 0.618 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000535113849 1074755124 /nfs/dbraw/zinc/75/51/24/1074755124.db2.gz XIMBCIOIKJTRBT-RCCFBDPRSA-N 1 2 417.510 0.618 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@H]2C1 ZINC000535118860 1074755997 /nfs/dbraw/zinc/75/59/97/1074755997.db2.gz WOUGBLBCDDOUPK-FGTMMUONSA-N 1 2 410.559 0.314 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@H]2C1 ZINC000535118860 1074755991 /nfs/dbraw/zinc/75/59/91/1074755991.db2.gz WOUGBLBCDDOUPK-FGTMMUONSA-N 1 2 410.559 0.314 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000535118864 1074756075 /nfs/dbraw/zinc/75/60/75/1074756075.db2.gz WOUGBLBCDDOUPK-KURKYZTESA-N 1 2 410.559 0.314 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000535118864 1074756068 /nfs/dbraw/zinc/75/60/68/1074756068.db2.gz WOUGBLBCDDOUPK-KURKYZTESA-N 1 2 410.559 0.314 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000535118865 1074755879 /nfs/dbraw/zinc/75/58/79/1074755879.db2.gz WOUGBLBCDDOUPK-KZNAEPCWSA-N 1 2 410.559 0.314 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000535118865 1074755868 /nfs/dbraw/zinc/75/58/68/1074755868.db2.gz WOUGBLBCDDOUPK-KZNAEPCWSA-N 1 2 410.559 0.314 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@H]2C1 ZINC000535118866 1074755769 /nfs/dbraw/zinc/75/57/69/1074755769.db2.gz WOUGBLBCDDOUPK-SQNIBIBYSA-N 1 2 410.559 0.314 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[C@H]2C1 ZINC000535118866 1074755762 /nfs/dbraw/zinc/75/57/62/1074755762.db2.gz WOUGBLBCDDOUPK-SQNIBIBYSA-N 1 2 410.559 0.314 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000535118980 1074756052 /nfs/dbraw/zinc/75/60/52/1074756052.db2.gz YSHLLFCVTYFZIY-BPQIPLTHSA-N 1 2 411.524 0.261 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000535118980 1074756043 /nfs/dbraw/zinc/75/60/43/1074756043.db2.gz YSHLLFCVTYFZIY-BPQIPLTHSA-N 1 2 411.524 0.261 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000535118983 1074755978 /nfs/dbraw/zinc/75/59/78/1074755978.db2.gz YSHLLFCVTYFZIY-KBAYOESNSA-N 1 2 411.524 0.261 20 0 HCADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000535118983 1074755973 /nfs/dbraw/zinc/75/59/73/1074755973.db2.gz YSHLLFCVTYFZIY-KBAYOESNSA-N 1 2 411.524 0.261 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000535118984 1074756025 /nfs/dbraw/zinc/75/60/25/1074756025.db2.gz YSHLLFCVTYFZIY-NJAFHUGGSA-N 1 2 411.524 0.261 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000535118984 1074756015 /nfs/dbraw/zinc/75/60/15/1074756015.db2.gz YSHLLFCVTYFZIY-NJAFHUGGSA-N 1 2 411.524 0.261 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000535118988 1074755840 /nfs/dbraw/zinc/75/58/40/1074755840.db2.gz YSHLLFCVTYFZIY-NXHRZFHOSA-N 1 2 411.524 0.261 20 0 HCADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000535118988 1074755829 /nfs/dbraw/zinc/75/58/29/1074755829.db2.gz YSHLLFCVTYFZIY-NXHRZFHOSA-N 1 2 411.524 0.261 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000535128955 1074757002 /nfs/dbraw/zinc/75/70/02/1074757002.db2.gz KTDYDLSXWNTYEV-HNNXBMFYSA-N 1 2 421.523 0.865 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000535128958 1074757034 /nfs/dbraw/zinc/75/70/34/1074757034.db2.gz KTDYDLSXWNTYEV-OAHLLOKOSA-N 1 2 421.523 0.865 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000535146895 1074759372 /nfs/dbraw/zinc/75/93/72/1074759372.db2.gz FIADHQAUSVSTIS-HNNXBMFYSA-N 1 2 421.523 0.628 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000535146908 1074759447 /nfs/dbraw/zinc/75/94/47/1074759447.db2.gz FIADHQAUSVSTIS-OAHLLOKOSA-N 1 2 421.523 0.628 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000535157204 1074760065 /nfs/dbraw/zinc/76/00/65/1074760065.db2.gz YGWNJLHULRRKQW-UHFFFAOYSA-N 1 2 414.528 0.546 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000535157204 1074760058 /nfs/dbraw/zinc/76/00/58/1074760058.db2.gz YGWNJLHULRRKQW-UHFFFAOYSA-N 1 2 414.528 0.546 20 0 HCADLO O=C(c1cccc(-n2ccnn2)c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000535157527 1074760127 /nfs/dbraw/zinc/76/01/27/1074760127.db2.gz MYONAGWPCJKBEK-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO O=C(c1cccc(-n2ccnn2)c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000535157527 1074760118 /nfs/dbraw/zinc/76/01/18/1074760118.db2.gz MYONAGWPCJKBEK-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO Cc1cnn(Cc2cc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)no2)c1 ZINC000535175741 1074764039 /nfs/dbraw/zinc/76/40/39/1074764039.db2.gz UNWDDKSMFNIWFW-UHFFFAOYSA-N 1 2 400.483 0.998 20 0 HCADLO Cc1cnn(Cc2cc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)no2)c1 ZINC000535175741 1074764034 /nfs/dbraw/zinc/76/40/34/1074764034.db2.gz UNWDDKSMFNIWFW-UHFFFAOYSA-N 1 2 400.483 0.998 20 0 HCADLO CC(C)CSCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000535198755 1074766459 /nfs/dbraw/zinc/76/64/59/1074766459.db2.gz AKUPJQKXOLHKQQ-UHFFFAOYSA-N 1 2 407.606 0.195 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000535201592 1074764946 /nfs/dbraw/zinc/76/49/46/1074764946.db2.gz MEIAEVKGRPLCLM-KBPBESRZSA-N 1 2 417.491 0.437 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000535201593 1074765058 /nfs/dbraw/zinc/76/50/58/1074765058.db2.gz MEIAEVKGRPLCLM-KGLIPLIRSA-N 1 2 417.491 0.437 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000535201594 1074765121 /nfs/dbraw/zinc/76/51/21/1074765121.db2.gz MEIAEVKGRPLCLM-UONOGXRCSA-N 1 2 417.491 0.437 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000535201595 1074764911 /nfs/dbraw/zinc/76/49/11/1074764911.db2.gz MEIAEVKGRPLCLM-ZIAGYGMSSA-N 1 2 417.491 0.437 20 0 HCADLO COc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[NH+](C)CC2)c(OC)c1OC ZINC000535204199 1074765366 /nfs/dbraw/zinc/76/53/66/1074765366.db2.gz DCHOUVNYADYANI-UHFFFAOYSA-N 1 2 417.466 0.670 20 0 HCADLO CC(C)C(=O)NCCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000535219993 1074767891 /nfs/dbraw/zinc/76/78/91/1074767891.db2.gz MHTQDJZQWJRWSD-UHFFFAOYSA-N 1 2 404.515 0.582 20 0 HCADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000535235739 1074769004 /nfs/dbraw/zinc/76/90/04/1074769004.db2.gz AZIBKKAPYOEHCW-CYBMUJFWSA-N 1 2 405.480 0.639 20 0 HCADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000535235746 1074769038 /nfs/dbraw/zinc/76/90/38/1074769038.db2.gz AZIBKKAPYOEHCW-ZDUSSCGKSA-N 1 2 405.480 0.639 20 0 HCADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000535235813 1074768862 /nfs/dbraw/zinc/76/88/62/1074768862.db2.gz AJLCCGLGKZKEIE-CYBMUJFWSA-N 1 2 405.480 0.591 20 0 HCADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000535235822 1074768955 /nfs/dbraw/zinc/76/89/55/1074768955.db2.gz AJLCCGLGKZKEIE-ZDUSSCGKSA-N 1 2 405.480 0.591 20 0 HCADLO CC(C)C(=O)NCCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000535236557 1074769236 /nfs/dbraw/zinc/76/92/36/1074769236.db2.gz DVOWXQZELCYYKT-UHFFFAOYSA-N 1 2 403.527 0.651 20 0 HCADLO CN(c1ccccc1NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000535236745 1074769092 /nfs/dbraw/zinc/76/90/92/1074769092.db2.gz CSAYCMMMEDDUKT-CYBMUJFWSA-N 1 2 405.480 0.771 20 0 HCADLO CN(c1ccccc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000535236750 1074768971 /nfs/dbraw/zinc/76/89/71/1074768971.db2.gz CSAYCMMMEDDUKT-ZDUSSCGKSA-N 1 2 405.480 0.771 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000535237402 1074769407 /nfs/dbraw/zinc/76/94/07/1074769407.db2.gz MJKVIBGVQWESAN-INIZCTEOSA-N 1 2 411.462 0.847 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000535237416 1074769335 /nfs/dbraw/zinc/76/93/35/1074769335.db2.gz MJKVIBGVQWESAN-MRXNPFEDSA-N 1 2 411.462 0.847 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000535237769 1074769486 /nfs/dbraw/zinc/76/94/86/1074769486.db2.gz IPTZOETYBPQVEX-INIZCTEOSA-N 1 2 406.446 0.980 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000535237783 1074769460 /nfs/dbraw/zinc/76/94/60/1074769460.db2.gz IPTZOETYBPQVEX-MRXNPFEDSA-N 1 2 406.446 0.980 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000535237909 1074769362 /nfs/dbraw/zinc/76/93/62/1074769362.db2.gz PKTGYRDNRMSTKE-AWEZNQCLSA-N 1 2 417.491 0.915 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000535237913 1074769280 /nfs/dbraw/zinc/76/92/80/1074769280.db2.gz PKTGYRDNRMSTKE-CQSZACIVSA-N 1 2 417.491 0.915 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000535238150 1074769791 /nfs/dbraw/zinc/76/97/91/1074769791.db2.gz KFWMSRMRJAMWOJ-CYBMUJFWSA-N 1 2 405.480 0.591 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000535238159 1074769726 /nfs/dbraw/zinc/76/97/26/1074769726.db2.gz KFWMSRMRJAMWOJ-ZDUSSCGKSA-N 1 2 405.480 0.591 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000535239715 1074770196 /nfs/dbraw/zinc/77/01/96/1074770196.db2.gz RLFJDAGEYFTIQR-AWEZNQCLSA-N 1 2 413.482 0.630 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000535239721 1074770101 /nfs/dbraw/zinc/77/01/01/1074770101.db2.gz RLFJDAGEYFTIQR-CQSZACIVSA-N 1 2 413.482 0.630 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2n[nH]cc2C1 ZINC000535241950 1074770387 /nfs/dbraw/zinc/77/03/87/1074770387.db2.gz HCVGWDVYKMRNNY-HNNXBMFYSA-N 1 2 418.523 0.178 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2n[nH]cc2C1 ZINC000535241955 1074770531 /nfs/dbraw/zinc/77/05/31/1074770531.db2.gz HCVGWDVYKMRNNY-OAHLLOKOSA-N 1 2 418.523 0.178 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC000535246413 1074771547 /nfs/dbraw/zinc/77/15/47/1074771547.db2.gz KLGYGLQASIWMJE-DOTOQJQBSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC000535246413 1074771536 /nfs/dbraw/zinc/77/15/36/1074771536.db2.gz KLGYGLQASIWMJE-DOTOQJQBSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC000535246430 1074771660 /nfs/dbraw/zinc/77/16/60/1074771660.db2.gz KLGYGLQASIWMJE-NVXWUHKLSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC000535246430 1074771651 /nfs/dbraw/zinc/77/16/51/1074771651.db2.gz KLGYGLQASIWMJE-NVXWUHKLSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC000535246436 1074771442 /nfs/dbraw/zinc/77/14/42/1074771442.db2.gz KLGYGLQASIWMJE-RDJZCZTQSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC000535246436 1074771431 /nfs/dbraw/zinc/77/14/31/1074771431.db2.gz KLGYGLQASIWMJE-RDJZCZTQSA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC000535246440 1074771636 /nfs/dbraw/zinc/77/16/36/1074771636.db2.gz KLGYGLQASIWMJE-WBVHZDCISA-N 1 2 411.510 0.926 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC000535246440 1074771627 /nfs/dbraw/zinc/77/16/27/1074771627.db2.gz KLGYGLQASIWMJE-WBVHZDCISA-N 1 2 411.510 0.926 20 0 HCADLO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535247192 1074771475 /nfs/dbraw/zinc/77/14/75/1074771475.db2.gz OOSJVHMCQJRGCV-UHFFFAOYSA-N 1 2 417.491 0.596 20 0 HCADLO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535259718 1074773499 /nfs/dbraw/zinc/77/34/99/1074773499.db2.gz DMNCHIYBNCWQHE-FQEVSTJZSA-N 1 2 408.506 0.688 20 0 HCADLO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535259726 1074773330 /nfs/dbraw/zinc/77/33/30/1074773330.db2.gz DMNCHIYBNCWQHE-HXUWFJFHSA-N 1 2 408.506 0.688 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000535260179 1074773572 /nfs/dbraw/zinc/77/35/72/1074773572.db2.gz HCDINNZZRHTPKV-GOSISDBHSA-N 1 2 409.494 0.703 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000535260189 1074773539 /nfs/dbraw/zinc/77/35/39/1074773539.db2.gz HCDINNZZRHTPKV-SFHVURJKSA-N 1 2 409.494 0.703 20 0 HCADLO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535260390 1074773695 /nfs/dbraw/zinc/77/36/95/1074773695.db2.gz GBQLRSGKIDTIEQ-CVEARBPZSA-N 1 2 406.556 0.662 20 0 HCADLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535260411 1074773708 /nfs/dbraw/zinc/77/37/08/1074773708.db2.gz GBQLRSGKIDTIEQ-HOTGVXAUSA-N 1 2 406.556 0.662 20 0 HCADLO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535260414 1074773951 /nfs/dbraw/zinc/77/39/51/1074773951.db2.gz GBQLRSGKIDTIEQ-HZPDHXFCSA-N 1 2 406.556 0.662 20 0 HCADLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535260417 1074773882 /nfs/dbraw/zinc/77/38/82/1074773882.db2.gz GBQLRSGKIDTIEQ-JKSUJKDBSA-N 1 2 406.556 0.662 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(CC(F)(F)F)CC1 ZINC000535260569 1074773353 /nfs/dbraw/zinc/77/33/53/1074773353.db2.gz IXVPMFDBEOWKPW-UHFFFAOYSA-N 1 2 401.437 0.488 20 0 HCADLO CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535261537 1074774295 /nfs/dbraw/zinc/77/42/95/1074774295.db2.gz ZVXRCWYBZHBNNY-DLBZAZTESA-N 1 2 403.531 0.545 20 0 HCADLO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535261558 1074774389 /nfs/dbraw/zinc/77/43/89/1074774389.db2.gz ZVXRCWYBZHBNNY-IAGOWNOFSA-N 1 2 403.531 0.545 20 0 HCADLO CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535261559 1074774306 /nfs/dbraw/zinc/77/43/06/1074774306.db2.gz ZVXRCWYBZHBNNY-IRXDYDNUSA-N 1 2 403.531 0.545 20 0 HCADLO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535261562 1074774257 /nfs/dbraw/zinc/77/42/57/1074774257.db2.gz ZVXRCWYBZHBNNY-SJORKVTESA-N 1 2 403.531 0.545 20 0 HCADLO Cc1ccc(C(=O)NCCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000535261826 1074773810 /nfs/dbraw/zinc/77/38/10/1074773810.db2.gz RNRWYHLRQPUNJW-UHFFFAOYSA-N 1 2 411.510 0.636 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCCN(c2cccnn2)CC1 ZINC000535262033 1074773843 /nfs/dbraw/zinc/77/38/43/1074773843.db2.gz QQBNTBVCPDZKDK-UHFFFAOYSA-N 1 2 411.514 0.311 20 0 HCADLO Cc1ccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1S(N)(=O)=O ZINC000535262394 1074774771 /nfs/dbraw/zinc/77/47/71/1074774771.db2.gz UWAUYUMKNQCFMF-UHFFFAOYSA-N 1 2 419.511 0.376 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000535262942 1074774247 /nfs/dbraw/zinc/77/42/47/1074774247.db2.gz RBJJPSNAFZAQQT-KRWDZBQOSA-N 1 2 418.567 0.807 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000535262947 1074774418 /nfs/dbraw/zinc/77/44/18/1074774418.db2.gz RBJJPSNAFZAQQT-QGZVFWFLSA-N 1 2 418.567 0.807 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000535263064 1074774282 /nfs/dbraw/zinc/77/42/82/1074774282.db2.gz ZRKIPFATWMTHMQ-GOSISDBHSA-N 1 2 422.489 0.234 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000535263073 1074774234 /nfs/dbraw/zinc/77/42/34/1074774234.db2.gz ZRKIPFATWMTHMQ-SFHVURJKSA-N 1 2 422.489 0.234 20 0 HCADLO CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535263870 1074774909 /nfs/dbraw/zinc/77/49/09/1074774909.db2.gz CEFYSYPHIPXJFI-INIZCTEOSA-N 1 2 405.547 0.837 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCN(c2ncccc2F)C1 ZINC000535264701 1074774925 /nfs/dbraw/zinc/77/49/25/1074774925.db2.gz QROUIARSWDEGCL-INIZCTEOSA-N 1 2 414.489 0.711 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000535264710 1074775148 /nfs/dbraw/zinc/77/51/48/1074775148.db2.gz QROUIARSWDEGCL-MRXNPFEDSA-N 1 2 414.489 0.711 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1cnn(CC(F)(F)F)c1 ZINC000535264959 1074774986 /nfs/dbraw/zinc/77/49/86/1074774986.db2.gz QRFRWWLFTSPTJA-UHFFFAOYSA-N 1 2 412.420 0.857 20 0 HCADLO Cn1cnc2c1c(=O)n(CCCN1CC[NH+](Cc3ccsc3)CC1)c(=O)n2C ZINC000535265773 1074775126 /nfs/dbraw/zinc/77/51/26/1074775126.db2.gz VEVKJHUUGVTYJZ-UHFFFAOYSA-N 1 2 402.524 0.703 20 0 HCADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535276908 1074780614 /nfs/dbraw/zinc/78/06/14/1074780614.db2.gz PDTNWMAYTMDJNO-GOSISDBHSA-N 1 2 424.457 0.831 20 0 HCADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535276908 1074780608 /nfs/dbraw/zinc/78/06/08/1074780608.db2.gz PDTNWMAYTMDJNO-GOSISDBHSA-N 1 2 424.457 0.831 20 0 HCADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535276922 1074780732 /nfs/dbraw/zinc/78/07/32/1074780732.db2.gz PDTNWMAYTMDJNO-SFHVURJKSA-N 1 2 424.457 0.831 20 0 HCADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535276922 1074780729 /nfs/dbraw/zinc/78/07/29/1074780729.db2.gz PDTNWMAYTMDJNO-SFHVURJKSA-N 1 2 424.457 0.831 20 0 HCADLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC1(O)CCS(=O)(=O)CC1 ZINC000535277974 1074780952 /nfs/dbraw/zinc/78/09/52/1074780952.db2.gz YMCLUJSCIFTINH-UHFFFAOYSA-N 1 2 405.538 0.731 20 0 HCADLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC1(O)CCS(=O)(=O)CC1 ZINC000535277974 1074780946 /nfs/dbraw/zinc/78/09/46/1074780946.db2.gz YMCLUJSCIFTINH-UHFFFAOYSA-N 1 2 405.538 0.731 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC(OCCO)CC3)cc2)CC1 ZINC000535278645 1074780899 /nfs/dbraw/zinc/78/08/99/1074780899.db2.gz VNTSFDPNUXGCMB-UHFFFAOYSA-N 1 2 418.538 0.763 20 0 HCADLO O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535285382 1074778512 /nfs/dbraw/zinc/77/85/12/1074778512.db2.gz YDRUCCFNTBTKEH-UHFFFAOYSA-N 1 2 408.418 0.208 20 0 HCADLO COc1cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)ccc1S(=O)(=O)N(C)C ZINC000535286129 1074778241 /nfs/dbraw/zinc/77/82/41/1074778241.db2.gz YKYOKGKXCMXYCA-UHFFFAOYSA-N 1 2 423.495 0.629 20 0 HCADLO Cn1c2cccc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)c2oc1=O ZINC000535286362 1074778877 /nfs/dbraw/zinc/77/88/77/1074778877.db2.gz NIOBPHROOLSQBC-UHFFFAOYSA-N 1 2 409.446 0.995 20 0 HCADLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000535287123 1074778597 /nfs/dbraw/zinc/77/85/97/1074778597.db2.gz CHTGMKZYEUAURM-CWPLJXCYSA-N 1 2 417.514 0.169 20 0 HCADLO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000535287132 1074778615 /nfs/dbraw/zinc/77/86/15/1074778615.db2.gz CHTGMKZYEUAURM-HOTGVXAUSA-N 1 2 417.514 0.169 20 0 HCADLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000535287137 1074778550 /nfs/dbraw/zinc/77/85/50/1074778550.db2.gz CHTGMKZYEUAURM-HZPDHXFCSA-N 1 2 417.514 0.169 20 0 HCADLO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000535288919 1074779104 /nfs/dbraw/zinc/77/91/04/1074779104.db2.gz PIFFJCUAJXPOJR-CABCVRRESA-N 1 2 401.916 0.674 20 0 HCADLO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000535288924 1074779309 /nfs/dbraw/zinc/77/93/09/1074779309.db2.gz PIFFJCUAJXPOJR-GJZGRUSLSA-N 1 2 401.916 0.674 20 0 HCADLO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000535288925 1074779169 /nfs/dbraw/zinc/77/91/69/1074779169.db2.gz PIFFJCUAJXPOJR-HUUCEWRRSA-N 1 2 401.916 0.674 20 0 HCADLO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000535288926 1074779118 /nfs/dbraw/zinc/77/91/18/1074779118.db2.gz PIFFJCUAJXPOJR-LSDHHAIUSA-N 1 2 401.916 0.674 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(=O)[nH]c1=O ZINC000535292339 1074779703 /nfs/dbraw/zinc/77/97/03/1074779703.db2.gz FTAAVIGSJHPNDY-DZGCQCFKSA-N 1 2 417.510 0.845 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(=O)[nH]c1=O ZINC000535292339 1074779697 /nfs/dbraw/zinc/77/96/97/1074779697.db2.gz FTAAVIGSJHPNDY-DZGCQCFKSA-N 1 2 417.510 0.845 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c(=O)[nH]c1=O ZINC000535292356 1074779469 /nfs/dbraw/zinc/77/94/69/1074779469.db2.gz FTAAVIGSJHPNDY-HIFRSBDPSA-N 1 2 417.510 0.845 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c(=O)[nH]c1=O ZINC000535292356 1074779461 /nfs/dbraw/zinc/77/94/61/1074779461.db2.gz FTAAVIGSJHPNDY-HIFRSBDPSA-N 1 2 417.510 0.845 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(=O)[nH]c1=O ZINC000535292358 1074779605 /nfs/dbraw/zinc/77/96/05/1074779605.db2.gz FTAAVIGSJHPNDY-UKRRQHHQSA-N 1 2 417.510 0.845 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(=O)[nH]c1=O ZINC000535292358 1074779593 /nfs/dbraw/zinc/77/95/93/1074779593.db2.gz FTAAVIGSJHPNDY-UKRRQHHQSA-N 1 2 417.510 0.845 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(=O)[nH]c1=O ZINC000535292362 1074779636 /nfs/dbraw/zinc/77/96/36/1074779636.db2.gz FTAAVIGSJHPNDY-ZFWWWQNUSA-N 1 2 417.510 0.845 20 0 HCADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(=O)[nH]c1=O ZINC000535292362 1074779625 /nfs/dbraw/zinc/77/96/25/1074779625.db2.gz FTAAVIGSJHPNDY-ZFWWWQNUSA-N 1 2 417.510 0.845 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3C(=O)NC4(C[C@H](C)C[C@@H](C)C4)C3=O)C2)CC1 ZINC000535298348 1074782953 /nfs/dbraw/zinc/78/29/53/1074782953.db2.gz KFNZHBMAJOJTLJ-KZNAEPCWSA-N 1 2 419.570 0.972 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3C(=O)NC4(C[C@@H](C)C[C@H](C)C4)C3=O)C2)CC1 ZINC000535298358 1074782990 /nfs/dbraw/zinc/78/29/90/1074782990.db2.gz KFNZHBMAJOJTLJ-OKZBNKHCSA-N 1 2 419.570 0.972 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)C[C@H](C)C4)C3=O)C2)CC1 ZINC000535298363 1074782914 /nfs/dbraw/zinc/78/29/14/1074782914.db2.gz KFNZHBMAJOJTLJ-SUWCGCSTSA-N 1 2 419.570 0.972 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)C[C@H](C)C4)C3=O)C2)CC1 ZINC000535298367 1074783048 /nfs/dbraw/zinc/78/30/48/1074783048.db2.gz KFNZHBMAJOJTLJ-WYADAEROSA-N 1 2 419.570 0.972 20 0 HCADLO CCN1CC[NH+](Cc2ccc(CNC(=O)c3coc(S(N)(=O)=O)c3)cc2)CC1 ZINC000535317294 1074787704 /nfs/dbraw/zinc/78/77/04/1074787704.db2.gz DUGLFOXKUOETGU-UHFFFAOYSA-N 1 2 406.508 0.995 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000535318353 1074787998 /nfs/dbraw/zinc/78/79/98/1074787998.db2.gz PKMNXBSRSUGNNE-HNNXBMFYSA-N 1 2 400.449 0.989 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000535318374 1074788150 /nfs/dbraw/zinc/78/81/50/1074788150.db2.gz PKMNXBSRSUGNNE-OAHLLOKOSA-N 1 2 400.449 0.989 20 0 HCADLO COc1cc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1S(=O)(=O)N(C)C ZINC000535324963 1074785114 /nfs/dbraw/zinc/78/51/14/1074785114.db2.gz DUTSQKHHQURQTQ-AWEZNQCLSA-N 1 2 413.544 0.703 20 0 HCADLO COc1cc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)ccc1S(=O)(=O)N(C)C ZINC000535324984 1074785151 /nfs/dbraw/zinc/78/51/51/1074785151.db2.gz DUTSQKHHQURQTQ-CQSZACIVSA-N 1 2 413.544 0.703 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)CC)CC3)C2)CC1 ZINC000535330026 1074785894 /nfs/dbraw/zinc/78/58/94/1074785894.db2.gz LSAOYJXLNGHSAH-KRWDZBQOSA-N 1 2 401.577 0.222 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)CC)CC3)C2)CC1 ZINC000535330039 1074786004 /nfs/dbraw/zinc/78/60/04/1074786004.db2.gz LSAOYJXLNGHSAH-QGZVFWFLSA-N 1 2 401.577 0.222 20 0 HCADLO COC(=O)c1cc(F)ccc1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000535331917 1074786274 /nfs/dbraw/zinc/78/62/74/1074786274.db2.gz ITDDVVKGAQTYID-UHFFFAOYSA-N 1 2 401.460 0.397 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 ZINC000535344481 1074790104 /nfs/dbraw/zinc/79/01/04/1074790104.db2.gz KDAPAHAEDSUMSH-UHFFFAOYSA-N 1 2 423.477 0.935 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1S(C)(=O)=O ZINC000535345003 1074790088 /nfs/dbraw/zinc/79/00/88/1074790088.db2.gz LICOUAKVGMOBDE-INIZCTEOSA-N 1 2 411.524 0.810 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1S(C)(=O)=O ZINC000535345014 1074789969 /nfs/dbraw/zinc/78/99/69/1074789969.db2.gz LICOUAKVGMOBDE-MRXNPFEDSA-N 1 2 411.524 0.810 20 0 HCADLO Cc1c(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cnn1C ZINC000535356452 1074792426 /nfs/dbraw/zinc/79/24/26/1074792426.db2.gz SSOJOVHJJFHINT-UHFFFAOYSA-N 1 2 400.487 0.387 20 0 HCADLO Cc1c(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cnn1C ZINC000535356452 1074792420 /nfs/dbraw/zinc/79/24/20/1074792420.db2.gz SSOJOVHJJFHINT-UHFFFAOYSA-N 1 2 400.487 0.387 20 0 HCADLO COc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000535360012 1074793084 /nfs/dbraw/zinc/79/30/84/1074793084.db2.gz MDHZCBHBGURLTM-UHFFFAOYSA-N 1 2 416.931 0.599 20 0 HCADLO Cc1c(CCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cnn1C ZINC000535360135 1074792798 /nfs/dbraw/zinc/79/27/98/1074792798.db2.gz RYFXFGXYOFHNBX-UHFFFAOYSA-N 1 2 420.539 0.324 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000535379958 1074796704 /nfs/dbraw/zinc/79/67/04/1074796704.db2.gz NIZWDBREUIJIIM-DOTOQJQBSA-N 1 2 408.524 0.037 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000535379958 1074796698 /nfs/dbraw/zinc/79/66/98/1074796698.db2.gz NIZWDBREUIJIIM-DOTOQJQBSA-N 1 2 408.524 0.037 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000535379959 1074796757 /nfs/dbraw/zinc/79/67/57/1074796757.db2.gz NIZWDBREUIJIIM-NVXWUHKLSA-N 1 2 408.524 0.037 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000535379959 1074796754 /nfs/dbraw/zinc/79/67/54/1074796754.db2.gz NIZWDBREUIJIIM-NVXWUHKLSA-N 1 2 408.524 0.037 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000535379960 1074796722 /nfs/dbraw/zinc/79/67/22/1074796722.db2.gz NIZWDBREUIJIIM-RDJZCZTQSA-N 1 2 408.524 0.037 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000535379960 1074796717 /nfs/dbraw/zinc/79/67/17/1074796717.db2.gz NIZWDBREUIJIIM-RDJZCZTQSA-N 1 2 408.524 0.037 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000535379961 1074796769 /nfs/dbraw/zinc/79/67/69/1074796769.db2.gz NIZWDBREUIJIIM-WBVHZDCISA-N 1 2 408.524 0.037 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000535379961 1074796766 /nfs/dbraw/zinc/79/67/66/1074796766.db2.gz NIZWDBREUIJIIM-WBVHZDCISA-N 1 2 408.524 0.037 20 0 HCADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)c1 ZINC000535388397 1074798503 /nfs/dbraw/zinc/79/85/03/1074798503.db2.gz VTLGMMCVJPKIMU-UHFFFAOYSA-N 1 2 401.529 0.578 20 0 HCADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)CC(C)(CO)CO)c1 ZINC000535388397 1074798489 /nfs/dbraw/zinc/79/84/89/1074798489.db2.gz VTLGMMCVJPKIMU-UHFFFAOYSA-N 1 2 401.529 0.578 20 0 HCADLO CNC(=O)c1cccc(OCC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000535390179 1074798559 /nfs/dbraw/zinc/79/85/59/1074798559.db2.gz QQUQERIYJROWRU-UHFFFAOYSA-N 1 2 410.474 0.868 20 0 HCADLO CNC(=O)c1cccc(OCC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000535396614 1074799020 /nfs/dbraw/zinc/79/90/20/1074799020.db2.gz AWOHVADNRBEMHW-UHFFFAOYSA-N 1 2 402.495 0.582 20 0 HCADLO CNC(=O)c1cccc(OCC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000535396614 1074799013 /nfs/dbraw/zinc/79/90/13/1074799013.db2.gz AWOHVADNRBEMHW-UHFFFAOYSA-N 1 2 402.495 0.582 20 0 HCADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1 ZINC000535422126 1074801552 /nfs/dbraw/zinc/80/15/52/1074801552.db2.gz HQXAZSABVNALAH-KRWDZBQOSA-N 1 2 416.478 0.410 20 0 HCADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1 ZINC000535422127 1074801670 /nfs/dbraw/zinc/80/16/70/1074801670.db2.gz HQXAZSABVNALAH-QGZVFWFLSA-N 1 2 416.478 0.410 20 0 HCADLO C[C@H](CO)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000535425519 1074802034 /nfs/dbraw/zinc/80/20/34/1074802034.db2.gz ARUABBALVBEYED-DLBZAZTESA-N 1 2 406.531 0.990 20 0 HCADLO C[C@H](CO)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000535425519 1074802033 /nfs/dbraw/zinc/80/20/33/1074802033.db2.gz ARUABBALVBEYED-DLBZAZTESA-N 1 2 406.531 0.990 20 0 HCADLO C[C@@H](CO)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000535425520 1074801977 /nfs/dbraw/zinc/80/19/77/1074801977.db2.gz ARUABBALVBEYED-IAGOWNOFSA-N 1 2 406.531 0.990 20 0 HCADLO C[C@@H](CO)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000535425520 1074801973 /nfs/dbraw/zinc/80/19/73/1074801973.db2.gz ARUABBALVBEYED-IAGOWNOFSA-N 1 2 406.531 0.990 20 0 HCADLO C[C@H](CO)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000535425521 1074802023 /nfs/dbraw/zinc/80/20/23/1074802023.db2.gz ARUABBALVBEYED-IRXDYDNUSA-N 1 2 406.531 0.990 20 0 HCADLO C[C@H](CO)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000535425521 1074802019 /nfs/dbraw/zinc/80/20/19/1074802019.db2.gz ARUABBALVBEYED-IRXDYDNUSA-N 1 2 406.531 0.990 20 0 HCADLO C[C@@H](CO)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000535425522 1074802063 /nfs/dbraw/zinc/80/20/63/1074802063.db2.gz ARUABBALVBEYED-SJORKVTESA-N 1 2 406.531 0.990 20 0 HCADLO C[C@@H](CO)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000535425522 1074802061 /nfs/dbraw/zinc/80/20/61/1074802061.db2.gz ARUABBALVBEYED-SJORKVTESA-N 1 2 406.531 0.990 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000535439309 1074805412 /nfs/dbraw/zinc/80/54/12/1074805412.db2.gz AUZHJBUVSIDWBN-AWEZNQCLSA-N 1 2 424.299 0.795 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000535439322 1074805416 /nfs/dbraw/zinc/80/54/16/1074805416.db2.gz AUZHJBUVSIDWBN-CQSZACIVSA-N 1 2 424.299 0.795 20 0 HCADLO COCC1(O)CC[NH+](CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000535441078 1074805620 /nfs/dbraw/zinc/80/56/20/1074805620.db2.gz HIMMUVXLDUOTBG-UHFFFAOYSA-N 1 2 415.512 0.357 20 0 HCADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000535455358 1074806382 /nfs/dbraw/zinc/80/63/82/1074806382.db2.gz ZNEMVBQEYLSQIM-DOTOQJQBSA-N 1 2 422.507 0.748 20 0 HCADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000535455358 1074806381 /nfs/dbraw/zinc/80/63/81/1074806381.db2.gz ZNEMVBQEYLSQIM-DOTOQJQBSA-N 1 2 422.507 0.748 20 0 HCADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000535455359 1074806472 /nfs/dbraw/zinc/80/64/72/1074806472.db2.gz ZNEMVBQEYLSQIM-NVXWUHKLSA-N 1 2 422.507 0.748 20 0 HCADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000535455359 1074806467 /nfs/dbraw/zinc/80/64/67/1074806467.db2.gz ZNEMVBQEYLSQIM-NVXWUHKLSA-N 1 2 422.507 0.748 20 0 HCADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000535455360 1074806348 /nfs/dbraw/zinc/80/63/48/1074806348.db2.gz ZNEMVBQEYLSQIM-RDJZCZTQSA-N 1 2 422.507 0.748 20 0 HCADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000535455360 1074806343 /nfs/dbraw/zinc/80/63/43/1074806343.db2.gz ZNEMVBQEYLSQIM-RDJZCZTQSA-N 1 2 422.507 0.748 20 0 HCADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000535455361 1074806447 /nfs/dbraw/zinc/80/64/47/1074806447.db2.gz ZNEMVBQEYLSQIM-WBVHZDCISA-N 1 2 422.507 0.748 20 0 HCADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000535455361 1074806441 /nfs/dbraw/zinc/80/64/41/1074806441.db2.gz ZNEMVBQEYLSQIM-WBVHZDCISA-N 1 2 422.507 0.748 20 0 HCADLO O=C(Cn1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cn1)N1CCOCC1 ZINC000535461860 1074807898 /nfs/dbraw/zinc/80/78/98/1074807898.db2.gz FUIXPRPLSRPZBL-KRWDZBQOSA-N 1 2 406.487 0.070 20 0 HCADLO O=C(Cn1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cn1)N1CCOCC1 ZINC000535461861 1074807970 /nfs/dbraw/zinc/80/79/70/1074807970.db2.gz FUIXPRPLSRPZBL-QGZVFWFLSA-N 1 2 406.487 0.070 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cnc3c(c2=O)CCCC3)CC1 ZINC000535508229 1074812220 /nfs/dbraw/zinc/81/22/20/1074812220.db2.gz RLKRWQBCUFYVHU-UHFFFAOYSA-N 1 2 408.466 0.148 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cnc(C3CCC3)cc2=O)CC1 ZINC000535508347 1074812197 /nfs/dbraw/zinc/81/21/97/1074812197.db2.gz XYHXVFNPFCKGNH-UHFFFAOYSA-N 1 2 408.466 0.536 20 0 HCADLO O=C(c1ccc(-n2ccnn2)cc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000535527518 1074815150 /nfs/dbraw/zinc/81/51/50/1074815150.db2.gz CDFXJKQAQQVCPP-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO O=C(c1ccc(-n2ccnn2)cc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000535527518 1074815148 /nfs/dbraw/zinc/81/51/48/1074815148.db2.gz CDFXJKQAQQVCPP-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535528512 1074815491 /nfs/dbraw/zinc/81/54/91/1074815491.db2.gz LNBGJGNPVGIIBA-CABCVRRESA-N 1 2 409.961 0.944 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535528512 1074815484 /nfs/dbraw/zinc/81/54/84/1074815484.db2.gz LNBGJGNPVGIIBA-CABCVRRESA-N 1 2 409.961 0.944 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535528587 1074815140 /nfs/dbraw/zinc/81/51/40/1074815140.db2.gz LNBGJGNPVGIIBA-GJZGRUSLSA-N 1 2 409.961 0.944 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535528587 1074815137 /nfs/dbraw/zinc/81/51/37/1074815137.db2.gz LNBGJGNPVGIIBA-GJZGRUSLSA-N 1 2 409.961 0.944 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535528590 1074815116 /nfs/dbraw/zinc/81/51/16/1074815116.db2.gz LNBGJGNPVGIIBA-HUUCEWRRSA-N 1 2 409.961 0.944 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535528590 1074815113 /nfs/dbraw/zinc/81/51/13/1074815113.db2.gz LNBGJGNPVGIIBA-HUUCEWRRSA-N 1 2 409.961 0.944 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535528593 1074815368 /nfs/dbraw/zinc/81/53/68/1074815368.db2.gz LNBGJGNPVGIIBA-LSDHHAIUSA-N 1 2 409.961 0.944 20 0 HCADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535528593 1074815361 /nfs/dbraw/zinc/81/53/61/1074815361.db2.gz LNBGJGNPVGIIBA-LSDHHAIUSA-N 1 2 409.961 0.944 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C ZINC000535537773 1074817001 /nfs/dbraw/zinc/81/70/01/1074817001.db2.gz VHWLIVNSDRGSQS-HOTGVXAUSA-N 1 2 401.402 0.528 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C ZINC000535537773 1074817000 /nfs/dbraw/zinc/81/70/00/1074817000.db2.gz VHWLIVNSDRGSQS-HOTGVXAUSA-N 1 2 401.402 0.528 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C ZINC000535537816 1074816542 /nfs/dbraw/zinc/81/65/42/1074816542.db2.gz VHWLIVNSDRGSQS-JKSUJKDBSA-N 1 2 401.402 0.528 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C ZINC000535537816 1074816537 /nfs/dbraw/zinc/81/65/37/1074816537.db2.gz VHWLIVNSDRGSQS-JKSUJKDBSA-N 1 2 401.402 0.528 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC000535541193 1074816982 /nfs/dbraw/zinc/81/69/82/1074816982.db2.gz BYLBEAZJKKMVQO-AWEZNQCLSA-N 1 2 424.479 0.619 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC000535541193 1074816981 /nfs/dbraw/zinc/81/69/81/1074816981.db2.gz BYLBEAZJKKMVQO-AWEZNQCLSA-N 1 2 424.479 0.619 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000535541806 1074815858 /nfs/dbraw/zinc/81/58/58/1074815858.db2.gz ILKNGINZZMIYTB-SFHVURJKSA-N 1 2 414.462 0.928 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000535541806 1074815856 /nfs/dbraw/zinc/81/58/56/1074815856.db2.gz ILKNGINZZMIYTB-SFHVURJKSA-N 1 2 414.462 0.928 20 0 HCADLO CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)CC1 ZINC000535543028 1074816963 /nfs/dbraw/zinc/81/69/63/1074816963.db2.gz XQMNAQSRCBTJQC-HNNXBMFYSA-N 1 2 400.501 0.452 20 0 HCADLO CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)CC1 ZINC000535543028 1074816960 /nfs/dbraw/zinc/81/69/60/1074816960.db2.gz XQMNAQSRCBTJQC-HNNXBMFYSA-N 1 2 400.501 0.452 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CSc1nncn1-c1ccc(OC)cc1 ZINC000535544111 1074817372 /nfs/dbraw/zinc/81/73/72/1074817372.db2.gz XEFIPNSDDOYFMA-HNNXBMFYSA-N 1 2 416.463 0.992 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CSc1nncn1-c1ccc(OC)cc1 ZINC000535544111 1074817350 /nfs/dbraw/zinc/81/73/50/1074817350.db2.gz XEFIPNSDDOYFMA-HNNXBMFYSA-N 1 2 416.463 0.992 20 0 HCADLO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000535545594 1074818503 /nfs/dbraw/zinc/81/85/03/1074818503.db2.gz KZWHHIAXRJOANT-UHFFFAOYSA-N 1 2 407.434 0.781 20 0 HCADLO Cc1cc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)n(-c2ccc(F)cc2)n1 ZINC000535545955 1074818066 /nfs/dbraw/zinc/81/80/66/1074818066.db2.gz PWQSPVDFWPNCMC-UHFFFAOYSA-N 1 2 400.414 0.932 20 0 HCADLO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)CC2)c1 ZINC000535549911 1074820334 /nfs/dbraw/zinc/82/03/34/1074820334.db2.gz REEBDFIYBATTQM-UHFFFAOYSA-N 1 2 423.433 0.353 20 0 HCADLO O=C(NCCc1nc2c(s1)CCCC2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000535564983 1075303681 /nfs/dbraw/zinc/30/36/81/1075303681.db2.gz QLAHAIDFNMATOC-HNNXBMFYSA-N 1 2 406.552 0.861 20 0 HCADLO O=C(NCCc1nc2c(s1)CCCC2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000535564984 1075303667 /nfs/dbraw/zinc/30/36/67/1075303667.db2.gz QLAHAIDFNMATOC-OAHLLOKOSA-N 1 2 406.552 0.861 20 0 HCADLO CC[C@]1(C)COCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000535565472 1075302989 /nfs/dbraw/zinc/30/29/89/1075302989.db2.gz AZAULSUILDFHAW-GOSISDBHSA-N 1 2 414.528 0.625 20 0 HCADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000535565472 1075302985 /nfs/dbraw/zinc/30/29/85/1075302985.db2.gz AZAULSUILDFHAW-GOSISDBHSA-N 1 2 414.528 0.625 20 0 HCADLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000535566369 1075092216 /nfs/dbraw/zinc/09/22/16/1075092216.db2.gz MKJTUSWIRTXBLZ-UHFFFAOYSA-N 1 2 416.417 0.065 20 0 HCADLO CN1C(=O)NC2(CC[NH+](CC(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2)C1=O ZINC000535567847 1075093979 /nfs/dbraw/zinc/09/39/79/1075093979.db2.gz VSKYLFYNFJYBEF-UHFFFAOYSA-N 1 2 417.857 0.875 20 0 HCADLO O=C(CN1CCC(Nc2cccc[nH+]2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000535572303 1075095132 /nfs/dbraw/zinc/09/51/32/1075095132.db2.gz YSTDLFVIVGFKIY-GOSISDBHSA-N 1 2 421.567 0.289 20 0 HCADLO O=C(CN1CCC(Nc2cccc[nH+]2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000535572304 1075095178 /nfs/dbraw/zinc/09/51/78/1075095178.db2.gz YSTDLFVIVGFKIY-SFHVURJKSA-N 1 2 421.567 0.289 20 0 HCADLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000535574658 1075307609 /nfs/dbraw/zinc/30/76/09/1075307609.db2.gz IFXYFRSNUXPKAU-HNNXBMFYSA-N 1 2 424.523 0.581 20 0 HCADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000535574658 1075307604 /nfs/dbraw/zinc/30/76/04/1075307604.db2.gz IFXYFRSNUXPKAU-HNNXBMFYSA-N 1 2 424.523 0.581 20 0 HCADLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000535574663 1075307507 /nfs/dbraw/zinc/30/75/07/1075307507.db2.gz IFXYFRSNUXPKAU-OAHLLOKOSA-N 1 2 424.523 0.581 20 0 HCADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000535574663 1075307501 /nfs/dbraw/zinc/30/75/01/1075307501.db2.gz IFXYFRSNUXPKAU-OAHLLOKOSA-N 1 2 424.523 0.581 20 0 HCADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000535574930 1075307140 /nfs/dbraw/zinc/30/71/40/1075307140.db2.gz DREXNUYUNMVLIH-GOSISDBHSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000535574930 1075307136 /nfs/dbraw/zinc/30/71/36/1075307136.db2.gz DREXNUYUNMVLIH-GOSISDBHSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000535574933 1075307063 /nfs/dbraw/zinc/30/70/63/1075307063.db2.gz DREXNUYUNMVLIH-SFHVURJKSA-N 1 2 411.499 0.769 20 0 HCADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000535574933 1075307060 /nfs/dbraw/zinc/30/70/60/1075307060.db2.gz DREXNUYUNMVLIH-SFHVURJKSA-N 1 2 411.499 0.769 20 0 HCADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000535578054 1075303988 /nfs/dbraw/zinc/30/39/88/1075303988.db2.gz ANIGFYHSXKRMGJ-UHFFFAOYSA-N 1 2 408.465 0.435 20 0 HCADLO NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000535581337 1075304852 /nfs/dbraw/zinc/30/48/52/1075304852.db2.gz ZTLIFUOHYYPMSO-UHFFFAOYSA-N 1 2 409.430 0.382 20 0 HCADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)c(OC)c1 ZINC000535584649 1075306066 /nfs/dbraw/zinc/30/60/66/1075306066.db2.gz SDXSWTABWZTUOS-UHFFFAOYSA-N 1 2 423.582 0.784 20 0 HCADLO NS(=O)(=O)CC1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000535588851 1075310162 /nfs/dbraw/zinc/31/01/62/1075310162.db2.gz GOBXGARTKLKEHO-UHFFFAOYSA-N 1 2 410.540 0.458 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000535589118 1075310130 /nfs/dbraw/zinc/31/01/30/1075310130.db2.gz AKENWAUCUQJXID-KRWDZBQOSA-N 1 2 422.507 0.121 20 0 HCADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000535589122 1075310157 /nfs/dbraw/zinc/31/01/57/1075310157.db2.gz AKENWAUCUQJXID-QGZVFWFLSA-N 1 2 422.507 0.121 20 0 HCADLO COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(CS(N)(=O)=O)CC2)c1 ZINC000535589173 1075310170 /nfs/dbraw/zinc/31/01/70/1075310170.db2.gz CLNRALACFDVDGJ-UHFFFAOYSA-N 1 2 412.512 0.093 20 0 HCADLO COc1cc(OC)c(OC)cc1CNC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000535589562 1075310549 /nfs/dbraw/zinc/31/05/49/1075310549.db2.gz PLAJMICOWNECRN-UHFFFAOYSA-N 1 2 415.512 0.329 20 0 HCADLO CSc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000535589682 1075311046 /nfs/dbraw/zinc/31/10/46/1075311046.db2.gz QODAEVFJBMNGCO-UHFFFAOYSA-N 1 2 414.553 0.558 20 0 HCADLO NC(=O)CCN(C(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1)c1ccc(F)cc1 ZINC000535590111 1075310510 /nfs/dbraw/zinc/31/05/10/1075310510.db2.gz JAQAEHJDXBJBHV-UHFFFAOYSA-N 1 2 400.476 0.035 20 0 HCADLO Cc1cc(N2CCN(C(=O)C[NH+]3CCC(S(N)(=O)=O)CC3)CC2)nc(C(C)C)n1 ZINC000535590112 1075310573 /nfs/dbraw/zinc/31/05/73/1075310573.db2.gz HVVCIRWCFFBFHL-UHFFFAOYSA-N 1 2 424.571 0.310 20 0 HCADLO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000535590238 1075310425 /nfs/dbraw/zinc/31/04/25/1075310425.db2.gz NFJPCDBCCCPNLK-SECBINFHSA-N 1 2 422.429 0.300 20 0 HCADLO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000535590241 1075310438 /nfs/dbraw/zinc/31/04/38/1075310438.db2.gz NFJPCDBCCCPNLK-VIFPVBQESA-N 1 2 422.429 0.300 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH+]2CCC(CS(N)(=O)=O)CC2)cc1 ZINC000535590309 1075310451 /nfs/dbraw/zinc/31/04/51/1075310451.db2.gz QJDBLCQWPDFPDO-UHFFFAOYSA-N 1 2 417.553 0.809 20 0 HCADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000535590318 1075310531 /nfs/dbraw/zinc/31/05/31/1075310531.db2.gz QLZAWYBANKATMO-UHFFFAOYSA-N 1 2 412.556 0.782 20 0 HCADLO COc1cc(OC)c(OC)cc1CNC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000535590503 1075310565 /nfs/dbraw/zinc/31/05/65/1075310565.db2.gz WQSFXXKSRZRWDU-UHFFFAOYSA-N 1 2 401.485 0.082 20 0 HCADLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000535590530 1075310471 /nfs/dbraw/zinc/31/04/71/1075310471.db2.gz YOXIQBGYLWCLTP-UHFFFAOYSA-N 1 2 402.904 0.490 20 0 HCADLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000535590563 1075311010 /nfs/dbraw/zinc/31/10/10/1075311010.db2.gz ZTISYELHEXUNGQ-UHFFFAOYSA-N 1 2 405.524 0.858 20 0 HCADLO CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000539409046 1075312628 /nfs/dbraw/zinc/31/26/28/1075312628.db2.gz QXFOJBUVDQBTJS-IBGZPJMESA-N 1 2 424.567 0.825 20 0 HCADLO CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000539409052 1075312603 /nfs/dbraw/zinc/31/26/03/1075312603.db2.gz QXFOJBUVDQBTJS-LJQANCHMSA-N 1 2 424.567 0.825 20 0 HCADLO CN(CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000539431441 1075321447 /nfs/dbraw/zinc/32/14/47/1075321447.db2.gz IPOWUHFIKPNIEY-UHFFFAOYSA-N 1 2 424.505 0.660 20 0 HCADLO COc1ccc(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000539431568 1075321493 /nfs/dbraw/zinc/32/14/93/1075321493.db2.gz OVEZNDWRTNQJMZ-UHFFFAOYSA-N 1 2 411.462 0.733 20 0 HCADLO COc1ccc(C(=O)NCCN2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000539451023 1075326998 /nfs/dbraw/zinc/32/69/98/1075326998.db2.gz OUBPZDOKDMWOGK-OYRHEFFESA-N 1 2 402.539 0.906 20 0 HCADLO COc1ccc(C(=O)NCCN2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000539451023 1075326994 /nfs/dbraw/zinc/32/69/94/1075326994.db2.gz OUBPZDOKDMWOGK-OYRHEFFESA-N 1 2 402.539 0.906 20 0 HCADLO COc1ccc(C(=O)NCCN2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000539451023 1075326989 /nfs/dbraw/zinc/32/69/89/1075326989.db2.gz OUBPZDOKDMWOGK-OYRHEFFESA-N 1 2 402.539 0.906 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000539455542 1075330536 /nfs/dbraw/zinc/33/05/36/1075330536.db2.gz GPCGQMZIWIMEBT-UHFFFAOYSA-N 1 2 404.471 0.409 20 0 HCADLO CNC(=O)c1ccc(S(=O)(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000539464864 1075334301 /nfs/dbraw/zinc/33/43/01/1075334301.db2.gz JHUSNAANHOFBME-UHFFFAOYSA-N 1 2 417.491 0.052 20 0 HCADLO CC(C)[C@H](O)C1(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000539466328 1075334224 /nfs/dbraw/zinc/33/42/24/1075334224.db2.gz IWSYGYWOOBUQMK-KRWDZBQOSA-N 1 2 417.510 0.321 20 0 HCADLO CC(C)[C@@H](O)C1(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000539466334 1075334134 /nfs/dbraw/zinc/33/41/34/1075334134.db2.gz IWSYGYWOOBUQMK-QGZVFWFLSA-N 1 2 417.510 0.321 20 0 HCADLO CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1(C)C ZINC000539466472 1075334684 /nfs/dbraw/zinc/33/46/84/1075334684.db2.gz KZLMGAQMMNMCFW-IAOVAPTHSA-N 1 2 417.510 0.583 20 0 HCADLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1(C)C ZINC000539466475 1075334636 /nfs/dbraw/zinc/33/46/36/1075334636.db2.gz KZLMGAQMMNMCFW-KBRIMQKVSA-N 1 2 417.510 0.583 20 0 HCADLO CO[C@@H]1[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1(C)C ZINC000539466479 1075335168 /nfs/dbraw/zinc/33/51/68/1075335168.db2.gz KZLMGAQMMNMCFW-RRQGHBQHSA-N 1 2 417.510 0.583 20 0 HCADLO CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1(C)C ZINC000539466481 1075335109 /nfs/dbraw/zinc/33/51/09/1075335109.db2.gz KZLMGAQMMNMCFW-XOKHGSTOSA-N 1 2 417.510 0.583 20 0 HCADLO COc1ccc(S(=O)(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1OC ZINC000539466498 1075335079 /nfs/dbraw/zinc/33/50/79/1075335079.db2.gz JHMSODZLSFLCJQ-UHFFFAOYSA-N 1 2 420.491 0.709 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccn2)CC1 ZINC000539467613 1075335995 /nfs/dbraw/zinc/33/59/95/1075335995.db2.gz QCOSBOUTICVPJB-UHFFFAOYSA-N 1 2 418.475 0.463 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H](CO)C3CCCCC3)ccn2)CC1 ZINC000539477801 1075341209 /nfs/dbraw/zinc/34/12/09/1075341209.db2.gz PCZVZHNVLXPUFJ-GOSISDBHSA-N 1 2 417.510 0.465 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H](CO)C3CCCCC3)ccn2)CC1 ZINC000539477802 1075341246 /nfs/dbraw/zinc/34/12/46/1075341246.db2.gz PCZVZHNVLXPUFJ-SFHVURJKSA-N 1 2 417.510 0.465 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCc3ccc(O)cc3)ccn2)CC1 ZINC000539477990 1075341118 /nfs/dbraw/zinc/34/11/18/1075341118.db2.gz VYHLRTUUYXELOL-UHFFFAOYSA-N 1 2 411.462 0.472 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCOC3CCCC3)ccn2)CC1 ZINC000539478569 1075342296 /nfs/dbraw/zinc/34/22/96/1075342296.db2.gz HDLLFWFPCDJIHJ-UHFFFAOYSA-N 1 2 403.483 0.483 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCOC4(CCCC4)C3)ccn2)CC1 ZINC000539479402 1075341632 /nfs/dbraw/zinc/34/16/32/1075341632.db2.gz POGUNZCCALKSFM-UHFFFAOYSA-N 1 2 415.494 0.579 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)ccn2)CC1 ZINC000539479910 1075342240 /nfs/dbraw/zinc/34/22/40/1075342240.db2.gz KLHRRTNBDQAYDH-DJIMGWMZSA-N 1 2 415.494 0.337 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)ccn2)CC1 ZINC000539479914 1075342219 /nfs/dbraw/zinc/34/22/19/1075342219.db2.gz KLHRRTNBDQAYDH-OIISXLGYSA-N 1 2 415.494 0.337 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccn2)CC1 ZINC000539479915 1075342281 /nfs/dbraw/zinc/34/22/81/1075342281.db2.gz KLHRRTNBDQAYDH-UAGQMJEPSA-N 1 2 415.494 0.337 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)ccn2)CC1 ZINC000539479919 1075342195 /nfs/dbraw/zinc/34/21/95/1075342195.db2.gz KLHRRTNBDQAYDH-USXIJHARSA-N 1 2 415.494 0.337 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N(CCCO)CC(C)(C)C)ccn2)CC1 ZINC000539480366 1075342251 /nfs/dbraw/zinc/34/22/51/1075342251.db2.gz WFTHVEMFJMYJAI-UHFFFAOYSA-N 1 2 419.526 0.665 20 0 HCADLO CO[C@@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(C)(C)C ZINC000539480612 1075343500 /nfs/dbraw/zinc/34/35/00/1075343500.db2.gz NJOFUODYJVGSPM-INIZCTEOSA-N 1 2 405.499 0.585 20 0 HCADLO CO[C@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(C)(C)C ZINC000539480614 1075343422 /nfs/dbraw/zinc/34/34/22/1075343422.db2.gz NJOFUODYJVGSPM-MRXNPFEDSA-N 1 2 405.499 0.585 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC(C(F)F)CC3)ccn2)CC1 ZINC000539480839 1075343126 /nfs/dbraw/zinc/34/31/26/1075343126.db2.gz RVJKNKXNZLSSGK-UHFFFAOYSA-N 1 2 409.437 0.911 20 0 HCADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H](C)S1 ZINC000539481038 1075343076 /nfs/dbraw/zinc/34/30/76/1075343076.db2.gz RGTGANREHGWCCD-KBPBESRZSA-N 1 2 405.524 0.760 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H](C)S1 ZINC000539481039 1075343168 /nfs/dbraw/zinc/34/31/68/1075343168.db2.gz RGTGANREHGWCCD-OKILXGFUSA-N 1 2 405.524 0.760 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H](C)S1 ZINC000539481040 1075343153 /nfs/dbraw/zinc/34/31/53/1075343153.db2.gz RGTGANREHGWCCD-ZIAGYGMSSA-N 1 2 405.524 0.760 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]([C@H]4CCOC4)C3)ccn2)CC1 ZINC000539481187 1075342664 /nfs/dbraw/zinc/34/26/64/1075342664.db2.gz RMPQNWBKVLDOKX-CVEARBPZSA-N 1 2 415.494 0.293 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]([C@H]4CCOC4)C3)ccn2)CC1 ZINC000539481188 1075342731 /nfs/dbraw/zinc/34/27/31/1075342731.db2.gz RMPQNWBKVLDOKX-HOTGVXAUSA-N 1 2 415.494 0.293 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)ccn2)CC1 ZINC000539481189 1075342617 /nfs/dbraw/zinc/34/26/17/1075342617.db2.gz RMPQNWBKVLDOKX-HZPDHXFCSA-N 1 2 415.494 0.293 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]([C@@H]4CCOC4)C3)ccn2)CC1 ZINC000539481190 1075342638 /nfs/dbraw/zinc/34/26/38/1075342638.db2.gz RMPQNWBKVLDOKX-JKSUJKDBSA-N 1 2 415.494 0.293 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CCc4c3cccc4O)ccn2)CC1 ZINC000539481490 1075343443 /nfs/dbraw/zinc/34/34/43/1075343443.db2.gz VNWZKZNVHMZRSY-KRWDZBQOSA-N 1 2 423.473 0.917 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCc4c3cccc4O)ccn2)CC1 ZINC000539481491 1075343510 /nfs/dbraw/zinc/34/35/10/1075343510.db2.gz VNWZKZNVHMZRSY-QGZVFWFLSA-N 1 2 423.473 0.917 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCc3cccc(O)c3)ccn2)CC1 ZINC000539482157 1075343435 /nfs/dbraw/zinc/34/34/35/1075343435.db2.gz OLPBHQXKRVILQS-UHFFFAOYSA-N 1 2 411.462 0.472 20 0 HCADLO CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539482610 1075338929 /nfs/dbraw/zinc/33/89/29/1075338929.db2.gz RQDCDDHQKDCYAS-AWEZNQCLSA-N 1 2 419.482 0.112 20 0 HCADLO CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539482611 1075339063 /nfs/dbraw/zinc/33/90/63/1075339063.db2.gz RQDCDDHQKDCYAS-CQSZACIVSA-N 1 2 419.482 0.112 20 0 HCADLO COCCN(CC(F)F)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539482670 1075339294 /nfs/dbraw/zinc/33/92/94/1075339294.db2.gz FWTOGYZPBQSZBH-UHFFFAOYSA-N 1 2 413.425 0.148 20 0 HCADLO Cc1nc(C)c(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)s1 ZINC000539482933 1075338966 /nfs/dbraw/zinc/33/89/66/1075338966.db2.gz UIGXPBDIZNLRCA-UHFFFAOYSA-N 1 2 416.507 0.797 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)ccn2)CC1 ZINC000539482935 1075339077 /nfs/dbraw/zinc/33/90/77/1075339077.db2.gz UKMPAPLYIVJJRW-DFQSSKMNSA-N 1 2 419.485 0.862 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)ccn2)CC1 ZINC000539482942 1075339091 /nfs/dbraw/zinc/33/90/91/1075339091.db2.gz UKMPAPLYIVJJRW-YZGWKJHDSA-N 1 2 419.485 0.862 20 0 HCADLO CC(C)OC1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000539483036 1075344244 /nfs/dbraw/zinc/34/42/44/1075344244.db2.gz IFVXZNYBNVBLGV-UHFFFAOYSA-N 1 2 417.510 0.824 20 0 HCADLO COCCC1(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCC1 ZINC000539483856 1075339278 /nfs/dbraw/zinc/33/92/78/1075339278.db2.gz WDYINMIMDSRODY-UHFFFAOYSA-N 1 2 417.510 0.731 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@@H](O)CC(C)(C)C)ccn2)CC1 ZINC000539483867 1075339255 /nfs/dbraw/zinc/33/92/55/1075339255.db2.gz RQRUKVTZXSNMSX-HNNXBMFYSA-N 1 2 405.499 0.321 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@H](O)CC(C)(C)C)ccn2)CC1 ZINC000539483868 1075339331 /nfs/dbraw/zinc/33/93/31/1075339331.db2.gz RQRUKVTZXSNMSX-OAHLLOKOSA-N 1 2 405.499 0.321 20 0 HCADLO CCC1(CO)CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000539484285 1075339351 /nfs/dbraw/zinc/33/93/51/1075339351.db2.gz CBMMSMLBCDZFPJ-UHFFFAOYSA-N 1 2 417.510 0.419 20 0 HCADLO CCOC(=O)CC[C@H](C)NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539485430 1075339709 /nfs/dbraw/zinc/33/97/09/1075339709.db2.gz SZALOQYYHXLVIL-AWEZNQCLSA-N 1 2 419.482 0.256 20 0 HCADLO CCOC(=O)CC[C@@H](C)NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539485434 1075339751 /nfs/dbraw/zinc/33/97/51/1075339751.db2.gz SZALOQYYHXLVIL-CQSZACIVSA-N 1 2 419.482 0.256 20 0 HCADLO CCOC(=O)C[C@H](C)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539485577 1075345453 /nfs/dbraw/zinc/34/54/53/1075345453.db2.gz DHNTVHVEJJAKGK-AWEZNQCLSA-N 1 2 419.482 0.113 20 0 HCADLO CCOC(=O)C[C@@H](C)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539485580 1075345432 /nfs/dbraw/zinc/34/54/32/1075345432.db2.gz DHNTVHVEJJAKGK-CQSZACIVSA-N 1 2 419.482 0.113 20 0 HCADLO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539486030 1075345117 /nfs/dbraw/zinc/34/51/17/1075345117.db2.gz QCGPIGSYANGRSB-PBHICJAKSA-N 1 2 403.483 0.027 20 0 HCADLO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539486031 1075344993 /nfs/dbraw/zinc/34/49/93/1075344993.db2.gz QCGPIGSYANGRSB-RHSMWYFYSA-N 1 2 403.483 0.027 20 0 HCADLO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539486032 1075344933 /nfs/dbraw/zinc/34/49/33/1075344933.db2.gz QCGPIGSYANGRSB-WMLDXEAASA-N 1 2 403.483 0.027 20 0 HCADLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539486033 1075345093 /nfs/dbraw/zinc/34/50/93/1075345093.db2.gz QCGPIGSYANGRSB-YOEHRIQHSA-N 1 2 403.483 0.027 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCc4ccccc4C3)ccn2)CC1 ZINC000539487147 1075345734 /nfs/dbraw/zinc/34/57/34/1075345734.db2.gz RWVRTKCMBNHEFS-UHFFFAOYSA-N 1 2 407.474 0.993 20 0 HCADLO CN1CCc2ccc(NC(=O)C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cc21 ZINC000539488801 1075347020 /nfs/dbraw/zinc/34/70/20/1075347020.db2.gz RGVJVLJANNMAKL-UHFFFAOYSA-N 1 2 413.522 0.774 20 0 HCADLO CN1CCc2ccc(NC(=O)C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cc21 ZINC000539488801 1075347014 /nfs/dbraw/zinc/34/70/14/1075347014.db2.gz RGVJVLJANNMAKL-UHFFFAOYSA-N 1 2 413.522 0.774 20 0 HCADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000539496055 1075344962 /nfs/dbraw/zinc/34/49/62/1075344962.db2.gz IRYHCNXTUAOWLP-GFCCVEGCSA-N 1 2 420.329 0.937 20 0 HCADLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000539496055 1075344958 /nfs/dbraw/zinc/34/49/58/1075344958.db2.gz IRYHCNXTUAOWLP-GFCCVEGCSA-N 1 2 420.329 0.937 20 0 HCADLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000539496061 1075345085 /nfs/dbraw/zinc/34/50/85/1075345085.db2.gz IRYHCNXTUAOWLP-LBPRGKRZSA-N 1 2 420.329 0.937 20 0 HCADLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCO1 ZINC000539496061 1075345081 /nfs/dbraw/zinc/34/50/81/1075345081.db2.gz IRYHCNXTUAOWLP-LBPRGKRZSA-N 1 2 420.329 0.937 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000539497662 1075353594 /nfs/dbraw/zinc/35/35/94/1075353594.db2.gz PESOJUVLRMVMFE-LLVKDONJSA-N 1 2 420.329 0.889 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000539497663 1075353526 /nfs/dbraw/zinc/35/35/26/1075353526.db2.gz PESOJUVLRMVMFE-NSHDSACASA-N 1 2 420.329 0.889 20 0 HCADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cn2cc(S(N)(=O)=O)cn2)C[C@H](C)O1 ZINC000539502418 1075349850 /nfs/dbraw/zinc/34/98/50/1075349850.db2.gz NIPAXJYEQDBLOS-KBPBESRZSA-N 1 2 407.496 0.778 20 0 HCADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cn2cc(S(N)(=O)=O)cn2)C[C@H](C)O1 ZINC000539502419 1075349923 /nfs/dbraw/zinc/34/99/23/1075349923.db2.gz NIPAXJYEQDBLOS-OKILXGFUSA-N 1 2 407.496 0.778 20 0 HCADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cn2cc(S(N)(=O)=O)cn2)C[C@H](C)O1 ZINC000539502419 1075349917 /nfs/dbraw/zinc/34/99/17/1075349917.db2.gz NIPAXJYEQDBLOS-OKILXGFUSA-N 1 2 407.496 0.778 20 0 HCADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cn2cc(S(N)(=O)=O)cn2)C[C@@H](C)O1 ZINC000539502420 1075350524 /nfs/dbraw/zinc/35/05/24/1075350524.db2.gz NIPAXJYEQDBLOS-ZIAGYGMSSA-N 1 2 407.496 0.778 20 0 HCADLO C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000539513505 1075356396 /nfs/dbraw/zinc/35/63/96/1075356396.db2.gz KBNUDDSWYZRKSH-GHMZBOCLSA-N 1 2 420.329 0.936 20 0 HCADLO C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000539513506 1075356363 /nfs/dbraw/zinc/35/63/63/1075356363.db2.gz KBNUDDSWYZRKSH-MNOVXSKESA-N 1 2 420.329 0.936 20 0 HCADLO C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000539513507 1075356433 /nfs/dbraw/zinc/35/64/33/1075356433.db2.gz KBNUDDSWYZRKSH-QWRGUYRKSA-N 1 2 420.329 0.936 20 0 HCADLO C[C@H]([C@H](C)NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[NH+]1CCOCC1 ZINC000539513508 1075356402 /nfs/dbraw/zinc/35/64/02/1075356402.db2.gz KBNUDDSWYZRKSH-WDEREUQCSA-N 1 2 420.329 0.936 20 0 HCADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cn2cc(S(N)(=O)=O)cn2)c(C)c1 ZINC000539520433 1075360927 /nfs/dbraw/zinc/36/09/27/1075360927.db2.gz FYLQHDWCOYOGPV-KRWDZBQOSA-N 1 2 402.480 0.902 20 0 HCADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cn2cc(S(N)(=O)=O)cn2)c(C)c1 ZINC000539520436 1075360968 /nfs/dbraw/zinc/36/09/68/1075360968.db2.gz FYLQHDWCOYOGPV-QGZVFWFLSA-N 1 2 402.480 0.902 20 0 HCADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(S(N)(=O)=O)cn3)CC2)c1 ZINC000539521326 1075361842 /nfs/dbraw/zinc/36/18/42/1075361842.db2.gz HXURZQFEXYMHOJ-UHFFFAOYSA-N 1 2 420.491 0.574 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000539521540 1075362667 /nfs/dbraw/zinc/36/26/67/1075362667.db2.gz ACUDGUPFXQSXMW-UHFFFAOYSA-N 1 2 423.926 0.934 20 0 HCADLO CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000539524276 1075363760 /nfs/dbraw/zinc/36/37/60/1075363760.db2.gz ACWWTLFNGJKJKC-IBGZPJMESA-N 1 2 402.455 0.128 20 0 HCADLO CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000539524277 1075363965 /nfs/dbraw/zinc/36/39/65/1075363965.db2.gz ACWWTLFNGJKJKC-LJQANCHMSA-N 1 2 402.455 0.128 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Cn3c(=O)cnc4ccccc43)ccn2)CC1 ZINC000539524565 1075364218 /nfs/dbraw/zinc/36/42/18/1075364218.db2.gz KCLJQDKXAMVERZ-UHFFFAOYSA-N 1 2 406.446 0.818 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Cn3cnc4ccccc4c3=O)ccn2)CC1 ZINC000539524567 1075364200 /nfs/dbraw/zinc/36/42/00/1075364200.db2.gz KFGAZFWQRQGFHR-UHFFFAOYSA-N 1 2 406.446 0.818 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)c3cncc(N4CCOCC4)c3)ccn2)CC1 ZINC000539524711 1075365618 /nfs/dbraw/zinc/36/56/18/1075365618.db2.gz MMIJWOXJNZAFFW-UHFFFAOYSA-N 1 2 410.478 0.953 20 0 HCADLO CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539525067 1075364674 /nfs/dbraw/zinc/36/46/74/1075364674.db2.gz PQCYFLVIHAGIRQ-HNNXBMFYSA-N 1 2 423.539 0.469 20 0 HCADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539525071 1075364768 /nfs/dbraw/zinc/36/47/68/1075364768.db2.gz PQCYFLVIHAGIRQ-OAHLLOKOSA-N 1 2 423.539 0.469 20 0 HCADLO Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539526866 1075366468 /nfs/dbraw/zinc/36/64/68/1075366468.db2.gz CZWKMJSRBIFTSF-UHFFFAOYSA-N 1 2 410.434 0.870 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)ccn2)CC1 ZINC000539527141 1075366313 /nfs/dbraw/zinc/36/63/13/1075366313.db2.gz IHYZVNMOBSVAHL-UHFFFAOYSA-N 1 2 422.445 0.523 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)ccn2)CC1 ZINC000539527504 1075367772 /nfs/dbraw/zinc/36/77/72/1075367772.db2.gz PLMRLYLDQZDNIV-UHFFFAOYSA-N 1 2 416.482 0.518 20 0 HCADLO Cn1nc(CC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c2ccccc2c1=O ZINC000539527704 1075367730 /nfs/dbraw/zinc/36/77/30/1075367730.db2.gz UGQQYBCEVFIQEP-UHFFFAOYSA-N 1 2 420.473 0.897 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CCn3nnc4ccccc4c3=O)ccn2)CC1 ZINC000539527884 1075367358 /nfs/dbraw/zinc/36/73/58/1075367358.db2.gz ZBRWDGZEOARXND-UHFFFAOYSA-N 1 2 421.461 0.603 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000539530144 1075371595 /nfs/dbraw/zinc/37/15/95/1075371595.db2.gz KDWOWLAMMLWAFD-UHFFFAOYSA-N 1 2 413.540 0.482 20 0 HCADLO C[NH+](C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1 ZINC000539552994 1075376506 /nfs/dbraw/zinc/37/65/06/1075376506.db2.gz HMJXWADKKVHYJE-UHFFFAOYSA-N 1 2 402.473 0.861 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)NCC(=O)N2CCOCC2)CC1)Nc1ccccc1 ZINC000539554206 1075376990 /nfs/dbraw/zinc/37/69/90/1075376990.db2.gz NHTUHUKINPTUQO-UHFFFAOYSA-N 1 2 403.483 0.248 20 0 HCADLO COC(=O)C1(c2ccc(S(=O)(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cc2)CC1 ZINC000539554464 1075377037 /nfs/dbraw/zinc/37/70/37/1075377037.db2.gz VKOPKUVAEQTMBO-UHFFFAOYSA-N 1 2 423.535 0.722 20 0 HCADLO C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC000539555342 1075377372 /nfs/dbraw/zinc/37/73/72/1075377372.db2.gz SYOHTXWNIDOKPC-INIZCTEOSA-N 1 2 410.540 0.694 20 0 HCADLO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000539574480 1075381684 /nfs/dbraw/zinc/38/16/84/1075381684.db2.gz WVQSQLXBXZONTD-GOEBONIOSA-N 1 2 400.497 0.569 20 0 HCADLO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000539574480 1075381682 /nfs/dbraw/zinc/38/16/82/1075381682.db2.gz WVQSQLXBXZONTD-GOEBONIOSA-N 1 2 400.497 0.569 20 0 HCADLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000539574482 1075381745 /nfs/dbraw/zinc/38/17/45/1075381745.db2.gz WVQSQLXBXZONTD-HOCLYGCPSA-N 1 2 400.497 0.569 20 0 HCADLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000539574482 1075381740 /nfs/dbraw/zinc/38/17/40/1075381740.db2.gz WVQSQLXBXZONTD-HOCLYGCPSA-N 1 2 400.497 0.569 20 0 HCADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N(CCC(F)(F)F)C[C@H](O)CO ZINC000539577684 1075385859 /nfs/dbraw/zinc/38/58/59/1075385859.db2.gz UXHCLWNNTGMFLS-DZGCQCFKSA-N 1 2 415.478 0.512 20 0 HCADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N(CCC(F)(F)F)C[C@H](O)CO ZINC000539577685 1075385774 /nfs/dbraw/zinc/38/57/74/1075385774.db2.gz UXHCLWNNTGMFLS-ZFWWWQNUSA-N 1 2 415.478 0.512 20 0 HCADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)CC2 ZINC000539579076 1075385716 /nfs/dbraw/zinc/38/57/16/1075385716.db2.gz ZCLZLJWHQRXICF-AWEZNQCLSA-N 1 2 411.524 0.554 20 0 HCADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)CC2 ZINC000539579076 1075385710 /nfs/dbraw/zinc/38/57/10/1075385710.db2.gz ZCLZLJWHQRXICF-AWEZNQCLSA-N 1 2 411.524 0.554 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(=O)NC(C)(C)C)cc2)CC1 ZINC000539594144 1075392686 /nfs/dbraw/zinc/39/26/86/1075392686.db2.gz HRZNXVIQCXMVAN-UHFFFAOYSA-N 1 2 417.510 0.320 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC(CO)CC3)cc2)CC1 ZINC000539594439 1075392250 /nfs/dbraw/zinc/39/22/50/1075392250.db2.gz QUYHODQLTFFYQN-UHFFFAOYSA-N 1 2 402.495 0.520 20 0 HCADLO Cn1cc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)c(=O)n(C)c1=O ZINC000539595759 1075388027 /nfs/dbraw/zinc/38/80/27/1075388027.db2.gz JNYJKTYCKSMJFE-AWEZNQCLSA-N 1 2 401.448 0.273 20 0 HCADLO Cn1cc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)c(=O)n(C)c1=O ZINC000539595760 1075388146 /nfs/dbraw/zinc/38/81/46/1075388146.db2.gz JNYJKTYCKSMJFE-CQSZACIVSA-N 1 2 401.448 0.273 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cc2)CC1 ZINC000539599412 1075389055 /nfs/dbraw/zinc/38/90/55/1075389055.db2.gz OUHDFGSMKBEIBQ-UHFFFAOYSA-N 1 2 421.523 0.022 20 0 HCADLO CC(C)CS(=O)(=O)N1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000539615463 1075397379 /nfs/dbraw/zinc/39/73/79/1075397379.db2.gz GEISHWXAQBDMON-UHFFFAOYSA-N 1 2 404.577 0.847 20 0 HCADLO Cc1ccc(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c(F)c1 ZINC000539628491 1075406927 /nfs/dbraw/zinc/40/69/27/1075406927.db2.gz DSLLDAROXOTKIK-UHFFFAOYSA-N 1 2 406.414 0.586 20 0 HCADLO Cn1ncc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c1C(F)(F)F ZINC000539628669 1075407481 /nfs/dbraw/zinc/40/74/81/1075407481.db2.gz FLLOCYMAFJUTCK-UHFFFAOYSA-N 1 2 403.361 0.452 20 0 HCADLO O=c1[nH]c2ccccc2n1CCCN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000539628726 1075407443 /nfs/dbraw/zinc/40/74/43/1075407443.db2.gz IRWSDEWWFDRXRM-UHFFFAOYSA-N 1 2 415.450 0.645 20 0 HCADLO Cn1c(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)nnc1-c1ccccc1 ZINC000539629784 1075408507 /nfs/dbraw/zinc/40/85/07/1075408507.db2.gz DTVPHMOYLGABSD-UHFFFAOYSA-N 1 2 412.450 0.495 20 0 HCADLO Cc1ccc(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1F ZINC000539629957 1075408044 /nfs/dbraw/zinc/40/80/44/1075408044.db2.gz IYUAOMHNVGRDQB-UHFFFAOYSA-N 1 2 406.414 0.586 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000539629999 1075408029 /nfs/dbraw/zinc/40/80/29/1075408029.db2.gz JOMNHWDKSIHMPO-PMACEKPBSA-N 1 2 401.507 0.637 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000539630001 1075408608 /nfs/dbraw/zinc/40/86/08/1075408608.db2.gz JOMNHWDKSIHMPO-UXHICEINSA-N 1 2 401.507 0.637 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000539630003 1075408462 /nfs/dbraw/zinc/40/84/62/1075408462.db2.gz JOMNHWDKSIHMPO-VQTJNVASSA-N 1 2 401.507 0.637 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000539630004 1075408497 /nfs/dbraw/zinc/40/84/97/1075408497.db2.gz JOMNHWDKSIHMPO-WOJBJXKFSA-N 1 2 401.507 0.637 20 0 HCADLO CCOc1ccccc1OCCN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000539630140 1075408035 /nfs/dbraw/zinc/40/80/35/1075408035.db2.gz OIRIWOSSMUEGMR-UHFFFAOYSA-N 1 2 405.451 0.977 20 0 HCADLO CN(c1nc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cs1)C1CC1 ZINC000539630507 1075407576 /nfs/dbraw/zinc/40/75/76/1075407576.db2.gz PORUXSXQASCZTA-UHFFFAOYSA-N 1 2 407.496 0.755 20 0 HCADLO CCS[C@H](C)c1noc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)n1 ZINC000539630790 1075402134 /nfs/dbraw/zinc/40/21/34/1075402134.db2.gz ZYGGDNIHZFVJIY-GFCCVEGCSA-N 1 2 411.484 0.897 20 0 HCADLO CCS[C@@H](C)c1noc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)n1 ZINC000539630791 1075402278 /nfs/dbraw/zinc/40/22/78/1075402278.db2.gz ZYGGDNIHZFVJIY-LBPRGKRZSA-N 1 2 411.484 0.897 20 0 HCADLO O=C1C(=O)N(Cc2nccn2CC(F)(F)F)C(=O)N1CCC[NH+]1CCOCC1 ZINC000539631083 1075408421 /nfs/dbraw/zinc/40/84/21/1075408421.db2.gz MCSNPXYWXUJSHD-UHFFFAOYSA-N 1 2 403.361 0.459 20 0 HCADLO COC(=O)c1cc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c(C)s1 ZINC000539631089 1075408444 /nfs/dbraw/zinc/40/84/44/1075408444.db2.gz MISRMRVGUKPYBS-UHFFFAOYSA-N 1 2 409.464 0.856 20 0 HCADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NCCCC1CCCCC1 ZINC000539631110 1075408529 /nfs/dbraw/zinc/40/85/29/1075408529.db2.gz OXGOJOWETKLXNY-UHFFFAOYSA-N 1 2 422.526 0.976 20 0 HCADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NCCCc1ccccc1 ZINC000539631230 1075408553 /nfs/dbraw/zinc/40/85/53/1075408553.db2.gz AJKMDKBKJIBFCO-UHFFFAOYSA-N 1 2 416.478 0.249 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000539633372 1075403336 /nfs/dbraw/zinc/40/33/36/1075403336.db2.gz JLFJGXKFBUIMSI-VBKZILBWSA-N 1 2 413.482 0.199 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000539633372 1075403333 /nfs/dbraw/zinc/40/33/33/1075403333.db2.gz JLFJGXKFBUIMSI-VBKZILBWSA-N 1 2 413.482 0.199 20 0 HCADLO CC1(C)CN(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000539638887 1075411675 /nfs/dbraw/zinc/41/16/75/1075411675.db2.gz ZEOQCFMPYMFREX-UHFFFAOYSA-N 1 2 413.540 0.843 20 0 HCADLO COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000539640481 1075411648 /nfs/dbraw/zinc/41/16/48/1075411648.db2.gz PUXTZVMTQNUUAQ-AWEZNQCLSA-N 1 2 404.467 0.215 20 0 HCADLO COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000539640482 1075411593 /nfs/dbraw/zinc/41/15/93/1075411593.db2.gz PUXTZVMTQNUUAQ-CQSZACIVSA-N 1 2 404.467 0.215 20 0 HCADLO CNC(=O)CCCN(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000539640708 1075412775 /nfs/dbraw/zinc/41/27/75/1075412775.db2.gz SAAUWCGFDPOMOU-UHFFFAOYSA-N 1 2 417.510 0.274 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000539641145 1075412307 /nfs/dbraw/zinc/41/23/07/1075412307.db2.gz HZCMWDVQTTXICC-IBGZPJMESA-N 1 2 424.505 0.686 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000539641146 1075412236 /nfs/dbraw/zinc/41/22/36/1075412236.db2.gz HZCMWDVQTTXICC-LJQANCHMSA-N 1 2 424.505 0.686 20 0 HCADLO CCOC(=O)CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000539641422 1075412177 /nfs/dbraw/zinc/41/21/77/1075412177.db2.gz BIKNLAZSWYLZCU-UHFFFAOYSA-N 1 2 404.467 0.359 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)C(C)C)cc2)CC1 ZINC000539641630 1075412757 /nfs/dbraw/zinc/41/27/57/1075412757.db2.gz CHWSFVVKXJQHIQ-NRFANRHFSA-N 1 2 404.511 0.812 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C(C)C)cc2)CC1 ZINC000539641631 1075412824 /nfs/dbraw/zinc/41/28/24/1075412824.db2.gz CHWSFVVKXJQHIQ-OAQYLSRUSA-N 1 2 404.511 0.812 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3(CCO)CCC3)cc2)CC1 ZINC000539642004 1075413238 /nfs/dbraw/zinc/41/32/38/1075413238.db2.gz JQXZUCQIKWZVDV-UHFFFAOYSA-N 1 2 416.522 0.958 20 0 HCADLO CCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000539642167 1075413282 /nfs/dbraw/zinc/41/32/82/1075413282.db2.gz MOHPGDVTQYJKBE-NRFANRHFSA-N 1 2 404.511 0.957 20 0 HCADLO CCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000539642168 1075413489 /nfs/dbraw/zinc/41/34/89/1075413489.db2.gz MOHPGDVTQYJKBE-OAQYLSRUSA-N 1 2 404.511 0.957 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C[C@H]3CCOC3)cc2)CC1 ZINC000539642387 1075412784 /nfs/dbraw/zinc/41/27/84/1075412784.db2.gz SCDSXAZSIPYQBK-GOSISDBHSA-N 1 2 402.495 0.784 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C[C@@H]3CCOC3)cc2)CC1 ZINC000539642390 1075413390 /nfs/dbraw/zinc/41/33/90/1075413390.db2.gz SCDSXAZSIPYQBK-SFHVURJKSA-N 1 2 402.495 0.784 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000539642786 1075409050 /nfs/dbraw/zinc/40/90/50/1075409050.db2.gz ZOWVXKZXJZANSF-IYBDPMFKSA-N 1 2 402.495 0.925 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[C@H](O)CC3)cc2)CC1 ZINC000539642999 1075408984 /nfs/dbraw/zinc/40/89/84/1075408984.db2.gz HAYATYWKNSIWAJ-WGSAOQKQSA-N 1 2 402.495 0.709 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CCn3cccn3)cc2)CC1 ZINC000539643418 1075413354 /nfs/dbraw/zinc/41/33/54/1075413354.db2.gz NSVBGAMNIQAHQG-UHFFFAOYSA-N 1 2 412.494 0.644 20 0 HCADLO CO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000539643714 1075409162 /nfs/dbraw/zinc/40/91/62/1075409162.db2.gz SONKAUJODHJWME-IBGZPJMESA-N 1 2 402.495 0.927 20 0 HCADLO CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000539643722 1075409099 /nfs/dbraw/zinc/40/90/99/1075409099.db2.gz SONKAUJODHJWME-LJQANCHMSA-N 1 2 402.495 0.927 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000539643845 1075409502 /nfs/dbraw/zinc/40/95/02/1075409502.db2.gz KCHCBNBDQHSXEX-DENIHFKCSA-N 1 2 416.522 0.957 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000539643846 1075409457 /nfs/dbraw/zinc/40/94/57/1075409457.db2.gz KCHCBNBDQHSXEX-KNQAVFIVSA-N 1 2 416.522 0.957 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000539643847 1075409619 /nfs/dbraw/zinc/40/96/19/1075409619.db2.gz KCHCBNBDQHSXEX-SIKLNZKXSA-N 1 2 416.522 0.957 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000539643848 1075409577 /nfs/dbraw/zinc/40/95/77/1075409577.db2.gz KCHCBNBDQHSXEX-UGKGYDQZSA-N 1 2 416.522 0.957 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3(O)CCCC3)cc2)CC1 ZINC000539644322 1075409563 /nfs/dbraw/zinc/40/95/63/1075409563.db2.gz PIMPIPBJACZYJS-UHFFFAOYSA-N 1 2 402.495 0.711 20 0 HCADLO COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000539644597 1075409654 /nfs/dbraw/zinc/40/96/54/1075409654.db2.gz OGKAXPNREZMERH-UHFFFAOYSA-N 1 2 418.494 0.605 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3cnn(C)c3)cc2)CC1 ZINC000539645335 1075410038 /nfs/dbraw/zinc/41/00/38/1075410038.db2.gz WBZQGRWCMSHXRO-HNNXBMFYSA-N 1 2 412.494 0.900 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)c3cnn(C)c3)cc2)CC1 ZINC000539645336 1075410048 /nfs/dbraw/zinc/41/00/48/1075410048.db2.gz WBZQGRWCMSHXRO-OAHLLOKOSA-N 1 2 412.494 0.900 20 0 HCADLO COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000539664543 1075418725 /nfs/dbraw/zinc/41/87/25/1075418725.db2.gz QDLKSLOVDGTWPP-KRWDZBQOSA-N 1 2 416.478 0.311 20 0 HCADLO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000539664544 1075418762 /nfs/dbraw/zinc/41/87/62/1075418762.db2.gz QDLKSLOVDGTWPP-QGZVFWFLSA-N 1 2 416.478 0.311 20 0 HCADLO Cc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000539672188 1075419745 /nfs/dbraw/zinc/41/97/45/1075419745.db2.gz ZKMLGZRCZYFDOZ-KRWDZBQOSA-N 1 2 415.469 0.983 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000539672190 1075419634 /nfs/dbraw/zinc/41/96/34/1075419634.db2.gz ZKMLGZRCZYFDOZ-QGZVFWFLSA-N 1 2 415.469 0.983 20 0 HCADLO Cc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc(=O)[nH]1 ZINC000539682989 1075423461 /nfs/dbraw/zinc/42/34/61/1075423461.db2.gz CEZIASASICEZMO-UHFFFAOYSA-N 1 2 405.480 0.372 20 0 HCADLO COCCOc1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000539685572 1075424042 /nfs/dbraw/zinc/42/40/42/1075424042.db2.gz IDTKUWXLQLLEFZ-UHFFFAOYSA-N 1 2 413.478 0.971 20 0 HCADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1[C@@H](C)C1CC1 ZINC000539686838 1075425593 /nfs/dbraw/zinc/42/55/93/1075425593.db2.gz LZVMEODMDCDHPL-INIZCTEOSA-N 1 2 424.571 0.413 20 0 HCADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1[C@H](C)C1CC1 ZINC000539686845 1075425581 /nfs/dbraw/zinc/42/55/81/1075425581.db2.gz LZVMEODMDCDHPL-MRXNPFEDSA-N 1 2 424.571 0.413 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc(S(N)(=O)=O)o3)cc2)CC1 ZINC000539697120 1075430555 /nfs/dbraw/zinc/43/05/55/1075430555.db2.gz LQSDSGSUVASIBU-UHFFFAOYSA-N 1 2 406.464 0.843 20 0 HCADLO CSCCCN(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000539714247 1075437815 /nfs/dbraw/zinc/43/78/15/1075437815.db2.gz XLIQPUWWTXLTNB-UHFFFAOYSA-N 1 2 415.585 0.928 20 0 HCADLO O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000539714580 1075437799 /nfs/dbraw/zinc/43/77/99/1075437799.db2.gz DZKVBGJHMXSWOO-CYBMUJFWSA-N 1 2 418.475 0.406 20 0 HCADLO O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000539714581 1075437881 /nfs/dbraw/zinc/43/78/81/1075437881.db2.gz DZKVBGJHMXSWOO-ZDUSSCGKSA-N 1 2 418.475 0.406 20 0 HCADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)NC4CCCCC4)CC3)c2c(=O)n(C)c1=O ZINC000539719804 1075440395 /nfs/dbraw/zinc/44/03/95/1075440395.db2.gz FOSMWQNXGPPOHI-UHFFFAOYSA-N 1 2 417.514 0.094 20 0 HCADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000539721346 1075440424 /nfs/dbraw/zinc/44/04/24/1075440424.db2.gz ONIOJRNBGYGWFR-CYBMUJFWSA-N 1 2 419.507 0.530 20 0 HCADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000539721346 1075440416 /nfs/dbraw/zinc/44/04/16/1075440416.db2.gz ONIOJRNBGYGWFR-CYBMUJFWSA-N 1 2 419.507 0.530 20 0 HCADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000539721353 1075440518 /nfs/dbraw/zinc/44/05/18/1075440518.db2.gz ONIOJRNBGYGWFR-ZDUSSCGKSA-N 1 2 419.507 0.530 20 0 HCADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000539721353 1075440517 /nfs/dbraw/zinc/44/05/17/1075440517.db2.gz ONIOJRNBGYGWFR-ZDUSSCGKSA-N 1 2 419.507 0.530 20 0 HCADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000539725651 1075437417 /nfs/dbraw/zinc/43/74/17/1075437417.db2.gz NNOHEQZICDNUNR-UHFFFAOYSA-N 1 2 422.505 0.111 20 0 HCADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000539725651 1075437411 /nfs/dbraw/zinc/43/74/11/1075437411.db2.gz NNOHEQZICDNUNR-UHFFFAOYSA-N 1 2 422.505 0.111 20 0 HCADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C)cc1 ZINC000539726481 1075441300 /nfs/dbraw/zinc/44/13/00/1075441300.db2.gz AEYDTJJKWNHHGJ-AWEZNQCLSA-N 1 2 413.544 0.903 20 0 HCADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)cc1 ZINC000539726481 1075441297 /nfs/dbraw/zinc/44/12/97/1075441297.db2.gz AEYDTJJKWNHHGJ-AWEZNQCLSA-N 1 2 413.544 0.903 20 0 HCADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)cc1 ZINC000539726482 1075441327 /nfs/dbraw/zinc/44/13/27/1075441327.db2.gz AEYDTJJKWNHHGJ-CQSZACIVSA-N 1 2 413.544 0.903 20 0 HCADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C)cc1 ZINC000539726482 1075441322 /nfs/dbraw/zinc/44/13/22/1075441322.db2.gz AEYDTJJKWNHHGJ-CQSZACIVSA-N 1 2 413.544 0.903 20 0 HCADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000539726867 1075441834 /nfs/dbraw/zinc/44/18/34/1075441834.db2.gz JQWHIQKQUOSTIS-UHFFFAOYSA-N 1 2 419.935 0.732 20 0 HCADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000539726867 1075441827 /nfs/dbraw/zinc/44/18/27/1075441827.db2.gz JQWHIQKQUOSTIS-UHFFFAOYSA-N 1 2 419.935 0.732 20 0 HCADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000539726940 1075441970 /nfs/dbraw/zinc/44/19/70/1075441970.db2.gz KZEZFVJENPVQKP-UHFFFAOYSA-N 1 2 411.528 0.613 20 0 HCADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000539726940 1075441968 /nfs/dbraw/zinc/44/19/68/1075441968.db2.gz KZEZFVJENPVQKP-UHFFFAOYSA-N 1 2 411.528 0.613 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)cc1 ZINC000539728588 1075441990 /nfs/dbraw/zinc/44/19/90/1075441990.db2.gz NAZIOSUDJQGUNU-UHFFFAOYSA-N 1 2 413.544 0.859 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)CCNC(=O)N(C)C)cc1 ZINC000539728588 1075441988 /nfs/dbraw/zinc/44/19/88/1075441988.db2.gz NAZIOSUDJQGUNU-UHFFFAOYSA-N 1 2 413.544 0.859 20 0 HCADLO COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)cc(C(=O)OC)c1 ZINC000539728724 1075442544 /nfs/dbraw/zinc/44/25/44/1075442544.db2.gz AUARSNAMLQUOHE-GFCCVEGCSA-N 1 2 408.455 0.790 20 0 HCADLO COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C)cc(C(=O)OC)c1 ZINC000539728724 1075442540 /nfs/dbraw/zinc/44/25/40/1075442540.db2.gz AUARSNAMLQUOHE-GFCCVEGCSA-N 1 2 408.455 0.790 20 0 HCADLO COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C)cc(C(=O)OC)c1 ZINC000539728727 1075442478 /nfs/dbraw/zinc/44/24/78/1075442478.db2.gz AUARSNAMLQUOHE-LBPRGKRZSA-N 1 2 408.455 0.790 20 0 HCADLO COC(=O)c1cc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)cc(C(=O)OC)c1 ZINC000539728727 1075442475 /nfs/dbraw/zinc/44/24/75/1075442475.db2.gz AUARSNAMLQUOHE-LBPRGKRZSA-N 1 2 408.455 0.790 20 0 HCADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000539755679 1075450401 /nfs/dbraw/zinc/45/04/01/1075450401.db2.gz FMYYWFOYHFFHBQ-UHFFFAOYSA-N 1 2 424.445 0.807 20 0 HCADLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)[nH]1 ZINC000539764517 1075455087 /nfs/dbraw/zinc/45/50/87/1075455087.db2.gz DIRCMDSTFODXRF-HNNXBMFYSA-N 1 2 400.549 0.469 20 0 HCADLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)[nH]1 ZINC000539764517 1075455084 /nfs/dbraw/zinc/45/50/84/1075455084.db2.gz DIRCMDSTFODXRF-HNNXBMFYSA-N 1 2 400.549 0.469 20 0 HCADLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)[nH]1 ZINC000539764518 1075454930 /nfs/dbraw/zinc/45/49/30/1075454930.db2.gz DIRCMDSTFODXRF-OAHLLOKOSA-N 1 2 400.549 0.469 20 0 HCADLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)[nH]1 ZINC000539764518 1075454927 /nfs/dbraw/zinc/45/49/27/1075454927.db2.gz DIRCMDSTFODXRF-OAHLLOKOSA-N 1 2 400.549 0.469 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)ccc1OC ZINC000539774153 1075459253 /nfs/dbraw/zinc/45/92/53/1075459253.db2.gz WQZWOROLDDSZJP-CYBMUJFWSA-N 1 2 413.496 0.313 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)ccc1OC ZINC000539774153 1075459248 /nfs/dbraw/zinc/45/92/48/1075459248.db2.gz WQZWOROLDDSZJP-CYBMUJFWSA-N 1 2 413.496 0.313 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)ccc1OC ZINC000539774154 1075459218 /nfs/dbraw/zinc/45/92/18/1075459218.db2.gz WQZWOROLDDSZJP-ZDUSSCGKSA-N 1 2 413.496 0.313 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)ccc1OC ZINC000539774154 1075459216 /nfs/dbraw/zinc/45/92/16/1075459216.db2.gz WQZWOROLDDSZJP-ZDUSSCGKSA-N 1 2 413.496 0.313 20 0 HCADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000539774438 1075459227 /nfs/dbraw/zinc/45/92/27/1075459227.db2.gz BISHHHIGMXLCJB-UHFFFAOYSA-N 1 2 424.445 0.854 20 0 HCADLO O=c1n(CCCNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)nc2n1CCCC2 ZINC000539778086 1075462992 /nfs/dbraw/zinc/46/29/92/1075462992.db2.gz QLAUSOVWLOFWBB-UHFFFAOYSA-N 1 2 416.507 0.995 20 0 HCADLO CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000539779401 1075463533 /nfs/dbraw/zinc/46/35/33/1075463533.db2.gz RUSCWCHKCQNACG-UHFFFAOYSA-N 1 2 405.524 0.764 20 0 HCADLO O=C(CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000539789388 1075465984 /nfs/dbraw/zinc/46/59/84/1075465984.db2.gz OMWMPSVWGWPXMR-UHFFFAOYSA-N 1 2 405.374 0.990 20 0 HCADLO Cn1cc([C@@H](CO)NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000539804324 1075469237 /nfs/dbraw/zinc/46/92/37/1075469237.db2.gz GHJCOXNWRXPBBZ-GOSISDBHSA-N 1 2 403.483 0.664 20 0 HCADLO Cn1cc([C@H](CO)NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000539804325 1075469254 /nfs/dbraw/zinc/46/92/54/1075469254.db2.gz GHJCOXNWRXPBBZ-SFHVURJKSA-N 1 2 403.483 0.664 20 0 HCADLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000539820765 1075474415 /nfs/dbraw/zinc/47/44/15/1075474415.db2.gz FRGMMEMFLVKCQO-INIZCTEOSA-N 1 2 414.506 0.758 20 0 HCADLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000539820770 1075474560 /nfs/dbraw/zinc/47/45/60/1075474560.db2.gz FRGMMEMFLVKCQO-MRXNPFEDSA-N 1 2 414.506 0.758 20 0 HCADLO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)ccc1OCC(=O)N1CCOCC1 ZINC000539824913 1075471216 /nfs/dbraw/zinc/47/12/16/1075471216.db2.gz KIWBWEOBVNFDCL-INIZCTEOSA-N 1 2 405.495 0.985 20 0 HCADLO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)ccc1OCC(=O)N1CCOCC1 ZINC000539824913 1075471211 /nfs/dbraw/zinc/47/12/11/1075471211.db2.gz KIWBWEOBVNFDCL-INIZCTEOSA-N 1 2 405.495 0.985 20 0 HCADLO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@H]2C)ccc1OCC(=O)N1CCOCC1 ZINC000539824914 1075471358 /nfs/dbraw/zinc/47/13/58/1075471358.db2.gz KIWBWEOBVNFDCL-MRXNPFEDSA-N 1 2 405.495 0.985 20 0 HCADLO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@H]2C)ccc1OCC(=O)N1CCOCC1 ZINC000539824914 1075471351 /nfs/dbraw/zinc/47/13/51/1075471351.db2.gz KIWBWEOBVNFDCL-MRXNPFEDSA-N 1 2 405.495 0.985 20 0 HCADLO COc1cc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 ZINC000539838927 1075476685 /nfs/dbraw/zinc/47/66/85/1075476685.db2.gz NCMSZUFKHFGPQJ-HNNXBMFYSA-N 1 2 414.524 0.798 20 0 HCADLO COc1cc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 ZINC000539838927 1075476679 /nfs/dbraw/zinc/47/66/79/1075476679.db2.gz NCMSZUFKHFGPQJ-HNNXBMFYSA-N 1 2 414.524 0.798 20 0 HCADLO COc1cc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 ZINC000539838928 1075476593 /nfs/dbraw/zinc/47/65/93/1075476593.db2.gz NCMSZUFKHFGPQJ-OAHLLOKOSA-N 1 2 414.524 0.798 20 0 HCADLO COc1cc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 ZINC000539838928 1075476587 /nfs/dbraw/zinc/47/65/87/1075476587.db2.gz NCMSZUFKHFGPQJ-OAHLLOKOSA-N 1 2 414.524 0.798 20 0 HCADLO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000539856118 1075489885 /nfs/dbraw/zinc/48/98/85/1075489885.db2.gz MJMDIPBCUXGWQU-HNNXBMFYSA-N 1 2 416.613 0.977 20 0 HCADLO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)s1 ZINC000539856118 1075489881 /nfs/dbraw/zinc/48/98/81/1075489881.db2.gz MJMDIPBCUXGWQU-HNNXBMFYSA-N 1 2 416.613 0.977 20 0 HCADLO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000539856122 1075490027 /nfs/dbraw/zinc/49/00/27/1075490027.db2.gz MJMDIPBCUXGWQU-OAHLLOKOSA-N 1 2 416.613 0.977 20 0 HCADLO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)s1 ZINC000539856122 1075490020 /nfs/dbraw/zinc/49/00/20/1075490020.db2.gz MJMDIPBCUXGWQU-OAHLLOKOSA-N 1 2 416.613 0.977 20 0 HCADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000539861900 1075493453 /nfs/dbraw/zinc/49/34/53/1075493453.db2.gz ZBZQVGGROVBIBC-FXAWDEMLSA-N 1 2 423.583 0.545 20 0 HCADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000539861902 1075493411 /nfs/dbraw/zinc/49/34/11/1075493411.db2.gz ZBZQVGGROVBIBC-PXNSSMCTSA-N 1 2 423.583 0.545 20 0 HCADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000539861903 1075493487 /nfs/dbraw/zinc/49/34/87/1075493487.db2.gz ZBZQVGGROVBIBC-XLIONFOSSA-N 1 2 423.583 0.545 20 0 HCADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000539861904 1075493475 /nfs/dbraw/zinc/49/34/75/1075493475.db2.gz ZBZQVGGROVBIBC-YLJYHZDGSA-N 1 2 423.583 0.545 20 0 HCADLO COC[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000539866011 1075497011 /nfs/dbraw/zinc/49/70/11/1075497011.db2.gz BNZZXOIJXZNJAX-GOSISDBHSA-N 1 2 401.467 0.658 20 0 HCADLO COC[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000539866012 1075496978 /nfs/dbraw/zinc/49/69/78/1075496978.db2.gz BNZZXOIJXZNJAX-SFHVURJKSA-N 1 2 401.467 0.658 20 0 HCADLO COc1ccc(CCNc2nc(NCCO)c3ccccc3[nH+]2)cc1S(N)(=O)=O ZINC000539866219 1075497096 /nfs/dbraw/zinc/49/70/96/1075497096.db2.gz OANBNRTYVALITC-UHFFFAOYSA-N 1 2 417.491 0.188 20 0 HCADLO O=C(NCCSCC(F)(F)F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000539870585 1075499360 /nfs/dbraw/zinc/49/93/60/1075499360.db2.gz INQJAJRBYZRCFQ-UHFFFAOYSA-N 1 2 409.434 0.566 20 0 HCADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000539885783 1075502455 /nfs/dbraw/zinc/50/24/55/1075502455.db2.gz PGGGBZWFXNSBSO-UHFFFAOYSA-N 1 2 403.479 0.864 20 0 HCADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000539885858 1075502321 /nfs/dbraw/zinc/50/23/21/1075502321.db2.gz LWMNRPSXQMPYQR-INIZCTEOSA-N 1 2 414.547 0.902 20 0 HCADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000539885861 1075502803 /nfs/dbraw/zinc/50/28/03/1075502803.db2.gz LWMNRPSXQMPYQR-MRXNPFEDSA-N 1 2 414.547 0.902 20 0 HCADLO COC(=O)C1(O)CC[NH+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000539886301 1075502755 /nfs/dbraw/zinc/50/27/55/1075502755.db2.gz KVJJAPLHTRAXJM-UHFFFAOYSA-N 1 2 409.527 0.674 20 0 HCADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000539887307 1075503105 /nfs/dbraw/zinc/50/31/05/1075503105.db2.gz XCPNYCBIMXVOIR-UHFFFAOYSA-N 1 2 417.506 0.266 20 0 HCADLO COC(=O)C1(O)CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000539887307 1075503098 /nfs/dbraw/zinc/50/30/98/1075503098.db2.gz XCPNYCBIMXVOIR-UHFFFAOYSA-N 1 2 417.506 0.266 20 0 HCADLO COc1cc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc(OC)c1OCC(N)=O ZINC000539911118 1075509943 /nfs/dbraw/zinc/50/99/43/1075509943.db2.gz FPQBROJFRDLCFM-UHFFFAOYSA-N 1 2 408.484 0.324 20 0 HCADLO CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1Br ZINC000539922030 1075515162 /nfs/dbraw/zinc/51/51/62/1075515162.db2.gz QHZDZXDTUQMFJF-GFCCVEGCSA-N 1 2 402.314 0.582 20 0 HCADLO CS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1Br ZINC000539922031 1075514997 /nfs/dbraw/zinc/51/49/97/1075514997.db2.gz QHZDZXDTUQMFJF-LBPRGKRZSA-N 1 2 402.314 0.582 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)nc1 ZINC000539938410 1075520262 /nfs/dbraw/zinc/52/02/62/1075520262.db2.gz KNTJVEPYMQWDTA-UHFFFAOYSA-N 1 2 419.507 0.489 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1cccnc1-n1cccn1 ZINC000539952214 1075521730 /nfs/dbraw/zinc/52/17/30/1075521730.db2.gz NNZKKDNQOUFUPO-UHFFFAOYSA-N 1 2 407.482 0.679 20 0 HCADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000539996455 1075531179 /nfs/dbraw/zinc/53/11/79/1075531179.db2.gz NWHAKQBFSCDTPZ-AWEZNQCLSA-N 1 2 416.613 0.977 20 0 HCADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000539996455 1075531174 /nfs/dbraw/zinc/53/11/74/1075531174.db2.gz NWHAKQBFSCDTPZ-AWEZNQCLSA-N 1 2 416.613 0.977 20 0 HCADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000539996458 1075531155 /nfs/dbraw/zinc/53/11/55/1075531155.db2.gz NWHAKQBFSCDTPZ-CQSZACIVSA-N 1 2 416.613 0.977 20 0 HCADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000539996458 1075531148 /nfs/dbraw/zinc/53/11/48/1075531148.db2.gz NWHAKQBFSCDTPZ-CQSZACIVSA-N 1 2 416.613 0.977 20 0 HCADLO O=S(=O)(CCC1CC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000539996483 1075531189 /nfs/dbraw/zinc/53/11/89/1075531189.db2.gz ORUGFOJDMAIGGH-UHFFFAOYSA-N 1 2 402.542 0.253 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000540000359 1075531925 /nfs/dbraw/zinc/53/19/25/1075531925.db2.gz GGTFGDCSMVINCV-ARFHVFGLSA-N 1 2 411.524 0.687 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000540000359 1075531920 /nfs/dbraw/zinc/53/19/20/1075531920.db2.gz GGTFGDCSMVINCV-ARFHVFGLSA-N 1 2 411.524 0.687 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000540000362 1075531860 /nfs/dbraw/zinc/53/18/60/1075531860.db2.gz GGTFGDCSMVINCV-BZUAXINKSA-N 1 2 411.524 0.687 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000540000362 1075531859 /nfs/dbraw/zinc/53/18/59/1075531859.db2.gz GGTFGDCSMVINCV-BZUAXINKSA-N 1 2 411.524 0.687 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)C1 ZINC000540000364 1075531783 /nfs/dbraw/zinc/53/17/83/1075531783.db2.gz GGTFGDCSMVINCV-HRCADAONSA-N 1 2 411.524 0.687 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)C1 ZINC000540000364 1075531777 /nfs/dbraw/zinc/53/17/77/1075531777.db2.gz GGTFGDCSMVINCV-HRCADAONSA-N 1 2 411.524 0.687 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)C1 ZINC000540000368 1075531841 /nfs/dbraw/zinc/53/18/41/1075531841.db2.gz GGTFGDCSMVINCV-OWCLPIDISA-N 1 2 411.524 0.687 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)C1 ZINC000540000368 1075531834 /nfs/dbraw/zinc/53/18/34/1075531834.db2.gz GGTFGDCSMVINCV-OWCLPIDISA-N 1 2 411.524 0.687 20 0 HCADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000540010289 1075536551 /nfs/dbraw/zinc/53/65/51/1075536551.db2.gz FKMHQMMWJWZFIC-MOPGFXCFSA-N 1 2 424.567 0.653 20 0 HCADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000540010294 1075536586 /nfs/dbraw/zinc/53/65/86/1075536586.db2.gz FKMHQMMWJWZFIC-OALUTQOASA-N 1 2 424.567 0.653 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000540010298 1075536674 /nfs/dbraw/zinc/53/66/74/1075536674.db2.gz FKMHQMMWJWZFIC-RBUKOAKNSA-N 1 2 424.567 0.653 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000540010301 1075536657 /nfs/dbraw/zinc/53/66/57/1075536657.db2.gz FKMHQMMWJWZFIC-RTBURBONSA-N 1 2 424.567 0.653 20 0 HCADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000540011906 1075537151 /nfs/dbraw/zinc/53/71/51/1075537151.db2.gz BZGTXBBOENWLQZ-MSOLQXFVSA-N 1 2 410.540 0.611 20 0 HCADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000540011906 1075537146 /nfs/dbraw/zinc/53/71/46/1075537146.db2.gz BZGTXBBOENWLQZ-MSOLQXFVSA-N 1 2 410.540 0.611 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000540011913 1075536981 /nfs/dbraw/zinc/53/69/81/1075536981.db2.gz BZGTXBBOENWLQZ-QZTJIDSGSA-N 1 2 410.540 0.611 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000540011913 1075536972 /nfs/dbraw/zinc/53/69/72/1075536972.db2.gz BZGTXBBOENWLQZ-QZTJIDSGSA-N 1 2 410.540 0.611 20 0 HCADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000540011914 1075536946 /nfs/dbraw/zinc/53/69/46/1075536946.db2.gz BZGTXBBOENWLQZ-ROUUACIJSA-N 1 2 410.540 0.611 20 0 HCADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000540011914 1075536940 /nfs/dbraw/zinc/53/69/40/1075536940.db2.gz BZGTXBBOENWLQZ-ROUUACIJSA-N 1 2 410.540 0.611 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000540011915 1075537127 /nfs/dbraw/zinc/53/71/27/1075537127.db2.gz BZGTXBBOENWLQZ-ZWKOTPCHSA-N 1 2 410.540 0.611 20 0 HCADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000540011915 1075537123 /nfs/dbraw/zinc/53/71/23/1075537123.db2.gz BZGTXBBOENWLQZ-ZWKOTPCHSA-N 1 2 410.540 0.611 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)c2)CC1 ZINC000540019591 1075534733 /nfs/dbraw/zinc/53/47/33/1075534733.db2.gz BVZCUOWRLFFGHF-DENIHFKCSA-N 1 2 416.522 0.827 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)c2)CC1 ZINC000540019595 1075534863 /nfs/dbraw/zinc/53/48/63/1075534863.db2.gz BVZCUOWRLFFGHF-KNQAVFIVSA-N 1 2 416.522 0.827 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)c2)CC1 ZINC000540019596 1075534790 /nfs/dbraw/zinc/53/47/90/1075534790.db2.gz BVZCUOWRLFFGHF-SIKLNZKXSA-N 1 2 416.522 0.827 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)c2)CC1 ZINC000540019599 1075534717 /nfs/dbraw/zinc/53/47/17/1075534717.db2.gz BVZCUOWRLFFGHF-UGKGYDQZSA-N 1 2 416.522 0.827 20 0 HCADLO Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)cc2)c1=O ZINC000540031847 1075542981 /nfs/dbraw/zinc/54/29/81/1075542981.db2.gz AOOKFMLFCUIZNT-GOSISDBHSA-N 1 2 406.446 0.812 20 0 HCADLO Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)cc2)c1=O ZINC000540031847 1075542974 /nfs/dbraw/zinc/54/29/74/1075542974.db2.gz AOOKFMLFCUIZNT-GOSISDBHSA-N 1 2 406.446 0.812 20 0 HCADLO Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)cc2)c1=O ZINC000540031849 1075542930 /nfs/dbraw/zinc/54/29/30/1075542930.db2.gz AOOKFMLFCUIZNT-SFHVURJKSA-N 1 2 406.446 0.812 20 0 HCADLO Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)cc2)c1=O ZINC000540031849 1075542925 /nfs/dbraw/zinc/54/29/25/1075542925.db2.gz AOOKFMLFCUIZNT-SFHVURJKSA-N 1 2 406.446 0.812 20 0 HCADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000540032337 1075537899 /nfs/dbraw/zinc/53/78/99/1075537899.db2.gz CODZGIFJWAWONO-DYESRHJHSA-N 1 2 402.495 0.965 20 0 HCADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000540032338 1075537762 /nfs/dbraw/zinc/53/77/62/1075537762.db2.gz CODZGIFJWAWONO-LAUBAEHRSA-N 1 2 402.495 0.965 20 0 HCADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000540032339 1075537841 /nfs/dbraw/zinc/53/78/41/1075537841.db2.gz CODZGIFJWAWONO-UTKZUKDTSA-N 1 2 402.495 0.965 20 0 HCADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000540032340 1075537878 /nfs/dbraw/zinc/53/78/78/1075537878.db2.gz CODZGIFJWAWONO-UWJYYQICSA-N 1 2 402.495 0.965 20 0 HCADLO Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2)c1=O ZINC000540032579 1075537413 /nfs/dbraw/zinc/53/74/13/1075537413.db2.gz FWONOMQXEDJKIU-HNNXBMFYSA-N 1 2 407.434 0.300 20 0 HCADLO Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2)c1=O ZINC000540032582 1075537314 /nfs/dbraw/zinc/53/73/14/1075537314.db2.gz FWONOMQXEDJKIU-OAHLLOKOSA-N 1 2 407.434 0.300 20 0 HCADLO COc1ccc(C(=O)NCC[NH+]2CCN(c3nc4c(cnn4C)c(=O)[nH]3)CC2)cc1 ZINC000540033404 1075544267 /nfs/dbraw/zinc/54/42/67/1075544267.db2.gz JVKDFZIBRYYAOV-UHFFFAOYSA-N 1 2 411.466 0.630 20 0 HCADLO O=S(=O)(CC1CCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000540038527 1075546760 /nfs/dbraw/zinc/54/67/60/1075546760.db2.gz HQLKDUFSJXIARB-UHFFFAOYSA-N 1 2 402.542 0.253 20 0 HCADLO COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1OC ZINC000540038806 1075546714 /nfs/dbraw/zinc/54/67/14/1075546714.db2.gz QQKNPZSBKDOCAQ-UHFFFAOYSA-N 1 2 402.469 0.179 20 0 HCADLO COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1OC ZINC000540038806 1075546705 /nfs/dbraw/zinc/54/67/05/1075546705.db2.gz QQKNPZSBKDOCAQ-UHFFFAOYSA-N 1 2 402.469 0.179 20 0 HCADLO COC(=O)c1c(OC)ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1OC ZINC000540039725 1075547147 /nfs/dbraw/zinc/54/71/47/1075547147.db2.gz RAFKEHUJUPKOTE-CYBMUJFWSA-N 1 2 416.496 0.737 20 0 HCADLO COC(=O)c1c(OC)ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1OC ZINC000540039726 1075547187 /nfs/dbraw/zinc/54/71/87/1075547187.db2.gz RAFKEHUJUPKOTE-ZDUSSCGKSA-N 1 2 416.496 0.737 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@@H+](C)CCc2cnccn2)c(N)n(Cc2ccccc2)c1=O ZINC000540043099 1075548747 /nfs/dbraw/zinc/54/87/47/1075548747.db2.gz YZIKRYMYUFRWOM-UHFFFAOYSA-N 1 2 408.462 0.325 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@H+](C)CCc2cnccn2)c(N)n(Cc2ccccc2)c1=O ZINC000540043099 1075548744 /nfs/dbraw/zinc/54/87/44/1075548744.db2.gz YZIKRYMYUFRWOM-UHFFFAOYSA-N 1 2 408.462 0.325 20 0 HCADLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000540043672 1075548804 /nfs/dbraw/zinc/54/88/04/1075548804.db2.gz DFLKQOAEPWRQBL-UHFFFAOYSA-N 1 2 419.507 0.611 20 0 HCADLO C[N@H+](CCc1cnccn1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000540043672 1075548802 /nfs/dbraw/zinc/54/88/02/1075548802.db2.gz DFLKQOAEPWRQBL-UHFFFAOYSA-N 1 2 419.507 0.611 20 0 HCADLO CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000540054282 1075551302 /nfs/dbraw/zinc/55/13/02/1075551302.db2.gz XPUPHGCXOCLOMH-UHFFFAOYSA-N 1 2 404.515 0.733 20 0 HCADLO CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000540054282 1075551295 /nfs/dbraw/zinc/55/12/95/1075551295.db2.gz XPUPHGCXOCLOMH-UHFFFAOYSA-N 1 2 404.515 0.733 20 0 HCADLO C[C@@]1(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC000540058377 1075551702 /nfs/dbraw/zinc/55/17/02/1075551702.db2.gz MYFYSOHJVBTFTJ-GOSISDBHSA-N 1 2 411.528 0.402 20 0 HCADLO C[C@]1(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC000540058378 1075551648 /nfs/dbraw/zinc/55/16/48/1075551648.db2.gz MYFYSOHJVBTFTJ-SFHVURJKSA-N 1 2 411.528 0.402 20 0 HCADLO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000540065191 1075548734 /nfs/dbraw/zinc/54/87/34/1075548734.db2.gz NILLZGCCDDRHGZ-INIZCTEOSA-N 1 2 408.524 0.079 20 0 HCADLO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000540065191 1075548727 /nfs/dbraw/zinc/54/87/27/1075548727.db2.gz NILLZGCCDDRHGZ-INIZCTEOSA-N 1 2 408.524 0.079 20 0 HCADLO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000540065192 1075549196 /nfs/dbraw/zinc/54/91/96/1075549196.db2.gz NILLZGCCDDRHGZ-MRXNPFEDSA-N 1 2 408.524 0.079 20 0 HCADLO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000540065192 1075549188 /nfs/dbraw/zinc/54/91/88/1075549188.db2.gz NILLZGCCDDRHGZ-MRXNPFEDSA-N 1 2 408.524 0.079 20 0 HCADLO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c1 ZINC000540068051 1075553689 /nfs/dbraw/zinc/55/36/89/1075553689.db2.gz OSCBEPAZKOIYPK-UHFFFAOYSA-N 1 2 417.466 0.878 20 0 HCADLO COc1cc(OC)cc(OCCC[N@H+](C)Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c1 ZINC000540068051 1075553684 /nfs/dbraw/zinc/55/36/84/1075553684.db2.gz OSCBEPAZKOIYPK-UHFFFAOYSA-N 1 2 417.466 0.878 20 0 HCADLO COCc1cnc(C[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)s1 ZINC000540068937 1075553587 /nfs/dbraw/zinc/55/35/87/1075553587.db2.gz KOYWTSFBZCEPFJ-UHFFFAOYSA-N 1 2 411.553 0.926 20 0 HCADLO CCc1nn(C)c(OC)c1CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000540097765 1075563209 /nfs/dbraw/zinc/56/32/09/1075563209.db2.gz KQKVFDITPGZMBA-UHFFFAOYSA-N 1 2 413.486 0.700 20 0 HCADLO CS(=O)(=O)N1CCN(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000540116601 1075565412 /nfs/dbraw/zinc/56/54/12/1075565412.db2.gz OCFPWSLRBJCNQP-UHFFFAOYSA-N 1 2 409.556 0.655 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cn1 ZINC000540137869 1075575097 /nfs/dbraw/zinc/57/50/97/1075575097.db2.gz VAHGVCIQPJVHOF-KRWDZBQOSA-N 1 2 400.483 0.694 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cn1 ZINC000540137870 1075575074 /nfs/dbraw/zinc/57/50/74/1075575074.db2.gz VAHGVCIQPJVHOF-QGZVFWFLSA-N 1 2 400.483 0.694 20 0 HCADLO CN(C)[C@H](C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1c[nH+]cn1C ZINC000540167794 1075577524 /nfs/dbraw/zinc/57/75/24/1075577524.db2.gz WBAYTTNNIABRLW-IBGZPJMESA-N 1 2 400.483 0.932 20 0 HCADLO CN(C)[C@@H](C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1c[nH+]cn1C ZINC000540167795 1075577549 /nfs/dbraw/zinc/57/75/49/1075577549.db2.gz WBAYTTNNIABRLW-LJQANCHMSA-N 1 2 400.483 0.932 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCNC(=O)c3ccccc32)CC1 ZINC000540195974 1075582279 /nfs/dbraw/zinc/58/22/79/1075582279.db2.gz QUKZPRPNGFJTSQ-UHFFFAOYSA-N 1 2 420.477 0.262 20 0 HCADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000540197791 1075582692 /nfs/dbraw/zinc/58/26/92/1075582692.db2.gz MWTIUIZDMUWXSW-UHFFFAOYSA-N 1 2 402.467 0.496 20 0 HCADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000540197791 1075582689 /nfs/dbraw/zinc/58/26/89/1075582689.db2.gz MWTIUIZDMUWXSW-UHFFFAOYSA-N 1 2 402.467 0.496 20 0 HCADLO Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sc1C ZINC000540205117 1075581490 /nfs/dbraw/zinc/58/14/90/1075581490.db2.gz ODWHXYAXORHQQX-UHFFFAOYSA-N 1 2 422.598 0.163 20 0 HCADLO COc1c(C)cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000540211789 1075582702 /nfs/dbraw/zinc/58/27/02/1075582702.db2.gz XKUUONDYXFANIJ-UHFFFAOYSA-N 1 2 410.540 0.562 20 0 HCADLO NS(=O)(=O)CCN1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000540227329 1075585750 /nfs/dbraw/zinc/58/57/50/1075585750.db2.gz XOWVUHRFYAZDSN-UHFFFAOYSA-N 1 2 422.511 0.400 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)ccc2[nH+]1 ZINC000540233461 1075587987 /nfs/dbraw/zinc/58/79/87/1075587987.db2.gz OWOAJUCHZBAOAR-UHFFFAOYSA-N 1 2 419.449 0.607 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)ccc2[nH+]1 ZINC000540236000 1075588241 /nfs/dbraw/zinc/58/82/41/1075588241.db2.gz VHMYVGHJNASGFU-UHFFFAOYSA-N 1 2 412.494 0.738 20 0 HCADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000540239619 1075588605 /nfs/dbraw/zinc/58/86/05/1075588605.db2.gz PRQRZDIPWRMXFL-UHFFFAOYSA-N 1 2 414.528 0.847 20 0 HCADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000540239619 1075588603 /nfs/dbraw/zinc/58/86/03/1075588603.db2.gz PRQRZDIPWRMXFL-UHFFFAOYSA-N 1 2 414.528 0.847 20 0 HCADLO CC1(C)C[N@@H+](CCNC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)CCO1 ZINC000540239643 1075588639 /nfs/dbraw/zinc/58/86/39/1075588639.db2.gz AYQOBFNIFKYGKH-UHFFFAOYSA-N 1 2 414.528 0.847 20 0 HCADLO CC1(C)C[N@H+](CCNC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)CCO1 ZINC000540239643 1075588637 /nfs/dbraw/zinc/58/86/37/1075588637.db2.gz AYQOBFNIFKYGKH-UHFFFAOYSA-N 1 2 414.528 0.847 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000540245085 1075589981 /nfs/dbraw/zinc/58/99/81/1075589981.db2.gz MCKYTNMLJHMKLB-INIZCTEOSA-N 1 2 417.535 0.998 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000540245085 1075589976 /nfs/dbraw/zinc/58/99/76/1075589976.db2.gz MCKYTNMLJHMKLB-INIZCTEOSA-N 1 2 417.535 0.998 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000540245086 1075590043 /nfs/dbraw/zinc/59/00/43/1075590043.db2.gz MCKYTNMLJHMKLB-MRXNPFEDSA-N 1 2 417.535 0.998 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000540245086 1075590038 /nfs/dbraw/zinc/59/00/38/1075590038.db2.gz MCKYTNMLJHMKLB-MRXNPFEDSA-N 1 2 417.535 0.998 20 0 HCADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000540258382 1075591636 /nfs/dbraw/zinc/59/16/36/1075591636.db2.gz GMIKHZYTGPANDN-UHFFFAOYSA-N 1 2 421.479 0.854 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000540266438 1075595144 /nfs/dbraw/zinc/59/51/44/1075595144.db2.gz ABNXBJLNCUPZKV-UHFFFAOYSA-N 1 2 418.903 0.441 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1NS(C)(=O)=O ZINC000540266669 1075595099 /nfs/dbraw/zinc/59/50/99/1075595099.db2.gz BUWFJQDIIREUJN-HNNXBMFYSA-N 1 2 412.512 0.804 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1NS(C)(=O)=O ZINC000540266669 1075595091 /nfs/dbraw/zinc/59/50/91/1075595091.db2.gz BUWFJQDIIREUJN-HNNXBMFYSA-N 1 2 412.512 0.804 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1NS(C)(=O)=O ZINC000540266670 1075595076 /nfs/dbraw/zinc/59/50/76/1075595076.db2.gz BUWFJQDIIREUJN-OAHLLOKOSA-N 1 2 412.512 0.804 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1NS(C)(=O)=O ZINC000540266670 1075595071 /nfs/dbraw/zinc/59/50/71/1075595071.db2.gz BUWFJQDIIREUJN-OAHLLOKOSA-N 1 2 412.512 0.804 20 0 HCADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000540270893 1075604263 /nfs/dbraw/zinc/60/42/63/1075604263.db2.gz KPORGSAVUSXOSJ-UHFFFAOYSA-N 1 2 407.496 0.323 20 0 HCADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000540271192 1075603848 /nfs/dbraw/zinc/60/38/48/1075603848.db2.gz QBEACEYTJMMLON-UHFFFAOYSA-N 1 2 403.420 0.159 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000540271399 1075605102 /nfs/dbraw/zinc/60/51/02/1075605102.db2.gz QJCBRLXLBPBWKZ-AWEZNQCLSA-N 1 2 400.501 0.457 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000540271401 1075605126 /nfs/dbraw/zinc/60/51/26/1075605126.db2.gz QJCBRLXLBPBWKZ-CQSZACIVSA-N 1 2 400.501 0.457 20 0 HCADLO COC(=O)c1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)cc(S(C)(=O)=O)c1 ZINC000540272989 1075605455 /nfs/dbraw/zinc/60/54/55/1075605455.db2.gz RWUVPFLFCWJJLE-UHFFFAOYSA-N 1 2 420.447 0.439 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)NCCS(=O)(=O)NCc3ccccc3)ccc2[nH+]1 ZINC000540273709 1075606236 /nfs/dbraw/zinc/60/62/36/1075606236.db2.gz RAIJDDYKZWNPQE-UHFFFAOYSA-N 1 2 415.475 0.817 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)ccc2[nH+]1 ZINC000540274605 1075606570 /nfs/dbraw/zinc/60/65/70/1075606570.db2.gz BHPIJWZYABEXJN-AWEZNQCLSA-N 1 2 412.402 0.866 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)ccc2[nH+]1 ZINC000540274606 1075606607 /nfs/dbraw/zinc/60/66/07/1075606607.db2.gz BHPIJWZYABEXJN-CQSZACIVSA-N 1 2 412.402 0.866 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)CC1 ZINC000540274678 1075606929 /nfs/dbraw/zinc/60/69/29/1075606929.db2.gz DERYRNSSROSVMT-UHFFFAOYSA-N 1 2 421.498 0.153 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)CC1 ZINC000540274678 1075606928 /nfs/dbraw/zinc/60/69/28/1075606928.db2.gz DERYRNSSROSVMT-UHFFFAOYSA-N 1 2 421.498 0.153 20 0 HCADLO CS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1Cl ZINC000540275561 1075607292 /nfs/dbraw/zinc/60/72/92/1075607292.db2.gz LGHJYOVNPANZCJ-UHFFFAOYSA-N 1 2 400.888 0.957 20 0 HCADLO COc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1NS(C)(=O)=O ZINC000540276125 1075606942 /nfs/dbraw/zinc/60/69/42/1075606942.db2.gz NSSBHPBNBOVFOR-UHFFFAOYSA-N 1 2 409.468 0.798 20 0 HCADLO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000540276328 1075597852 /nfs/dbraw/zinc/59/78/52/1075597852.db2.gz VTHOUKLXFWKVLA-UHFFFAOYSA-N 1 2 414.510 0.984 20 0 HCADLO Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000540277568 1075598690 /nfs/dbraw/zinc/59/86/90/1075598690.db2.gz ZXXHZDYEHQCSPD-UHFFFAOYSA-N 1 2 415.469 0.710 20 0 HCADLO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000540278847 1075599040 /nfs/dbraw/zinc/59/90/40/1075599040.db2.gz MVFFTROBBBGASM-UHFFFAOYSA-N 1 2 408.409 0.719 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)ccc2[nH+]1 ZINC000540279228 1075598627 /nfs/dbraw/zinc/59/86/27/1075598627.db2.gz DCTVLXNVYJLJCS-UHFFFAOYSA-N 1 2 407.434 0.424 20 0 HCADLO NC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(F)c1 ZINC000540281499 1075600933 /nfs/dbraw/zinc/60/09/33/1075600933.db2.gz YZDSOLRXTMURCY-UHFFFAOYSA-N 1 2 419.457 0.020 20 0 HCADLO NC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(F)c1 ZINC000540281499 1075600930 /nfs/dbraw/zinc/60/09/30/1075600930.db2.gz YZDSOLRXTMURCY-UHFFFAOYSA-N 1 2 419.457 0.020 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)ccc2[nH+]1 ZINC000540283655 1075601683 /nfs/dbraw/zinc/60/16/83/1075601683.db2.gz NLOLKNHOEUCEGW-UHFFFAOYSA-N 1 2 415.475 0.984 20 0 HCADLO CCc1cnccc1[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000540286267 1075602814 /nfs/dbraw/zinc/60/28/14/1075602814.db2.gz KAENQVARQBJYRH-HNNXBMFYSA-N 1 2 400.483 0.989 20 0 HCADLO CCc1cnccc1[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000540286272 1075602774 /nfs/dbraw/zinc/60/27/74/1075602774.db2.gz KAENQVARQBJYRH-OAHLLOKOSA-N 1 2 400.483 0.989 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000540289763 1075615135 /nfs/dbraw/zinc/61/51/35/1075615135.db2.gz RJLGXWPKOFAWJU-HSALFYBXSA-N 1 2 409.490 0.998 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000540289766 1075615185 /nfs/dbraw/zinc/61/51/85/1075615185.db2.gz RJLGXWPKOFAWJU-XUVXKRRUSA-N 1 2 409.490 0.998 20 0 HCADLO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)C2)CC1 ZINC000540293066 1075616794 /nfs/dbraw/zinc/61/67/94/1075616794.db2.gz SGNANOWTFPYHPC-AWEZNQCLSA-N 1 2 408.572 0.823 20 0 HCADLO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)C2)CC1 ZINC000540293067 1075616725 /nfs/dbraw/zinc/61/67/25/1075616725.db2.gz SGNANOWTFPYHPC-CQSZACIVSA-N 1 2 408.572 0.823 20 0 HCADLO COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000540294085 1075617651 /nfs/dbraw/zinc/61/76/51/1075617651.db2.gz VKUOFLUDOWFUOY-CXAGYDPISA-N 1 2 404.467 0.771 20 0 HCADLO COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000540294086 1075617543 /nfs/dbraw/zinc/61/75/43/1075617543.db2.gz VKUOFLUDOWFUOY-DYVFJYSZSA-N 1 2 404.467 0.771 20 0 HCADLO COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000540294087 1075617487 /nfs/dbraw/zinc/61/74/87/1075617487.db2.gz VKUOFLUDOWFUOY-GUYCJALGSA-N 1 2 404.467 0.771 20 0 HCADLO COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000540294088 1075617691 /nfs/dbraw/zinc/61/76/91/1075617691.db2.gz VKUOFLUDOWFUOY-SUMWQHHRSA-N 1 2 404.467 0.771 20 0 HCADLO Cc1nn(C)c(C)c1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000540295608 1075608368 /nfs/dbraw/zinc/60/83/68/1075608368.db2.gz JVXVBOFXNWBOOS-UHFFFAOYSA-N 1 2 400.531 0.881 20 0 HCADLO COC(=O)c1ccc([C@H](C)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000540298182 1075609127 /nfs/dbraw/zinc/60/91/27/1075609127.db2.gz DSYHWYFRQOTRPN-AWEZNQCLSA-N 1 2 400.501 0.237 20 0 HCADLO COC(=O)c1ccc([C@@H](C)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000540298183 1075609027 /nfs/dbraw/zinc/60/90/27/1075609027.db2.gz DSYHWYFRQOTRPN-CQSZACIVSA-N 1 2 400.501 0.237 20 0 HCADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000540298632 1075610670 /nfs/dbraw/zinc/61/06/70/1075610670.db2.gz SKKQVOONYPLMHD-CVEARBPZSA-N 1 2 409.508 0.874 20 0 HCADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000540298632 1075610668 /nfs/dbraw/zinc/61/06/68/1075610668.db2.gz SKKQVOONYPLMHD-CVEARBPZSA-N 1 2 409.508 0.874 20 0 HCADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000540298633 1075610738 /nfs/dbraw/zinc/61/07/38/1075610738.db2.gz SKKQVOONYPLMHD-HOTGVXAUSA-N 1 2 409.508 0.874 20 0 HCADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000540298633 1075610734 /nfs/dbraw/zinc/61/07/34/1075610734.db2.gz SKKQVOONYPLMHD-HOTGVXAUSA-N 1 2 409.508 0.874 20 0 HCADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000540298634 1075610726 /nfs/dbraw/zinc/61/07/26/1075610726.db2.gz SKKQVOONYPLMHD-HZPDHXFCSA-N 1 2 409.508 0.874 20 0 HCADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000540298634 1075610720 /nfs/dbraw/zinc/61/07/20/1075610720.db2.gz SKKQVOONYPLMHD-HZPDHXFCSA-N 1 2 409.508 0.874 20 0 HCADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000540298635 1075610679 /nfs/dbraw/zinc/61/06/79/1075610679.db2.gz SKKQVOONYPLMHD-JKSUJKDBSA-N 1 2 409.508 0.874 20 0 HCADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000540298635 1075610678 /nfs/dbraw/zinc/61/06/78/1075610678.db2.gz SKKQVOONYPLMHD-JKSUJKDBSA-N 1 2 409.508 0.874 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)c1)[NH+]1CCOCC1 ZINC000540298954 1075610330 /nfs/dbraw/zinc/61/03/30/1075610330.db2.gz BQAPJNDZTCWCLH-HNNXBMFYSA-N 1 2 418.494 0.334 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)c1)[NH+]1CCOCC1 ZINC000540298955 1075610352 /nfs/dbraw/zinc/61/03/52/1075610352.db2.gz BQAPJNDZTCWCLH-OAHLLOKOSA-N 1 2 418.494 0.334 20 0 HCADLO CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000540299899 1075611059 /nfs/dbraw/zinc/61/10/59/1075611059.db2.gz UZGFAILKNCGMCT-UHFFFAOYSA-N 1 2 423.473 0.856 20 0 HCADLO COC(=O)c1cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc(S(C)(=O)=O)c1 ZINC000540303000 1075612147 /nfs/dbraw/zinc/61/21/47/1075612147.db2.gz FQPXQXOZSIUAET-UHFFFAOYSA-N 1 2 422.463 0.560 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000540303015 1075612208 /nfs/dbraw/zinc/61/22/08/1075612208.db2.gz FYDZTKAOOHEMPT-JTQLQIEISA-N 1 2 408.256 0.836 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000540303017 1075612555 /nfs/dbraw/zinc/61/25/55/1075612555.db2.gz FYDZTKAOOHEMPT-SNVBAGLBSA-N 1 2 408.256 0.836 20 0 HCADLO CCN(C1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1)S(C)(=O)=O ZINC000540306036 1075621049 /nfs/dbraw/zinc/62/10/49/1075621049.db2.gz BUPJEXYICMGKAJ-UHFFFAOYSA-N 1 2 407.496 0.854 20 0 HCADLO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000540308512 1075623902 /nfs/dbraw/zinc/62/39/02/1075623902.db2.gz XYRPEPPABLMESC-UHFFFAOYSA-N 1 2 423.495 0.092 20 0 HCADLO O=C(NCCc1nc[nH]n1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000540310028 1075624394 /nfs/dbraw/zinc/62/43/94/1075624394.db2.gz MHPGBQZZWZJBEN-UHFFFAOYSA-N 1 2 411.466 0.389 20 0 HCADLO CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cn1C ZINC000540331057 1075632062 /nfs/dbraw/zinc/63/20/62/1075632062.db2.gz IZOLHBPZHSAUJK-UHFFFAOYSA-N 1 2 406.512 0.675 20 0 HCADLO CN(C)C(=O)c1cc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cn1C ZINC000540334184 1075628121 /nfs/dbraw/zinc/62/81/21/1075628121.db2.gz ZFHTUZPEHYYVNL-UHFFFAOYSA-N 1 2 419.551 0.827 20 0 HCADLO CN(C)C(=O)c1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cn1C ZINC000540339113 1075634129 /nfs/dbraw/zinc/63/41/29/1075634129.db2.gz PDKDBFIODVLNPT-UHFFFAOYSA-N 1 2 400.545 0.706 20 0 HCADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000540382960 1075646439 /nfs/dbraw/zinc/64/64/39/1075646439.db2.gz NLPAXTHPTMILPP-AWEZNQCLSA-N 1 2 408.503 0.353 20 0 HCADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000540382963 1075646494 /nfs/dbraw/zinc/64/64/94/1075646494.db2.gz NLPAXTHPTMILPP-CQSZACIVSA-N 1 2 408.503 0.353 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)[NH+]1CCOCC1 ZINC000540384041 1075647765 /nfs/dbraw/zinc/64/77/65/1075647765.db2.gz ZSRHKXLCMBRDCN-HNNXBMFYSA-N 1 2 419.461 0.603 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)[NH+]1CCOCC1 ZINC000540384045 1075647778 /nfs/dbraw/zinc/64/77/78/1075647778.db2.gz ZSRHKXLCMBRDCN-OAHLLOKOSA-N 1 2 419.461 0.603 20 0 HCADLO CN(Cc1nccn1C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000540387321 1075649739 /nfs/dbraw/zinc/64/97/39/1075649739.db2.gz WIPFJTDHTXYNKX-UHFFFAOYSA-N 1 2 421.527 0.109 20 0 HCADLO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000540387683 1075650365 /nfs/dbraw/zinc/65/03/65/1075650365.db2.gz IQMHNTFYAUOQKQ-NXEZZACHSA-N 1 2 408.430 0.745 20 0 HCADLO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000540387684 1075650347 /nfs/dbraw/zinc/65/03/47/1075650347.db2.gz IQMHNTFYAUOQKQ-UWVGGRQHSA-N 1 2 408.430 0.745 20 0 HCADLO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000540387685 1075650309 /nfs/dbraw/zinc/65/03/09/1075650309.db2.gz IQMHNTFYAUOQKQ-VHSXEESVSA-N 1 2 408.430 0.745 20 0 HCADLO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000540387686 1075650292 /nfs/dbraw/zinc/65/02/92/1075650292.db2.gz IQMHNTFYAUOQKQ-ZJUUUORDSA-N 1 2 408.430 0.745 20 0 HCADLO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)O1 ZINC000540399293 1075664851 /nfs/dbraw/zinc/66/48/51/1075664851.db2.gz XEGPGYGRFNYBGW-AABGKKOBSA-N 1 2 418.538 0.865 20 0 HCADLO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)O1 ZINC000540399297 1075664686 /nfs/dbraw/zinc/66/46/86/1075664686.db2.gz XEGPGYGRFNYBGW-AQNXPRMDSA-N 1 2 418.538 0.865 20 0 HCADLO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)O1 ZINC000540399299 1075664843 /nfs/dbraw/zinc/66/48/43/1075664843.db2.gz XEGPGYGRFNYBGW-UFYCRDLUSA-N 1 2 418.538 0.865 20 0 HCADLO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)O1 ZINC000540399302 1075664878 /nfs/dbraw/zinc/66/48/78/1075664878.db2.gz XEGPGYGRFNYBGW-ZCNNSNEGSA-N 1 2 418.538 0.865 20 0 HCADLO CN1C(=O)NC2(CCN(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)C1=O ZINC000540410776 1075662460 /nfs/dbraw/zinc/66/24/60/1075662460.db2.gz ATRLPCXYSRNWHX-KRWDZBQOSA-N 1 2 415.494 0.613 20 0 HCADLO CN1C(=O)NC2(CCN(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)C1=O ZINC000540410776 1075662457 /nfs/dbraw/zinc/66/24/57/1075662457.db2.gz ATRLPCXYSRNWHX-KRWDZBQOSA-N 1 2 415.494 0.613 20 0 HCADLO CN1C(=O)NC2(CCN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)C1=O ZINC000540410781 1075662484 /nfs/dbraw/zinc/66/24/84/1075662484.db2.gz ATRLPCXYSRNWHX-QGZVFWFLSA-N 1 2 415.494 0.613 20 0 HCADLO CN1C(=O)NC2(CCN(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)C1=O ZINC000540410781 1075662480 /nfs/dbraw/zinc/66/24/80/1075662480.db2.gz ATRLPCXYSRNWHX-QGZVFWFLSA-N 1 2 415.494 0.613 20 0 HCADLO C[NH+](C)C1CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 ZINC000540419659 1075666137 /nfs/dbraw/zinc/66/61/37/1075666137.db2.gz KHOGVFBMPCACJI-HNNXBMFYSA-N 1 2 401.916 0.646 20 0 HCADLO C[NH+](C)C1CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 ZINC000540419661 1075666146 /nfs/dbraw/zinc/66/61/46/1075666146.db2.gz KHOGVFBMPCACJI-OAHLLOKOSA-N 1 2 401.916 0.646 20 0 HCADLO Cc1cc(N2CCN(C(=O)Nc3nc(CS(C)(=O)=O)no3)CC2)nc(C(C)C)[nH+]1 ZINC000540437776 1075673696 /nfs/dbraw/zinc/67/36/96/1075673696.db2.gz MITHIGMINTWHPB-UHFFFAOYSA-N 1 2 423.499 0.612 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)c2nc3ncc(Br)cn3n2)[C@@H](C)C1 ZINC000540439171 1075669936 /nfs/dbraw/zinc/66/99/36/1075669936.db2.gz HSRNTCCRVKTNNN-JTQLQIEISA-N 1 2 411.260 0.596 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2nc3ncc(Br)cn3n2)[C@@H](C)C1 ZINC000540439171 1075669933 /nfs/dbraw/zinc/66/99/33/1075669933.db2.gz HSRNTCCRVKTNNN-JTQLQIEISA-N 1 2 411.260 0.596 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)c2nc3ncc(Br)cn3n2)[C@H](C)C1 ZINC000540439184 1075670434 /nfs/dbraw/zinc/67/04/34/1075670434.db2.gz HSRNTCCRVKTNNN-SNVBAGLBSA-N 1 2 411.260 0.596 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2nc3ncc(Br)cn3n2)[C@H](C)C1 ZINC000540439184 1075670432 /nfs/dbraw/zinc/67/04/32/1075670432.db2.gz HSRNTCCRVKTNNN-SNVBAGLBSA-N 1 2 411.260 0.596 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)[C@H](C)C1 ZINC000540441668 1075670906 /nfs/dbraw/zinc/67/09/06/1075670906.db2.gz NWOQMPLMLBFPSE-GFCCVEGCSA-N 1 2 401.485 0.548 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)[C@H](C)C1 ZINC000540441668 1075670905 /nfs/dbraw/zinc/67/09/05/1075670905.db2.gz NWOQMPLMLBFPSE-GFCCVEGCSA-N 1 2 401.485 0.548 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)[C@@H](C)C1 ZINC000540441671 1075670887 /nfs/dbraw/zinc/67/08/87/1075670887.db2.gz NWOQMPLMLBFPSE-LBPRGKRZSA-N 1 2 401.485 0.548 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)[C@@H](C)C1 ZINC000540441671 1075670885 /nfs/dbraw/zinc/67/08/85/1075670885.db2.gz NWOQMPLMLBFPSE-LBPRGKRZSA-N 1 2 401.485 0.548 20 0 HCADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540464347 1075675662 /nfs/dbraw/zinc/67/56/62/1075675662.db2.gz RJYRPQIQUVDWPV-DLBZAZTESA-N 1 2 404.515 0.119 20 0 HCADLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000540464347 1075675659 /nfs/dbraw/zinc/67/56/59/1075675659.db2.gz RJYRPQIQUVDWPV-DLBZAZTESA-N 1 2 404.515 0.119 20 0 HCADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540464354 1075675674 /nfs/dbraw/zinc/67/56/74/1075675674.db2.gz RJYRPQIQUVDWPV-IAGOWNOFSA-N 1 2 404.515 0.119 20 0 HCADLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000540464354 1075675672 /nfs/dbraw/zinc/67/56/72/1075675672.db2.gz 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CC(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)(C)C1 ZINC000540470618 1075686503 /nfs/dbraw/zinc/68/65/03/1075686503.db2.gz LUCIAGZYPGYVGV-UHFFFAOYSA-N 1 2 401.511 0.980 20 0 HCADLO CS(=O)(=O)C[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000540477258 1075680388 /nfs/dbraw/zinc/68/03/88/1075680388.db2.gz ADCQDTSWWJCXFE-KRWDZBQOSA-N 1 2 419.503 0.940 20 0 HCADLO CS(=O)(=O)C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000540477259 1075680500 /nfs/dbraw/zinc/68/05/00/1075680500.db2.gz ADCQDTSWWJCXFE-QGZVFWFLSA-N 1 2 419.503 0.940 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000540478312 1075680893 /nfs/dbraw/zinc/68/08/93/1075680893.db2.gz HDXGYKDXWMAQMD-HWOWSKLDSA-N 1 2 403.545 0.580 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000540478312 1075680890 /nfs/dbraw/zinc/68/08/90/1075680890.db2.gz HDXGYKDXWMAQMD-HWOWSKLDSA-N 1 2 403.545 0.580 20 0 HCADLO 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ZINC000540576281 1075720545 /nfs/dbraw/zinc/72/05/45/1075720545.db2.gz ZDSVTXNSSIBVRB-OXJNMPFZSA-N 1 2 403.483 0.075 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCC[C@]3(C)CO)ccn2)CC1 ZINC000540576282 1075720920 /nfs/dbraw/zinc/72/09/20/1075720920.db2.gz ZDSVTXNSSIBVRB-OXQOHEQNSA-N 1 2 403.483 0.075 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCC[C@@]3(C)CO)ccn2)CC1 ZINC000540576283 1075721023 /nfs/dbraw/zinc/72/10/23/1075721023.db2.gz ZDSVTXNSSIBVRB-UZLBHIALSA-N 1 2 403.483 0.075 20 0 HCADLO CC(C)Cn1cc(NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cn1 ZINC000540576658 1075720977 /nfs/dbraw/zinc/72/09/77/1075720977.db2.gz JCOAPBLQEAFEFI-UHFFFAOYSA-N 1 2 413.482 0.899 20 0 HCADLO CSC[C@@H]1CCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540577169 1075721521 /nfs/dbraw/zinc/72/15/21/1075721521.db2.gz ALBDUTWPRQNIEB-HNNXBMFYSA-N 1 2 405.524 0.762 20 0 HCADLO CSC[C@H]1CCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540577171 1075721311 /nfs/dbraw/zinc/72/13/11/1075721311.db2.gz ALBDUTWPRQNIEB-OAHLLOKOSA-N 1 2 405.524 0.762 20 0 HCADLO CC[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H](C)O1 ZINC000540577197 1075721463 /nfs/dbraw/zinc/72/14/63/1075721463.db2.gz CZILEPOHBCOZDW-GDBMZVCRSA-N 1 2 403.483 0.434 20 0 HCADLO CC[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000540577200 1075721412 /nfs/dbraw/zinc/72/14/12/1075721412.db2.gz CZILEPOHBCOZDW-GOEBONIOSA-N 1 2 403.483 0.434 20 0 HCADLO CC[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000540577201 1075721247 /nfs/dbraw/zinc/72/12/47/1075721247.db2.gz CZILEPOHBCOZDW-HOCLYGCPSA-N 1 2 403.483 0.434 20 0 HCADLO CC[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H](C)O1 ZINC000540577202 1075721327 /nfs/dbraw/zinc/72/13/27/1075721327.db2.gz CZILEPOHBCOZDW-ZBFHGGJFSA-N 1 2 403.483 0.434 20 0 HCADLO C[C@H](C[C@H]1CCCO1)NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540577400 1075721226 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C[C@@H]1SCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@H]1C ZINC000540580080 1075723551 /nfs/dbraw/zinc/72/35/51/1075723551.db2.gz WKBNBOMQMVOQMR-KBPBESRZSA-N 1 2 405.524 0.760 20 0 HCADLO C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540580081 1075723428 /nfs/dbraw/zinc/72/34/28/1075723428.db2.gz WKBNBOMQMVOQMR-KGLIPLIRSA-N 1 2 405.524 0.760 20 0 HCADLO C[C@H]1SCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@H]1C ZINC000540580082 1075723498 /nfs/dbraw/zinc/72/34/98/1075723498.db2.gz WKBNBOMQMVOQMR-UONOGXRCSA-N 1 2 405.524 0.760 20 0 HCADLO C[C@H]1SCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@@H]1C ZINC000540580083 1075723656 /nfs/dbraw/zinc/72/36/56/1075723656.db2.gz WKBNBOMQMVOQMR-ZIAGYGMSSA-N 1 2 405.524 0.760 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCC3(CCO)CCCC3)ccn2)CC1 ZINC000540580106 1075723441 /nfs/dbraw/zinc/72/34/41/1075723441.db2.gz WYJUGGBWFDMYLS-UHFFFAOYSA-N 1 2 417.510 0.467 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCc3ccc(O)c(F)c3)ccn2)CC1 ZINC000540580612 1075723926 /nfs/dbraw/zinc/72/39/26/1075723926.db2.gz UVIDXMRSNMFYRO-UHFFFAOYSA-N 1 2 415.425 0.569 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCc3ccc4c(c3)CCO4)ccn2)CC1 ZINC000540580912 1075724337 /nfs/dbraw/zinc/72/43/37/1075724337.db2.gz WHTKUXSSZRZLPZ-UHFFFAOYSA-N 1 2 423.473 0.659 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC4(C3)CCOCC4)ccn2)CC1 ZINC000540581932 1075725070 /nfs/dbraw/zinc/72/50/70/1075725070.db2.gz MQBVSAQQHLDAFW-UHFFFAOYSA-N 1 2 415.494 0.437 20 0 HCADLO CCC(CC)(CO)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540582912 1075725739 /nfs/dbraw/zinc/72/57/39/1075725739.db2.gz ZRYAVPGDWTZLCG-UHFFFAOYSA-N 1 2 405.499 0.323 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCc3ccsc3)ccn2)CC1 ZINC000540584562 1075726948 /nfs/dbraw/zinc/72/69/48/1075726948.db2.gz PKDOBYLLIIFNQQ-UHFFFAOYSA-N 1 2 401.492 0.828 20 0 HCADLO CC(C)CSCCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540584597 1075726904 /nfs/dbraw/zinc/72/69/04/1075726904.db2.gz AQPWKUCNELZBMV-UHFFFAOYSA-N 1 2 407.540 0.913 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CCO[C@@H]3C3CC3)ccn2)CC1 ZINC000540584765 1075727029 /nfs/dbraw/zinc/72/70/29/1075727029.db2.gz RMVVRVFITZTKBL-DOTOQJQBSA-N 1 2 401.467 0.091 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCO[C@@H]3C3CC3)ccn2)CC1 ZINC000540584769 1075726869 /nfs/dbraw/zinc/72/68/69/1075726869.db2.gz RMVVRVFITZTKBL-NVXWUHKLSA-N 1 2 401.467 0.091 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CCO[C@H]3C3CC3)ccn2)CC1 ZINC000540584772 1075726979 /nfs/dbraw/zinc/72/69/79/1075726979.db2.gz RMVVRVFITZTKBL-RDJZCZTQSA-N 1 2 401.467 0.091 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCO[C@H]3C3CC3)ccn2)CC1 ZINC000540584775 1075726931 /nfs/dbraw/zinc/72/69/31/1075726931.db2.gz RMVVRVFITZTKBL-WBVHZDCISA-N 1 2 401.467 0.091 20 0 HCADLO C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540585057 1075726485 /nfs/dbraw/zinc/72/64/85/1075726485.db2.gz UCBGMBMZDAYHEF-GDBMZVCRSA-N 1 2 403.483 0.170 20 0 HCADLO C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540585058 1075726553 /nfs/dbraw/zinc/72/65/53/1075726553.db2.gz UCBGMBMZDAYHEF-GOEBONIOSA-N 1 2 403.483 0.170 20 0 HCADLO C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540585059 1075726452 /nfs/dbraw/zinc/72/64/52/1075726452.db2.gz UCBGMBMZDAYHEF-HOCLYGCPSA-N 1 2 403.483 0.170 20 0 HCADLO C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540585060 1075726567 /nfs/dbraw/zinc/72/65/67/1075726567.db2.gz UCBGMBMZDAYHEF-ZBFHGGJFSA-N 1 2 403.483 0.170 20 0 HCADLO COCCN(CC(C)C)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540586437 1075717603 /nfs/dbraw/zinc/71/76/03/1075717603.db2.gz QKTLHGQKUHFZSV-UHFFFAOYSA-N 1 2 405.499 0.539 20 0 HCADLO CN(C[C@@H]1CCCCO1)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540586794 1075733386 /nfs/dbraw/zinc/73/33/86/1075733386.db2.gz VYYIICFMUGYHGQ-INIZCTEOSA-N 1 2 403.483 0.435 20 0 HCADLO CN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540586796 1075733540 /nfs/dbraw/zinc/73/35/40/1075733540.db2.gz VYYIICFMUGYHGQ-MRXNPFEDSA-N 1 2 403.483 0.435 20 0 HCADLO CC[C@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H]1CCCO1 ZINC000540586867 1075733450 /nfs/dbraw/zinc/73/34/50/1075733450.db2.gz XHTMVOCRGNTDQH-DOTOQJQBSA-N 1 2 403.483 0.482 20 0 HCADLO CC[C@@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H]1CCCO1 ZINC000540586869 1075733591 /nfs/dbraw/zinc/73/35/91/1075733591.db2.gz XHTMVOCRGNTDQH-NVXWUHKLSA-N 1 2 403.483 0.482 20 0 HCADLO CC[C@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000540586872 1075733371 /nfs/dbraw/zinc/73/33/71/1075733371.db2.gz XHTMVOCRGNTDQH-RDJZCZTQSA-N 1 2 403.483 0.482 20 0 HCADLO CC[C@@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000540586874 1075733430 /nfs/dbraw/zinc/73/34/30/1075733430.db2.gz XHTMVOCRGNTDQH-WBVHZDCISA-N 1 2 403.483 0.482 20 0 HCADLO Cc1oc(S(N)(=O)=O)cc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000540600306 1075731103 /nfs/dbraw/zinc/73/11/03/1075731103.db2.gz KLQQFXBMPGOENH-UHFFFAOYSA-N 1 2 410.471 0.927 20 0 HCADLO Cc1oc(S(N)(=O)=O)cc1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000540615094 1075739025 /nfs/dbraw/zinc/73/90/25/1075739025.db2.gz BZGDPJNMBNLWRO-UHFFFAOYSA-N 1 2 423.491 0.876 20 0 HCADLO C[N@H+]1CC[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540619385 1075740507 /nfs/dbraw/zinc/74/05/07/1075740507.db2.gz ATWODXMKCYHTAO-GDBMZVCRSA-N 1 2 415.878 0.885 20 0 HCADLO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540619385 1075740506 /nfs/dbraw/zinc/74/05/06/1075740506.db2.gz ATWODXMKCYHTAO-GDBMZVCRSA-N 1 2 415.878 0.885 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540619386 1075740517 /nfs/dbraw/zinc/74/05/17/1075740517.db2.gz ATWODXMKCYHTAO-GOEBONIOSA-N 1 2 415.878 0.885 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540619386 1075740516 /nfs/dbraw/zinc/74/05/16/1075740516.db2.gz ATWODXMKCYHTAO-GOEBONIOSA-N 1 2 415.878 0.885 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540619387 1075740496 /nfs/dbraw/zinc/74/04/96/1075740496.db2.gz ATWODXMKCYHTAO-HOCLYGCPSA-N 1 2 415.878 0.885 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540619387 1075740493 /nfs/dbraw/zinc/74/04/93/1075740493.db2.gz ATWODXMKCYHTAO-HOCLYGCPSA-N 1 2 415.878 0.885 20 0 HCADLO C[N@H+]1CC[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540619388 1075740512 /nfs/dbraw/zinc/74/05/12/1075740512.db2.gz ATWODXMKCYHTAO-ZBFHGGJFSA-N 1 2 415.878 0.885 20 0 HCADLO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540619388 1075740511 /nfs/dbraw/zinc/74/05/11/1075740511.db2.gz ATWODXMKCYHTAO-ZBFHGGJFSA-N 1 2 415.878 0.885 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000540619710 1075741588 /nfs/dbraw/zinc/74/15/88/1075741588.db2.gz KVQQVAMBLZWLEC-UHFFFAOYSA-N 1 2 423.926 0.934 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000540621406 1075741955 /nfs/dbraw/zinc/74/19/55/1075741955.db2.gz ZXIPKJZKWFIVEU-UHFFFAOYSA-N 1 2 417.491 0.645 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)o1 ZINC000540623517 1075748278 /nfs/dbraw/zinc/74/82/78/1075748278.db2.gz CXOQLXMMHGUQJT-UHFFFAOYSA-N 1 2 421.479 0.565 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccn2)CC1 ZINC000540623761 1075749152 /nfs/dbraw/zinc/74/91/52/1075749152.db2.gz MJQZTGYBVFTBCR-HOTGVXAUSA-N 1 2 413.478 0.583 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccn2)CC1 ZINC000540623763 1075749251 /nfs/dbraw/zinc/74/92/51/1075749251.db2.gz MJQZTGYBVFTBCR-HZPDHXFCSA-N 1 2 413.478 0.583 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccn2)CC1 ZINC000540623764 1075749205 /nfs/dbraw/zinc/74/92/05/1075749205.db2.gz MJQZTGYBVFTBCR-IYBDPMFKSA-N 1 2 413.478 0.583 20 0 HCADLO COCC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000540624420 1075748945 /nfs/dbraw/zinc/74/89/45/1075748945.db2.gz BCSDNKSBRITNAS-UHFFFAOYSA-N 1 2 406.302 0.501 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CCCS(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000540625043 1075742762 /nfs/dbraw/zinc/74/27/62/1075742762.db2.gz MZXAQJZWBRWGDO-UHFFFAOYSA-N 1 2 423.539 0.614 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccn2)CC1 ZINC000540625309 1075742384 /nfs/dbraw/zinc/74/23/84/1075742384.db2.gz UMNYAEUEARVIJU-UHFFFAOYSA-N 1 2 407.430 0.704 20 0 HCADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000540626639 1075743991 /nfs/dbraw/zinc/74/39/91/1075743991.db2.gz QOSMPSWESQNEAH-QGZVFWFLSA-N 1 2 411.524 0.236 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CCn3nc4ccccn4c3=O)ccn2)CC1 ZINC000540627242 1075743508 /nfs/dbraw/zinc/74/35/08/1075743508.db2.gz YQHWAQDIRAOHQH-UHFFFAOYSA-N 1 2 409.450 0.307 20 0 HCADLO COc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1OCCO ZINC000540629425 1075744733 /nfs/dbraw/zinc/74/47/33/1075744733.db2.gz FVBPWNXADMUJQC-UHFFFAOYSA-N 1 2 405.495 0.837 20 0 HCADLO COc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1OCCO ZINC000540629425 1075744715 /nfs/dbraw/zinc/74/47/15/1075744715.db2.gz FVBPWNXADMUJQC-UHFFFAOYSA-N 1 2 405.495 0.837 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC1 ZINC000540629683 1075745457 /nfs/dbraw/zinc/74/54/57/1075745457.db2.gz NFWGZVVUMUZGEF-UHFFFAOYSA-N 1 2 400.501 0.252 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC1 ZINC000540629683 1075745448 /nfs/dbraw/zinc/74/54/48/1075745448.db2.gz NFWGZVVUMUZGEF-UHFFFAOYSA-N 1 2 400.501 0.252 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3ccc(S(N)(=O)=O)cn3)c2)CC1 ZINC000540652107 1075753401 /nfs/dbraw/zinc/75/34/01/1075753401.db2.gz PBTOTTHQLGFZIR-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/77/23/22/1075772322.db2.gz XIIMLPHQXQLJIX-ICSRJNTNSA-N 1 2 416.522 0.957 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[C@H](O)C3)cc2)CC1 ZINC000540743755 1075772367 /nfs/dbraw/zinc/77/23/67/1075772367.db2.gz XIIMLPHQXQLJIX-QUCCMNQESA-N 1 2 416.522 0.957 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[C@@H](O)C3)cc2)CC1 ZINC000540743756 1075772397 /nfs/dbraw/zinc/77/23/97/1075772397.db2.gz XIIMLPHQXQLJIX-UYAOXDASSA-N 1 2 416.522 0.957 20 0 HCADLO COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540744222 1075772294 /nfs/dbraw/zinc/77/22/94/1075772294.db2.gz JJPPQZWFXJVLJS-NRFANRHFSA-N 1 2 420.510 0.193 20 0 HCADLO COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540744223 1075772382 /nfs/dbraw/zinc/77/23/82/1075772382.db2.gz JJPPQZWFXJVLJS-OAQYLSRUSA-N 1 2 420.510 0.193 20 0 HCADLO CC(C)C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000540747471 1075772986 /nfs/dbraw/zinc/77/29/86/1075772986.db2.gz 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CCCNC(=O)CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540763287 1075775207 /nfs/dbraw/zinc/77/52/07/1075775207.db2.gz IFBCHXXPWVXFNR-UHFFFAOYSA-N 1 2 417.510 0.322 20 0 HCADLO COC(=O)CCCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540765935 1075773135 /nfs/dbraw/zinc/77/31/35/1075773135.db2.gz WKZLHJDZBZIJPF-UHFFFAOYSA-N 1 2 418.494 0.749 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(=O)N3CCCC3)cc2)CC1 ZINC000540766631 1075773261 /nfs/dbraw/zinc/77/32/61/1075773261.db2.gz YACLYXUWLKBVKX-UHFFFAOYSA-N 1 2 415.494 0.028 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc(S(N)(=O)=O)nc3)cc2)CC1 ZINC000540800639 1075780179 /nfs/dbraw/zinc/78/01/79/1075780179.db2.gz PYYMCAZRJORWQZ-UHFFFAOYSA-N 1 2 417.491 0.645 20 0 HCADLO Cc1nc(C2([NH2+]CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCCCCC2)no1 ZINC000540818907 1075785658 /nfs/dbraw/zinc/78/56/58/1075785658.db2.gz WFGPXRUGJZFAJG-UHFFFAOYSA-N 1 2 401.471 0.964 20 0 HCADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000540826224 1075787885 /nfs/dbraw/zinc/78/78/85/1075787885.db2.gz QRUQGLHREGRHBK-UHFFFAOYSA-N 1 2 417.554 0.929 20 0 HCADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000540826224 1075787880 /nfs/dbraw/zinc/78/78/80/1075787880.db2.gz QRUQGLHREGRHBK-UHFFFAOYSA-N 1 2 417.554 0.929 20 0 HCADLO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)c1 ZINC000540826824 1075788343 /nfs/dbraw/zinc/78/83/43/1075788343.db2.gz PMNNGDSGHWPHRT-GFCCVEGCSA-N 1 2 408.455 0.790 20 0 HCADLO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000540826824 1075788339 /nfs/dbraw/zinc/78/83/39/1075788339.db2.gz PMNNGDSGHWPHRT-GFCCVEGCSA-N 1 2 408.455 0.790 20 0 HCADLO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C)c1 ZINC000540826827 1075788292 /nfs/dbraw/zinc/78/82/92/1075788292.db2.gz PMNNGDSGHWPHRT-LBPRGKRZSA-N 1 2 408.455 0.790 20 0 HCADLO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000540826827 1075788282 /nfs/dbraw/zinc/78/82/82/1075788282.db2.gz PMNNGDSGHWPHRT-LBPRGKRZSA-N 1 2 408.455 0.790 20 0 HCADLO COc1ccc(NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)cc1S(=O)(=O)N(C)C ZINC000540827305 1075788559 /nfs/dbraw/zinc/78/85/59/1075788559.db2.gz GVFUIYWGOMTAJI-UHFFFAOYSA-N 1 2 415.516 0.087 20 0 HCADLO COc1ccc(NC(=O)C[N@H+](C)CCNC(=O)N(C)C)cc1S(=O)(=O)N(C)C ZINC000540827305 1075788551 /nfs/dbraw/zinc/78/85/51/1075788551.db2.gz GVFUIYWGOMTAJI-UHFFFAOYSA-N 1 2 415.516 0.087 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000540827501 1075788217 /nfs/dbraw/zinc/78/82/17/1075788217.db2.gz JUGNXFINNSEIJF-KRWDZBQOSA-N 1 2 403.483 0.571 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000540827501 1075788214 /nfs/dbraw/zinc/78/82/14/1075788214.db2.gz JUGNXFINNSEIJF-KRWDZBQOSA-N 1 2 403.483 0.571 20 0 HCADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000540827504 1075788322 /nfs/dbraw/zinc/78/83/22/1075788322.db2.gz JUGNXFINNSEIJF-QGZVFWFLSA-N 1 2 403.483 0.571 20 0 HCADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000540827504 1075788315 /nfs/dbraw/zinc/78/83/15/1075788315.db2.gz JUGNXFINNSEIJF-QGZVFWFLSA-N 1 2 403.483 0.571 20 0 HCADLO NC(=O)c1cn(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c2ccccc12 ZINC000540896509 1075802581 /nfs/dbraw/zinc/80/25/81/1075802581.db2.gz RUBCXRJPSDYEEJ-INIZCTEOSA-N 1 2 400.479 0.690 20 0 HCADLO NC(=O)c1cn(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c2ccccc12 ZINC000540896510 1075802575 /nfs/dbraw/zinc/80/25/75/1075802575.db2.gz RUBCXRJPSDYEEJ-MRXNPFEDSA-N 1 2 400.479 0.690 20 0 HCADLO CN1CCC[C@H]([N@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O ZINC000540910700 1075803910 /nfs/dbraw/zinc/80/39/10/1075803910.db2.gz NOMPIHIJNCNGFA-INIZCTEOSA-N 1 2 409.508 0.775 20 0 HCADLO CN1CCC[C@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O ZINC000540910700 1075803908 /nfs/dbraw/zinc/80/39/08/1075803908.db2.gz NOMPIHIJNCNGFA-INIZCTEOSA-N 1 2 409.508 0.775 20 0 HCADLO CN1CCC[C@@H]([N@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O ZINC000540910704 1075803926 /nfs/dbraw/zinc/80/39/26/1075803926.db2.gz NOMPIHIJNCNGFA-MRXNPFEDSA-N 1 2 409.508 0.775 20 0 HCADLO CN1CCC[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O ZINC000540910704 1075803925 /nfs/dbraw/zinc/80/39/25/1075803925.db2.gz NOMPIHIJNCNGFA-MRXNPFEDSA-N 1 2 409.508 0.775 20 0 HCADLO Cc1cccn2cc(CC(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)[nH+]c12 ZINC000540924649 1075804264 /nfs/dbraw/zinc/80/42/64/1075804264.db2.gz UOYPPKYRZNMEQA-KRWDZBQOSA-N 1 2 406.508 0.838 20 0 HCADLO Cc1cccn2cc(CC(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)[nH+]c12 ZINC000540924657 1075804292 /nfs/dbraw/zinc/80/42/92/1075804292.db2.gz UOYPPKYRZNMEQA-QGZVFWFLSA-N 1 2 406.508 0.838 20 0 HCADLO Cc1nnc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000540935882 1075806265 /nfs/dbraw/zinc/80/62/65/1075806265.db2.gz GNOYXJCNUOONPI-AWEZNQCLSA-N 1 2 418.527 0.941 20 0 HCADLO Cc1nnc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000540935882 1075806261 /nfs/dbraw/zinc/80/62/61/1075806261.db2.gz GNOYXJCNUOONPI-AWEZNQCLSA-N 1 2 418.527 0.941 20 0 HCADLO Cc1nnc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000540935883 1075806322 /nfs/dbraw/zinc/80/63/22/1075806322.db2.gz GNOYXJCNUOONPI-CQSZACIVSA-N 1 2 418.527 0.941 20 0 HCADLO Cc1nnc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000540935883 1075806321 /nfs/dbraw/zinc/80/63/21/1075806321.db2.gz GNOYXJCNUOONPI-CQSZACIVSA-N 1 2 418.527 0.941 20 0 HCADLO Cc1nnc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000540935937 1075806490 /nfs/dbraw/zinc/80/64/90/1075806490.db2.gz NPGDRSNWJDMLMK-UHFFFAOYSA-N 1 2 404.500 0.505 20 0 HCADLO Cc1nnc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000540935937 1075806489 /nfs/dbraw/zinc/80/64/89/1075806489.db2.gz NPGDRSNWJDMLMK-UHFFFAOYSA-N 1 2 404.500 0.505 20 0 HCADLO CN(C)C(=O)CC1CC[NH+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000540967635 1075817535 /nfs/dbraw/zinc/81/75/35/1075817535.db2.gz STUPXINUIORCKD-INIZCTEOSA-N 1 2 422.507 0.156 20 0 HCADLO CN(C)C(=O)CC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000540967636 1075817566 /nfs/dbraw/zinc/81/75/66/1075817566.db2.gz STUPXINUIORCKD-MRXNPFEDSA-N 1 2 422.507 0.156 20 0 HCADLO COC(=O)CN(CCc1ccccc1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540969227 1075813732 /nfs/dbraw/zinc/81/37/32/1075813732.db2.gz VGGZBFYVVVIWBT-IBGZPJMESA-N 1 2 417.506 0.411 20 0 HCADLO COC(=O)CN(CCc1ccccc1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540969228 1075813647 /nfs/dbraw/zinc/81/36/47/1075813647.db2.gz VGGZBFYVVVIWBT-LJQANCHMSA-N 1 2 417.506 0.411 20 0 HCADLO COc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1-n1cnnn1 ZINC000540998974 1075823030 /nfs/dbraw/zinc/82/30/30/1075823030.db2.gz RYIBBWPLYPFJQT-INIZCTEOSA-N 1 2 402.455 0.234 20 0 HCADLO COc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1-n1cnnn1 ZINC000540998975 1075823282 /nfs/dbraw/zinc/82/32/82/1075823282.db2.gz RYIBBWPLYPFJQT-MRXNPFEDSA-N 1 2 402.455 0.234 20 0 HCADLO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1-n1cnnn1 ZINC000541012295 1075822762 /nfs/dbraw/zinc/82/27/62/1075822762.db2.gz BQHHNXPMRKAQDZ-UHFFFAOYSA-N 1 2 420.437 0.310 20 0 HCADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541022459 1075824991 /nfs/dbraw/zinc/82/49/91/1075824991.db2.gz FRXCTXMOTCKWQY-PBHICJAKSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541022459 1075824989 /nfs/dbraw/zinc/82/49/89/1075824989.db2.gz FRXCTXMOTCKWQY-PBHICJAKSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541022460 1075825078 /nfs/dbraw/zinc/82/50/78/1075825078.db2.gz FRXCTXMOTCKWQY-RHSMWYFYSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541022460 1075825076 /nfs/dbraw/zinc/82/50/76/1075825076.db2.gz FRXCTXMOTCKWQY-RHSMWYFYSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541022461 1075824982 /nfs/dbraw/zinc/82/49/82/1075824982.db2.gz FRXCTXMOTCKWQY-WMLDXEAASA-N 1 2 414.572 0.425 20 0 HCADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541022461 1075824978 /nfs/dbraw/zinc/82/49/78/1075824978.db2.gz FRXCTXMOTCKWQY-WMLDXEAASA-N 1 2 414.572 0.425 20 0 HCADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541022462 1075825019 /nfs/dbraw/zinc/82/50/19/1075825019.db2.gz FRXCTXMOTCKWQY-YOEHRIQHSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541022462 1075825015 /nfs/dbraw/zinc/82/50/15/1075825015.db2.gz FRXCTXMOTCKWQY-YOEHRIQHSA-N 1 2 414.572 0.425 20 0 HCADLO Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000541028503 1075826405 /nfs/dbraw/zinc/82/64/05/1075826405.db2.gz AHQOUKGRNWGAAT-UHFFFAOYSA-N 1 2 415.469 0.710 20 0 HCADLO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cn(C)c1=O ZINC000541028531 1075826412 /nfs/dbraw/zinc/82/64/12/1075826412.db2.gz AWBUZHDBMREUIK-INIZCTEOSA-N 1 2 412.494 0.354 20 0 HCADLO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)cn(C)c1=O ZINC000541028534 1075826390 /nfs/dbraw/zinc/82/63/90/1075826390.db2.gz AWBUZHDBMREUIK-MRXNPFEDSA-N 1 2 412.494 0.354 20 0 HCADLO C[C@H](CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)S(N)(=O)=O ZINC000541030629 1075834232 /nfs/dbraw/zinc/83/42/32/1075834232.db2.gz VMRYEMOXETYPED-CYBMUJFWSA-N 1 2 416.931 0.168 20 0 HCADLO C[C@H](CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)S(N)(=O)=O ZINC000541030629 1075834229 /nfs/dbraw/zinc/83/42/29/1075834229.db2.gz VMRYEMOXETYPED-CYBMUJFWSA-N 1 2 416.931 0.168 20 0 HCADLO C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)S(N)(=O)=O ZINC000541030635 1075834145 /nfs/dbraw/zinc/83/41/45/1075834145.db2.gz VMRYEMOXETYPED-ZDUSSCGKSA-N 1 2 416.931 0.168 20 0 HCADLO C[C@@H](CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)S(N)(=O)=O ZINC000541030635 1075834144 /nfs/dbraw/zinc/83/41/44/1075834144.db2.gz VMRYEMOXETYPED-ZDUSSCGKSA-N 1 2 416.931 0.168 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)CC1 ZINC000541031387 1075834594 /nfs/dbraw/zinc/83/45/94/1075834594.db2.gz YYHVQTJSOULPAO-UHFFFAOYSA-N 1 2 405.499 0.035 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)CC1 ZINC000541031387 1075834590 /nfs/dbraw/zinc/83/45/90/1075834590.db2.gz YYHVQTJSOULPAO-UHFFFAOYSA-N 1 2 405.499 0.035 20 0 HCADLO Cn1cc(NC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)ccc1=O ZINC000541032529 1075834939 /nfs/dbraw/zinc/83/49/39/1075834939.db2.gz XVKBHEJEOSKNCP-UHFFFAOYSA-N 1 2 414.462 0.351 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541034457 1075835366 /nfs/dbraw/zinc/83/53/66/1075835366.db2.gz HJQVZCOQUIKBEB-DOTOQJQBSA-N 1 2 402.561 0.743 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541034458 1075835360 /nfs/dbraw/zinc/83/53/60/1075835360.db2.gz HJQVZCOQUIKBEB-NVXWUHKLSA-N 1 2 402.561 0.743 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541034459 1075835376 /nfs/dbraw/zinc/83/53/76/1075835376.db2.gz HJQVZCOQUIKBEB-RDJZCZTQSA-N 1 2 402.561 0.743 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000541034460 1075835347 /nfs/dbraw/zinc/83/53/47/1075835347.db2.gz HJQVZCOQUIKBEB-WBVHZDCISA-N 1 2 402.561 0.743 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000541037464 1075831202 /nfs/dbraw/zinc/83/12/02/1075831202.db2.gz SZJGEHJXDGFJEN-KRWDZBQOSA-N 1 2 409.446 0.514 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000541037474 1075831184 /nfs/dbraw/zinc/83/11/84/1075831184.db2.gz SZJGEHJXDGFJEN-QGZVFWFLSA-N 1 2 409.446 0.514 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCO1 ZINC000541038886 1075831446 /nfs/dbraw/zinc/83/14/46/1075831446.db2.gz KMKFIXIHGRWGFZ-KRWDZBQOSA-N 1 2 411.462 0.798 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCO1 ZINC000541038887 1075831392 /nfs/dbraw/zinc/83/13/92/1075831392.db2.gz KMKFIXIHGRWGFZ-QGZVFWFLSA-N 1 2 411.462 0.798 20 0 HCADLO Cn1c2[nH]c(C[NH2+][C@H](CO)c3cccc(Br)c3)nc2c(=O)n(C)c1=O ZINC000541051111 1075838563 /nfs/dbraw/zinc/83/85/63/1075838563.db2.gz ISZDDNATVIYPRB-LLVKDONJSA-N 1 2 408.256 0.546 20 0 HCADLO Cn1c2[nH]c(C[NH2+][C@@H](CO)c3cccc(Br)c3)nc2c(=O)n(C)c1=O ZINC000541051114 1075838533 /nfs/dbraw/zinc/83/85/33/1075838533.db2.gz ISZDDNATVIYPRB-NSHDSACASA-N 1 2 408.256 0.546 20 0 HCADLO COC(=O)c1ccccc1OCCN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000541076482 1075839605 /nfs/dbraw/zinc/83/96/05/1075839605.db2.gz OKISXFWSIDCNBJ-UHFFFAOYSA-N 1 2 419.434 0.365 20 0 HCADLO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000541082161 1075840491 /nfs/dbraw/zinc/84/04/91/1075840491.db2.gz XGSUYDSTFDBJPC-GOSISDBHSA-N 1 2 413.496 0.615 20 0 HCADLO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000541082161 1075840490 /nfs/dbraw/zinc/84/04/90/1075840490.db2.gz XGSUYDSTFDBJPC-GOSISDBHSA-N 1 2 413.496 0.615 20 0 HCADLO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000541082162 1075840464 /nfs/dbraw/zinc/84/04/64/1075840464.db2.gz XGSUYDSTFDBJPC-SFHVURJKSA-N 1 2 413.496 0.615 20 0 HCADLO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000541082162 1075840463 /nfs/dbraw/zinc/84/04/63/1075840463.db2.gz XGSUYDSTFDBJPC-SFHVURJKSA-N 1 2 413.496 0.615 20 0 HCADLO COc1cccc2c1CC[N@@H+](CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)C2 ZINC000541086530 1075841058 /nfs/dbraw/zinc/84/10/58/1075841058.db2.gz NXGSUSITMFLAIX-UHFFFAOYSA-N 1 2 416.522 0.056 20 0 HCADLO COc1cccc2c1CC[N@H+](CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)C2 ZINC000541086530 1075841057 /nfs/dbraw/zinc/84/10/57/1075841057.db2.gz NXGSUSITMFLAIX-UHFFFAOYSA-N 1 2 416.522 0.056 20 0 HCADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c(OC)c1 ZINC000541123424 1075844671 /nfs/dbraw/zinc/84/46/71/1075844671.db2.gz RURULWFIDDAWKY-UHFFFAOYSA-N 1 2 400.482 0.899 20 0 HCADLO O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000541128163 1075848537 /nfs/dbraw/zinc/84/85/37/1075848537.db2.gz QXVLWNRJEQRNEP-UHFFFAOYSA-N 1 2 409.508 0.758 20 0 HCADLO O=C(C[N@@H+]1CCOCC2(CC2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000541128163 1075848536 /nfs/dbraw/zinc/84/85/36/1075848536.db2.gz QXVLWNRJEQRNEP-UHFFFAOYSA-N 1 2 409.508 0.758 20 0 HCADLO O=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000541128684 1075848468 /nfs/dbraw/zinc/84/84/68/1075848468.db2.gz XFSMKSPSRJKUER-UHFFFAOYSA-N 1 2 412.493 0.150 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000541145905 1075848310 /nfs/dbraw/zinc/84/83/10/1075848310.db2.gz DNEJDLGLYHDUEY-CYBMUJFWSA-N 1 2 400.439 0.506 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000541145906 1075848302 /nfs/dbraw/zinc/84/83/02/1075848302.db2.gz DNEJDLGLYHDUEY-ZDUSSCGKSA-N 1 2 400.439 0.506 20 0 HCADLO Cc1ccnc(OC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC000541146175 1075851425 /nfs/dbraw/zinc/85/14/25/1075851425.db2.gz QPAXRXXDSIOJDF-GOSISDBHSA-N 1 2 416.522 0.941 20 0 HCADLO Cc1ccnc(OC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC000541146180 1075851381 /nfs/dbraw/zinc/85/13/81/1075851381.db2.gz QPAXRXXDSIOJDF-SFHVURJKSA-N 1 2 416.522 0.941 20 0 HCADLO COc1cccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000541152356 1075849341 /nfs/dbraw/zinc/84/93/41/1075849341.db2.gz UVHHGHRWRYQOSK-UHFFFAOYSA-N 1 2 410.474 0.868 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOCC2(CC2)C1 ZINC000541161285 1075852908 /nfs/dbraw/zinc/85/29/08/1075852908.db2.gz VUCBIVLCSKISKW-UHFFFAOYSA-N 1 2 423.539 0.355 20 0 HCADLO CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164434 1075853485 /nfs/dbraw/zinc/85/34/85/1075853485.db2.gz IMBMLRXJAAEVMM-KBXCAEBGSA-N 1 2 400.401 0.608 20 0 HCADLO CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164434 1075853482 /nfs/dbraw/zinc/85/34/82/1075853482.db2.gz IMBMLRXJAAEVMM-KBXCAEBGSA-N 1 2 400.401 0.608 20 0 HCADLO CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164435 1075853447 /nfs/dbraw/zinc/85/34/47/1075853447.db2.gz IMBMLRXJAAEVMM-KDOFPFPSSA-N 1 2 400.401 0.608 20 0 HCADLO CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164435 1075853444 /nfs/dbraw/zinc/85/34/44/1075853444.db2.gz IMBMLRXJAAEVMM-KDOFPFPSSA-N 1 2 400.401 0.608 20 0 HCADLO CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164438 1075853456 /nfs/dbraw/zinc/85/34/56/1075853456.db2.gz IMBMLRXJAAEVMM-KSSFIOAISA-N 1 2 400.401 0.608 20 0 HCADLO CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541164438 1075853454 /nfs/dbraw/zinc/85/34/54/1075853454.db2.gz IMBMLRXJAAEVMM-KSSFIOAISA-N 1 2 400.401 0.608 20 0 HCADLO CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164439 1075853649 /nfs/dbraw/zinc/85/36/49/1075853649.db2.gz IMBMLRXJAAEVMM-RDTXWAMCSA-N 1 2 400.401 0.608 20 0 HCADLO CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541164439 1075853648 /nfs/dbraw/zinc/85/36/48/1075853648.db2.gz IMBMLRXJAAEVMM-RDTXWAMCSA-N 1 2 400.401 0.608 20 0 HCADLO COc1ccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(C)c1F ZINC000541165747 1075853642 /nfs/dbraw/zinc/85/36/42/1075853642.db2.gz URLYHYLTOHQXMG-UHFFFAOYSA-N 1 2 413.475 0.818 20 0 HCADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000541196343 1075860189 /nfs/dbraw/zinc/86/01/89/1075860189.db2.gz QLCNHPVVBZYXPO-UHFFFAOYSA-N 1 2 415.498 0.825 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)CC1 ZINC000541198359 1075857907 /nfs/dbraw/zinc/85/79/07/1075857907.db2.gz HLFLXTMZHUUMMS-UHFFFAOYSA-N 1 2 419.461 0.789 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)N[C@H]3CCCN(Cc4nccn4C)C3=O)ccc2[nH+]1 ZINC000541200001 1075858095 /nfs/dbraw/zinc/85/80/95/1075858095.db2.gz SZKPTPKJMLWFLU-HNNXBMFYSA-N 1 2 409.450 0.622 20 0 HCADLO Cc1cn2cc(NC(=O)C(=O)N[C@@H]3CCCN(Cc4nccn4C)C3=O)ccc2[nH+]1 ZINC000541200002 1075858068 /nfs/dbraw/zinc/85/80/68/1075858068.db2.gz SZKPTPKJMLWFLU-OAHLLOKOSA-N 1 2 409.450 0.622 20 0 HCADLO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000541219475 1075861355 /nfs/dbraw/zinc/86/13/55/1075861355.db2.gz NYAVVZAKXVDHFM-MSOLQXFVSA-N 1 2 418.542 0.949 20 0 HCADLO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000541219475 1075861352 /nfs/dbraw/zinc/86/13/52/1075861352.db2.gz NYAVVZAKXVDHFM-MSOLQXFVSA-N 1 2 418.542 0.949 20 0 HCADLO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000541219476 1075861368 /nfs/dbraw/zinc/86/13/68/1075861368.db2.gz NYAVVZAKXVDHFM-ROUUACIJSA-N 1 2 418.542 0.949 20 0 HCADLO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000541219476 1075861365 /nfs/dbraw/zinc/86/13/65/1075861365.db2.gz NYAVVZAKXVDHFM-ROUUACIJSA-N 1 2 418.542 0.949 20 0 HCADLO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000541219888 1075861396 /nfs/dbraw/zinc/86/13/96/1075861396.db2.gz XXQKPVHUSZSSHW-KRWDZBQOSA-N 1 2 404.515 0.513 20 0 HCADLO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000541219888 1075861393 /nfs/dbraw/zinc/86/13/93/1075861393.db2.gz XXQKPVHUSZSSHW-KRWDZBQOSA-N 1 2 404.515 0.513 20 0 HCADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cn1C ZINC000541236945 1075862086 /nfs/dbraw/zinc/86/20/86/1075862086.db2.gz DADKGASEHRRQGT-UHFFFAOYSA-N 1 2 408.528 0.922 20 0 HCADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000541237931 1075862276 /nfs/dbraw/zinc/86/22/76/1075862276.db2.gz RYAAHWPSXABWRG-UHFFFAOYSA-N 1 2 423.495 0.572 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000541244185 1075863074 /nfs/dbraw/zinc/86/30/74/1075863074.db2.gz QZCCAEIGILGXBT-ZDUSSCGKSA-N 1 2 403.420 0.119 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000541244185 1075863071 /nfs/dbraw/zinc/86/30/71/1075863071.db2.gz QZCCAEIGILGXBT-ZDUSSCGKSA-N 1 2 403.420 0.119 20 0 HCADLO O=C(c1ccccc1-n1ccnn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000541266094 1075868423 /nfs/dbraw/zinc/86/84/23/1075868423.db2.gz ZYXHFMMJMVCJRU-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO O=C(c1ccccc1-n1ccnn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000541266094 1075868421 /nfs/dbraw/zinc/86/84/21/1075868421.db2.gz ZYXHFMMJMVCJRU-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000541281644 1075871208 /nfs/dbraw/zinc/87/12/08/1075871208.db2.gz JBPBHACVYHDVHJ-CYBMUJFWSA-N 1 2 411.446 0.351 20 0 HCADLO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000541281653 1075871222 /nfs/dbraw/zinc/87/12/22/1075871222.db2.gz JBPBHACVYHDVHJ-ZDUSSCGKSA-N 1 2 411.446 0.351 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000541338278 1075878814 /nfs/dbraw/zinc/87/88/14/1075878814.db2.gz USZPLGUIOTVXKQ-GOSISDBHSA-N 1 2 424.509 0.488 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000541338281 1075878829 /nfs/dbraw/zinc/87/88/29/1075878829.db2.gz USZPLGUIOTVXKQ-SFHVURJKSA-N 1 2 424.509 0.488 20 0 HCADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000541338369 1075879069 /nfs/dbraw/zinc/87/90/69/1075879069.db2.gz TUGKVPCXNVOQIG-HNNXBMFYSA-N 1 2 417.528 0.068 20 0 HCADLO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000541338369 1075879067 /nfs/dbraw/zinc/87/90/67/1075879067.db2.gz TUGKVPCXNVOQIG-HNNXBMFYSA-N 1 2 417.528 0.068 20 0 HCADLO O=C(C[N@@H+]1CCSC[C@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000541338370 1075879054 /nfs/dbraw/zinc/87/90/54/1075879054.db2.gz TUGKVPCXNVOQIG-OAHLLOKOSA-N 1 2 417.528 0.068 20 0 HCADLO O=C(C[N@H+]1CCSC[C@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000541338370 1075879053 /nfs/dbraw/zinc/87/90/53/1075879053.db2.gz TUGKVPCXNVOQIG-OAHLLOKOSA-N 1 2 417.528 0.068 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@@H]3CCCCS3)ccn2)CC1 ZINC000541352465 1075878659 /nfs/dbraw/zinc/87/86/59/1075878659.db2.gz ACULGCLVGUGMOF-HNNXBMFYSA-N 1 2 405.524 0.810 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NC[C@H]3CCCCS3)ccn2)CC1 ZINC000541352466 1075878671 /nfs/dbraw/zinc/87/86/71/1075878671.db2.gz ACULGCLVGUGMOF-OAHLLOKOSA-N 1 2 405.524 0.810 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCCCS3(=O)=O)c2)CC1 ZINC000541353833 1075880467 /nfs/dbraw/zinc/88/04/67/1075880467.db2.gz BPBGRSLCANIBPR-GOSISDBHSA-N 1 2 422.551 0.456 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCCCS3(=O)=O)c2)CC1 ZINC000541353843 1075880458 /nfs/dbraw/zinc/88/04/58/1075880458.db2.gz BPBGRSLCANIBPR-SFHVURJKSA-N 1 2 422.551 0.456 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cc2)CC1 ZINC000541354455 1075880648 /nfs/dbraw/zinc/88/06/48/1075880648.db2.gz GZGZSMSFLLXAEG-DFQSSKMNSA-N 1 2 414.506 0.519 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)cc2)CC1 ZINC000541354456 1075880685 /nfs/dbraw/zinc/88/06/85/1075880685.db2.gz GZGZSMSFLLXAEG-IHPCNDPISA-N 1 2 414.506 0.519 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)cc2)CC1 ZINC000541354457 1075880707 /nfs/dbraw/zinc/88/07/07/1075880707.db2.gz GZGZSMSFLLXAEG-SXLOBPIMSA-N 1 2 414.506 0.519 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)cc2)CC1 ZINC000541354459 1075880701 /nfs/dbraw/zinc/88/07/01/1075880701.db2.gz GZGZSMSFLLXAEG-YSIASYRMSA-N 1 2 414.506 0.519 20 0 HCADLO Cc1ncc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(=O)[nH]1 ZINC000541356859 1075880790 /nfs/dbraw/zinc/88/07/90/1075880790.db2.gz FHYKIQYQYIPQSP-UHFFFAOYSA-N 1 2 412.450 0.133 20 0 HCADLO C[C@H](C[S@@](C)=O)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000541374524 1075882373 /nfs/dbraw/zinc/88/23/73/1075882373.db2.gz RDBBTYBSCSVYBH-COEMCCDRSA-N 1 2 410.544 0.348 20 0 HCADLO C[C@H](C[S@@](C)=O)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000541374524 1075882372 /nfs/dbraw/zinc/88/23/72/1075882372.db2.gz RDBBTYBSCSVYBH-COEMCCDRSA-N 1 2 410.544 0.348 20 0 HCADLO C[C@H](C[S@@](C)=O)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000541374526 1075882391 /nfs/dbraw/zinc/88/23/91/1075882391.db2.gz RDBBTYBSCSVYBH-SLBZEPJWSA-N 1 2 410.544 0.348 20 0 HCADLO C[C@H](C[S@@](C)=O)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000541374526 1075882390 /nfs/dbraw/zinc/88/23/90/1075882390.db2.gz RDBBTYBSCSVYBH-SLBZEPJWSA-N 1 2 410.544 0.348 20 0 HCADLO C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000541374528 1075882388 /nfs/dbraw/zinc/88/23/88/1075882388.db2.gz RDBBTYBSCSVYBH-TXUMCGTDSA-N 1 2 410.544 0.348 20 0 HCADLO C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000541374528 1075882387 /nfs/dbraw/zinc/88/23/87/1075882387.db2.gz RDBBTYBSCSVYBH-TXUMCGTDSA-N 1 2 410.544 0.348 20 0 HCADLO C[C@H](C[S@](C)=O)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000541374531 1075882382 /nfs/dbraw/zinc/88/23/82/1075882382.db2.gz RDBBTYBSCSVYBH-XAZSVGOPSA-N 1 2 410.544 0.348 20 0 HCADLO C[C@H](C[S@](C)=O)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000541374531 1075882381 /nfs/dbraw/zinc/88/23/81/1075882381.db2.gz RDBBTYBSCSVYBH-XAZSVGOPSA-N 1 2 410.544 0.348 20 0 HCADLO CS[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000541378291 1075882559 /nfs/dbraw/zinc/88/25/59/1075882559.db2.gz SNIQQCGJSNNOLZ-HNNXBMFYSA-N 1 2 421.633 0.584 20 0 HCADLO CS[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000541378295 1075882754 /nfs/dbraw/zinc/88/27/54/1075882754.db2.gz SNIQQCGJSNNOLZ-OAHLLOKOSA-N 1 2 421.633 0.584 20 0 HCADLO Cc1nn(C(C)(C)C)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000541398382 1075884819 /nfs/dbraw/zinc/88/48/19/1075884819.db2.gz IHVXRYPXSYNMBV-UHFFFAOYSA-N 1 2 412.560 0.197 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[C@@H]3CCOC3)cc2)CC1 ZINC000541402833 1075885368 /nfs/dbraw/zinc/88/53/68/1075885368.db2.gz HZMMETBZCWITBG-GOSISDBHSA-N 1 2 402.495 0.832 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[C@H]3CCOC3)cc2)CC1 ZINC000541402835 1075885403 /nfs/dbraw/zinc/88/54/03/1075885403.db2.gz HZMMETBZCWITBG-SFHVURJKSA-N 1 2 402.495 0.832 20 0 HCADLO O=C(NCCCNc1cccc(F)c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000541409988 1075886825 /nfs/dbraw/zinc/88/68/25/1075886825.db2.gz VBYNIPGFGBDLRH-UHFFFAOYSA-N 1 2 418.473 0.911 20 0 HCADLO COC(=O)C1(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCCC1 ZINC000541429125 1075887920 /nfs/dbraw/zinc/88/79/20/1075887920.db2.gz QCHSWWUQNBANDA-UHFFFAOYSA-N 1 2 421.498 0.394 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCCCS1(=O)=O ZINC000542463484 1077322790 /nfs/dbraw/zinc/32/27/90/1077322790.db2.gz XKJPTSRQAYPBDZ-CVEARBPZSA-N 1 2 423.539 0.366 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCCCS1(=O)=O ZINC000542463484 1077322783 /nfs/dbraw/zinc/32/27/83/1077322783.db2.gz XKJPTSRQAYPBDZ-CVEARBPZSA-N 1 2 423.539 0.366 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCCCS1(=O)=O ZINC000542463485 1077322722 /nfs/dbraw/zinc/32/27/22/1077322722.db2.gz XKJPTSRQAYPBDZ-HOTGVXAUSA-N 1 2 423.539 0.366 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCCCS1(=O)=O ZINC000542463485 1077322720 /nfs/dbraw/zinc/32/27/20/1077322720.db2.gz XKJPTSRQAYPBDZ-HOTGVXAUSA-N 1 2 423.539 0.366 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCCCS1(=O)=O ZINC000542463486 1077322639 /nfs/dbraw/zinc/32/26/39/1077322639.db2.gz XKJPTSRQAYPBDZ-HZPDHXFCSA-N 1 2 423.539 0.366 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCCCS1(=O)=O ZINC000542463486 1077322630 /nfs/dbraw/zinc/32/26/30/1077322630.db2.gz XKJPTSRQAYPBDZ-HZPDHXFCSA-N 1 2 423.539 0.366 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCCCS1(=O)=O ZINC000542463487 1077322743 /nfs/dbraw/zinc/32/27/43/1077322743.db2.gz XKJPTSRQAYPBDZ-JKSUJKDBSA-N 1 2 423.539 0.366 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCCCS1(=O)=O ZINC000542463487 1077322736 /nfs/dbraw/zinc/32/27/36/1077322736.db2.gz XKJPTSRQAYPBDZ-JKSUJKDBSA-N 1 2 423.539 0.366 20 0 HCADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000542467496 1077349488 /nfs/dbraw/zinc/34/94/88/1077349488.db2.gz ZHZHDZSHAXWYSU-UHFFFAOYSA-N 1 2 402.904 0.224 20 0 HCADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1c[nH+]cn1C)n2C ZINC000542477449 1077454043 /nfs/dbraw/zinc/45/40/43/1077454043.db2.gz HLNSPXBJCYUBJY-UHFFFAOYSA-N 1 2 418.523 0.849 20 0 HCADLO COc1ccc(CC(=O)NCCc2c[nH+]cn2C)cc1S(=O)(=O)N1CCOCC1 ZINC000542480671 1077507341 /nfs/dbraw/zinc/50/73/41/1077507341.db2.gz BHRNYYKRLCTPCQ-UHFFFAOYSA-N 1 2 422.507 0.351 20 0 HCADLO CCc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1S(=O)(=O)N1CCOCC1 ZINC000542481888 1077518178 /nfs/dbraw/zinc/51/81/78/1077518178.db2.gz KOBKCLLNDZKQCQ-UHFFFAOYSA-N 1 2 406.508 0.976 20 0 HCADLO C[C@@H](C(=O)NC1CCN(c2nnnn2C)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000542489837 1077572550 /nfs/dbraw/zinc/57/25/50/1077572550.db2.gz HSNICKUDOBXQQH-HNNXBMFYSA-N 1 2 416.505 0.645 20 0 HCADLO C[C@H](C(=O)NC1CCN(c2nnnn2C)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000542489838 1077572715 /nfs/dbraw/zinc/57/27/15/1077572715.db2.gz HSNICKUDOBXQQH-OAHLLOKOSA-N 1 2 416.505 0.645 20 0 HCADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC[C@@H]3CCCCO3)CC2)cc1 ZINC000542507802 1077643594 /nfs/dbraw/zinc/64/35/94/1077643594.db2.gz MTCFZCLXSNJVMY-HNNXBMFYSA-N 1 2 417.553 0.600 20 0 HCADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC[C@H]3CCCCO3)CC2)cc1 ZINC000542507803 1077643481 /nfs/dbraw/zinc/64/34/81/1077643481.db2.gz MTCFZCLXSNJVMY-OAHLLOKOSA-N 1 2 417.553 0.600 20 0 HCADLO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000542508095 1077642980 /nfs/dbraw/zinc/64/29/80/1077642980.db2.gz WHBIFZCKKQGVTQ-HNNXBMFYSA-N 1 2 423.897 0.681 20 0 HCADLO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000542508102 1077642881 /nfs/dbraw/zinc/64/28/81/1077642881.db2.gz WHBIFZCKKQGVTQ-OAHLLOKOSA-N 1 2 423.897 0.681 20 0 HCADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000542511789 1077648915 /nfs/dbraw/zinc/64/89/15/1077648915.db2.gz WFLUPTITSLDLJE-INIZCTEOSA-N 1 2 400.932 0.742 20 0 HCADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000542511789 1077648908 /nfs/dbraw/zinc/64/89/08/1077648908.db2.gz WFLUPTITSLDLJE-INIZCTEOSA-N 1 2 400.932 0.742 20 0 HCADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000542511797 1077648959 /nfs/dbraw/zinc/64/89/59/1077648959.db2.gz WFLUPTITSLDLJE-MRXNPFEDSA-N 1 2 400.932 0.742 20 0 HCADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000542511797 1077648948 /nfs/dbraw/zinc/64/89/48/1077648948.db2.gz WFLUPTITSLDLJE-MRXNPFEDSA-N 1 2 400.932 0.742 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1c[nH+]cn1C ZINC000542518732 1077658672 /nfs/dbraw/zinc/65/86/72/1077658672.db2.gz VBCKIMFKKIRMSO-UHFFFAOYSA-N 1 2 408.480 0.422 20 0 HCADLO Cc1cc(C(F)(F)F)nc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000542519160 1077660231 /nfs/dbraw/zinc/66/02/31/1077660231.db2.gz VTHJVJKCQQVTKU-UHFFFAOYSA-N 1 2 408.450 0.418 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)cc1 ZINC000542537040 1077729118 /nfs/dbraw/zinc/72/91/18/1077729118.db2.gz WLBKQLNENHRMFH-UHFFFAOYSA-N 1 2 420.466 0.672 20 0 HCADLO CCCn1c(C[NH2+]C2(C(N)=O)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000542548641 1077808521 /nfs/dbraw/zinc/80/85/21/1077808521.db2.gz MFLZWZIQMWWSBD-UHFFFAOYSA-N 1 2 421.523 0.575 20 0 HCADLO CCS(=O)(=O)NCCC[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000542549321 1077807706 /nfs/dbraw/zinc/80/77/06/1077807706.db2.gz BCOZVTASYIJKGM-INIZCTEOSA-N 1 2 402.948 0.813 20 0 HCADLO CCS(=O)(=O)NCCC[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000542549322 1077807684 /nfs/dbraw/zinc/80/76/84/1077807684.db2.gz BCOZVTASYIJKGM-MRXNPFEDSA-N 1 2 402.948 0.813 20 0 HCADLO CCn1c(C[NH2+]C2(C(N)=O)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000542549789 1077810074 /nfs/dbraw/zinc/81/00/74/1077810074.db2.gz MNFAMBYAZVXYRZ-UHFFFAOYSA-N 1 2 407.496 0.185 20 0 HCADLO CCOc1ccc(NC(=O)C[NH2+]C2(C(N)=O)CC2)cc1S(=O)(=O)N(CC)CC ZINC000542553130 1077815583 /nfs/dbraw/zinc/81/55/83/1077815583.db2.gz JLAQUVKYJKIAAV-UHFFFAOYSA-N 1 2 412.512 0.662 20 0 HCADLO Cn1nnc2cc(C(=O)N[C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)cnc21 ZINC000542553786 1077818203 /nfs/dbraw/zinc/81/82/03/1077818203.db2.gz LATKUVOMNBGRHE-HNNXBMFYSA-N 1 2 423.481 0.389 20 0 HCADLO Cn1nnc2cc(C(=O)N[C@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)cnc21 ZINC000542553786 1077818201 /nfs/dbraw/zinc/81/82/01/1077818201.db2.gz LATKUVOMNBGRHE-HNNXBMFYSA-N 1 2 423.481 0.389 20 0 HCADLO Cn1nnc2cc(C(=O)N[C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)cnc21 ZINC000542553787 1077818162 /nfs/dbraw/zinc/81/81/62/1077818162.db2.gz LATKUVOMNBGRHE-OAHLLOKOSA-N 1 2 423.481 0.389 20 0 HCADLO Cn1nnc2cc(C(=O)N[C@@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)cnc21 ZINC000542553787 1077818159 /nfs/dbraw/zinc/81/81/59/1077818159.db2.gz LATKUVOMNBGRHE-OAHLLOKOSA-N 1 2 423.481 0.389 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C3(C(N)=O)CC3)cc2)C[C@H](C)O1 ZINC000542553907 1077817963 /nfs/dbraw/zinc/81/79/63/1077817963.db2.gz MPAYAZPKLKRWCI-BETUJISGSA-N 1 2 410.496 0.031 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C3(C(N)=O)CC3)cc2)C[C@@H](C)O1 ZINC000542553908 1077818152 /nfs/dbraw/zinc/81/81/52/1077818152.db2.gz MPAYAZPKLKRWCI-CHWSQXEVSA-N 1 2 410.496 0.031 20 0 HCADLO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C3(C(N)=O)CC3)cc2)C[C@H](C)O1 ZINC000542553909 1077818211 /nfs/dbraw/zinc/81/82/11/1077818211.db2.gz MPAYAZPKLKRWCI-STQMWFEESA-N 1 2 410.496 0.031 20 0 HCADLO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000542554698 1077822269 /nfs/dbraw/zinc/82/22/69/1077822269.db2.gz CZNWLTHNTNSLTA-UHFFFAOYSA-N 1 2 424.523 0.806 20 0 HCADLO C[C@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)c1nnnn1-c1ccccc1 ZINC000542571982 1077904051 /nfs/dbraw/zinc/90/40/51/1077904051.db2.gz UOQJMKLKOZPBRN-AWEZNQCLSA-N 1 2 409.450 0.493 20 0 HCADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)c1nnnn1-c1ccccc1 ZINC000542571983 1077903909 /nfs/dbraw/zinc/90/39/09/1077903909.db2.gz UOQJMKLKOZPBRN-CQSZACIVSA-N 1 2 409.450 0.493 20 0 HCADLO CCc1nc([C@H](C)[NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cs1 ZINC000542575175 1077915991 /nfs/dbraw/zinc/91/59/91/1077915991.db2.gz XESQXULVWVUJRK-HNNXBMFYSA-N 1 2 409.556 0.359 20 0 HCADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cs1 ZINC000542575176 1077915955 /nfs/dbraw/zinc/91/59/55/1077915955.db2.gz XESQXULVWVUJRK-OAHLLOKOSA-N 1 2 409.556 0.359 20 0 HCADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000542575687 1077948479 /nfs/dbraw/zinc/94/84/79/1077948479.db2.gz QBIAXXUXUSAXNR-CYBMUJFWSA-N 1 2 415.479 0.907 20 0 HCADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000542575690 1077948300 /nfs/dbraw/zinc/94/83/00/1077948300.db2.gz QBIAXXUXUSAXNR-ZDUSSCGKSA-N 1 2 415.479 0.907 20 0 HCADLO C[C@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1nnc2ccccn21 ZINC000542586479 1078056051 /nfs/dbraw/zinc/05/60/51/1078056051.db2.gz FZNFWSZYEVAGMR-AWEZNQCLSA-N 1 2 420.481 0.405 20 0 HCADLO C[C@@H]([NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1nnc2ccccn21 ZINC000542586480 1078056015 /nfs/dbraw/zinc/05/60/15/1078056015.db2.gz FZNFWSZYEVAGMR-CQSZACIVSA-N 1 2 420.481 0.405 20 0 HCADLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000542587211 1078065782 /nfs/dbraw/zinc/06/57/82/1078065782.db2.gz NXBHPSXLIVYDEC-KBPBESRZSA-N 1 2 416.507 0.775 20 0 HCADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1nnc2ccccn21 ZINC000542587216 1078066074 /nfs/dbraw/zinc/06/60/74/1078066074.db2.gz NXBHPSXLIVYDEC-KGLIPLIRSA-N 1 2 416.507 0.775 20 0 HCADLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000542587218 1078066040 /nfs/dbraw/zinc/06/60/40/1078066040.db2.gz NXBHPSXLIVYDEC-UONOGXRCSA-N 1 2 416.507 0.775 20 0 HCADLO C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000542587221 1078066129 /nfs/dbraw/zinc/06/61/29/1078066129.db2.gz NXBHPSXLIVYDEC-ZIAGYGMSSA-N 1 2 416.507 0.775 20 0 HCADLO O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542596388 1078104697 /nfs/dbraw/zinc/10/46/97/1078104697.db2.gz AHPAEIRRGFKCRU-UHFFFAOYSA-N 1 2 423.477 0.192 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1N1CCCCC1=O ZINC000542597743 1078116080 /nfs/dbraw/zinc/11/60/80/1078116080.db2.gz DWDATAFZPTYAKM-UHFFFAOYSA-N 1 2 404.467 0.287 20 0 HCADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c2ccccc12 ZINC000542597828 1078108960 /nfs/dbraw/zinc/10/89/60/1078108960.db2.gz JBMHCTGYAPBQQM-UHFFFAOYSA-N 1 2 415.446 0.467 20 0 HCADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000542597853 1078108913 /nfs/dbraw/zinc/10/89/13/1078108913.db2.gz JULUDAXPJDYUPB-AWEZNQCLSA-N 1 2 411.462 0.910 20 0 HCADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000542597854 1078108844 /nfs/dbraw/zinc/10/88/44/1078108844.db2.gz JULUDAXPJDYUPB-CQSZACIVSA-N 1 2 411.462 0.910 20 0 HCADLO CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000542598156 1078109634 /nfs/dbraw/zinc/10/96/34/1078109634.db2.gz BBVBFEFURSYRCQ-UHFFFAOYSA-N 1 2 405.434 0.135 20 0 HCADLO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542598161 1078109565 /nfs/dbraw/zinc/10/95/65/1078109565.db2.gz BJESBGLMBKDULS-UHFFFAOYSA-N 1 2 400.273 0.923 20 0 HCADLO CC1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc2)CC1 ZINC000542598226 1078107220 /nfs/dbraw/zinc/10/72/20/1078107220.db2.gz BUJJKCOWAGPIIL-UHFFFAOYSA-N 1 2 402.495 0.634 20 0 HCADLO O=C(CCc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1)N1CCCC1 ZINC000542598324 1078107697 /nfs/dbraw/zinc/10/76/97/1078107697.db2.gz GIBSMMTXIXHROZ-UHFFFAOYSA-N 1 2 402.495 0.317 20 0 HCADLO CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc21 ZINC000542598555 1078106520 /nfs/dbraw/zinc/10/65/20/1078106520.db2.gz ORHZBPQKISVLGT-UHFFFAOYSA-N 1 2 418.494 0.533 20 0 HCADLO O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542598735 1078122262 /nfs/dbraw/zinc/12/22/62/1078122262.db2.gz SPZXJMWIALMXRL-UHFFFAOYSA-N 1 2 413.356 0.830 20 0 HCADLO CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000542598860 1078125562 /nfs/dbraw/zinc/12/55/62/1078125562.db2.gz WRWBXTBOWXDCLW-UHFFFAOYSA-N 1 2 411.524 0.475 20 0 HCADLO CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000542598941 1078122531 /nfs/dbraw/zinc/12/25/31/1078122531.db2.gz YPFWEKZJEFMDMS-UHFFFAOYSA-N 1 2 410.902 0.897 20 0 HCADLO O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542598951 1078122815 /nfs/dbraw/zinc/12/28/15/1078122815.db2.gz YWNCNQMCWZOMKD-UHFFFAOYSA-N 1 2 424.501 0.734 20 0 HCADLO O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542599394 1078117869 /nfs/dbraw/zinc/11/78/69/1078117869.db2.gz CWHQVJCWLCFQGB-UHFFFAOYSA-N 1 2 402.495 0.778 20 0 HCADLO O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542599451 1078118719 /nfs/dbraw/zinc/11/87/19/1078118719.db2.gz BRUCMGUIIXZZAY-UHFFFAOYSA-N 1 2 422.485 0.965 20 0 HCADLO O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542599662 1078129006 /nfs/dbraw/zinc/12/90/06/1078129006.db2.gz AIXMDRTVDKYUEE-UHFFFAOYSA-N 1 2 419.507 0.208 20 0 HCADLO O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542599852 1078128424 /nfs/dbraw/zinc/12/84/24/1078128424.db2.gz FKERKWDTHMQFBO-UHFFFAOYSA-N 1 2 402.373 0.054 20 0 HCADLO O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542600132 1078128391 /nfs/dbraw/zinc/12/83/91/1078128391.db2.gz LFIRNXQFHNXITE-UHFFFAOYSA-N 1 2 408.886 0.651 20 0 HCADLO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542600249 1078127832 /nfs/dbraw/zinc/12/78/32/1078127832.db2.gz NBBMEIIHKWXYRN-UHFFFAOYSA-N 1 2 402.495 0.742 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1OCc1cccnc1 ZINC000542600269 1078128027 /nfs/dbraw/zinc/12/80/27/1078128027.db2.gz FFTZFPQERVVRHN-UHFFFAOYSA-N 1 2 414.462 0.744 20 0 HCADLO CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)ccc21 ZINC000542600614 1078129148 /nfs/dbraw/zinc/12/91/48/1078129148.db2.gz NFCIMKGQZZICDE-UHFFFAOYSA-N 1 2 402.451 0.279 20 0 HCADLO O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542600779 1078131996 /nfs/dbraw/zinc/13/19/96/1078131996.db2.gz QVZZOVZKTAIZFE-HNNXBMFYSA-N 1 2 411.886 0.973 20 0 HCADLO O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542600781 1078131925 /nfs/dbraw/zinc/13/19/25/1078131925.db2.gz QVZZOVZKTAIZFE-OAHLLOKOSA-N 1 2 411.886 0.973 20 0 HCADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542600845 1078130360 /nfs/dbraw/zinc/13/03/60/1078130360.db2.gz RFODEHSDCBDMKL-UHFFFAOYSA-N 1 2 419.400 0.806 20 0 HCADLO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1C ZINC000542600914 1078130737 /nfs/dbraw/zinc/13/07/37/1078130737.db2.gz NWPGZBGELNFOPW-UHFFFAOYSA-N 1 2 412.512 0.222 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1)n1cccn1 ZINC000542601288 1078129676 /nfs/dbraw/zinc/12/96/76/1078129676.db2.gz RMMLBHAFNQYDED-HNNXBMFYSA-N 1 2 414.466 0.158 20 0 HCADLO C[C@H](C(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1)n1cccn1 ZINC000542601290 1078129434 /nfs/dbraw/zinc/12/94/34/1078129434.db2.gz RMMLBHAFNQYDED-OAHLLOKOSA-N 1 2 414.466 0.158 20 0 HCADLO Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542601368 1078130211 /nfs/dbraw/zinc/13/02/11/1078130211.db2.gz TXCOAISVAHALLM-UHFFFAOYSA-N 1 2 420.535 0.259 20 0 HCADLO CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)N2CC[NH+](CCO)CC2)n1 ZINC000542601401 1078129615 /nfs/dbraw/zinc/12/96/15/1078129615.db2.gz UGYISXSPORLUOU-UHFFFAOYSA-N 1 2 415.450 0.124 20 0 HCADLO O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542601466 1078130335 /nfs/dbraw/zinc/13/03/35/1078130335.db2.gz RKHLJEOLSOKKRF-UHFFFAOYSA-N 1 2 412.494 0.747 20 0 HCADLO COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542601697 1078157551 /nfs/dbraw/zinc/15/75/51/1078157551.db2.gz RDXLRLBLQSUWMA-UHFFFAOYSA-N 1 2 420.510 0.385 20 0 HCADLO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542601845 1078153060 /nfs/dbraw/zinc/15/30/60/1078153060.db2.gz SLNRETRZDVTSAV-UHFFFAOYSA-N 1 2 414.256 0.311 20 0 HCADLO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000542601959 1078155359 /nfs/dbraw/zinc/15/53/59/1078155359.db2.gz VNHQMASGRWHVFH-UHFFFAOYSA-N 1 2 410.902 0.895 20 0 HCADLO CN(C)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc2n1 ZINC000542602032 1078145304 /nfs/dbraw/zinc/14/53/04/1078145304.db2.gz VGTXEIXUNBVPNJ-INIZCTEOSA-N 1 2 411.506 0.964 20 0 HCADLO CN(C)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc2n1 ZINC000542602033 1078145475 /nfs/dbraw/zinc/14/54/75/1078145475.db2.gz VGTXEIXUNBVPNJ-MRXNPFEDSA-N 1 2 411.506 0.964 20 0 HCADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c(OC(F)F)c1 ZINC000542602161 1078142393 /nfs/dbraw/zinc/14/23/93/1078142393.db2.gz XQTWZILUKTWSTR-UHFFFAOYSA-N 1 2 401.366 0.150 20 0 HCADLO COCC[NH+]1CCC(NC(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CC1 ZINC000542602968 1078173817 /nfs/dbraw/zinc/17/38/17/1078173817.db2.gz RAMHTLFCXXQMDT-UHFFFAOYSA-N 1 2 419.507 0.801 20 0 HCADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000542606227 1078209215 /nfs/dbraw/zinc/20/92/15/1078209215.db2.gz CMFWZSJCSSTMQR-QGZVFWFLSA-N 1 2 410.478 0.864 20 0 HCADLO O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000542606701 1078222511 /nfs/dbraw/zinc/22/25/11/1078222511.db2.gz GNSRIQDGHUOQBM-UHFFFAOYSA-N 1 2 408.462 0.894 20 0 HCADLO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000542607916 1078283539 /nfs/dbraw/zinc/28/35/39/1078283539.db2.gz WPKXLBBNPZSMAG-UHFFFAOYSA-N 1 2 405.480 0.740 20 0 HCADLO CCOC(=O)[C@H]([NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1)C1CCOCC1 ZINC000542624046 1078857895 /nfs/dbraw/zinc/85/78/95/1078857895.db2.gz ANNJWXAUFQDHFI-DLBZAZTESA-N 1 2 405.451 0.812 20 0 HCADLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)C1CCOCC1 ZINC000542624048 1078857917 /nfs/dbraw/zinc/85/79/17/1078857917.db2.gz ANNJWXAUFQDHFI-IAGOWNOFSA-N 1 2 405.451 0.812 20 0 HCADLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1)C1CCOCC1 ZINC000542624049 1078857834 /nfs/dbraw/zinc/85/78/34/1078857834.db2.gz ANNJWXAUFQDHFI-IRXDYDNUSA-N 1 2 405.451 0.812 20 0 HCADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)C1CCOCC1 ZINC000542624050 1078857858 /nfs/dbraw/zinc/85/78/58/1078857858.db2.gz ANNJWXAUFQDHFI-SJORKVTESA-N 1 2 405.451 0.812 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000542628576 1079029408 /nfs/dbraw/zinc/02/94/08/1079029408.db2.gz UUJZOLBOZRWLOH-AWEZNQCLSA-N 1 2 406.487 0.818 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000542628578 1079029507 /nfs/dbraw/zinc/02/95/07/1079029507.db2.gz UUJZOLBOZRWLOH-CQSZACIVSA-N 1 2 406.487 0.818 20 0 HCADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000542629089 1079036435 /nfs/dbraw/zinc/03/64/35/1079036435.db2.gz WZCLEWFZTKIATB-FQEVSTJZSA-N 1 2 400.523 0.282 20 0 HCADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000542629089 1079036427 /nfs/dbraw/zinc/03/64/27/1079036427.db2.gz WZCLEWFZTKIATB-FQEVSTJZSA-N 1 2 400.523 0.282 20 0 HCADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000542629097 1079036482 /nfs/dbraw/zinc/03/64/82/1079036482.db2.gz WZCLEWFZTKIATB-HXUWFJFHSA-N 1 2 400.523 0.282 20 0 HCADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000542629097 1079036475 /nfs/dbraw/zinc/03/64/75/1079036475.db2.gz WZCLEWFZTKIATB-HXUWFJFHSA-N 1 2 400.523 0.282 20 0 HCADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000542629771 1079043597 /nfs/dbraw/zinc/04/35/97/1079043597.db2.gz MPHNFCLHVKLHMZ-UHFFFAOYSA-N 1 2 405.480 0.692 20 0 HCADLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000542630742 1079053602 /nfs/dbraw/zinc/05/36/02/1079053602.db2.gz LROJWOPCRPXIEV-NRFANRHFSA-N 1 2 419.501 0.638 20 0 HCADLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000542630742 1079053599 /nfs/dbraw/zinc/05/35/99/1079053599.db2.gz LROJWOPCRPXIEV-NRFANRHFSA-N 1 2 419.501 0.638 20 0 HCADLO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000542630743 1079053665 /nfs/dbraw/zinc/05/36/65/1079053665.db2.gz LROJWOPCRPXIEV-OAQYLSRUSA-N 1 2 419.501 0.638 20 0 HCADLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000542630743 1079053664 /nfs/dbraw/zinc/05/36/64/1079053664.db2.gz LROJWOPCRPXIEV-OAQYLSRUSA-N 1 2 419.501 0.638 20 0 HCADLO CCN1CC[N@@H+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O ZINC000542634101 1079061633 /nfs/dbraw/zinc/06/16/33/1079061633.db2.gz YDMXTUUNLUQBDK-UHFFFAOYSA-N 1 2 408.524 0.964 20 0 HCADLO CCN1CC[N@H+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O ZINC000542634101 1079061624 /nfs/dbraw/zinc/06/16/24/1079061624.db2.gz YDMXTUUNLUQBDK-UHFFFAOYSA-N 1 2 408.524 0.964 20 0 HCADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000542634283 1079060662 /nfs/dbraw/zinc/06/06/62/1079060662.db2.gz IHMFTGANKFMCGV-UHFFFAOYSA-N 1 2 407.434 0.841 20 0 HCADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000542635285 1079080905 /nfs/dbraw/zinc/08/09/05/1079080905.db2.gz VIVHRZZVOGBFTF-UHFFFAOYSA-N 1 2 403.464 0.689 20 0 HCADLO COC1CCC(CCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000542641456 1079257280 /nfs/dbraw/zinc/25/72/80/1079257280.db2.gz DIINQVJNOYVZBD-UHFFFAOYSA-N 1 2 407.515 0.865 20 0 HCADLO COC1CCC(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000542642128 1079271638 /nfs/dbraw/zinc/27/16/38/1079271638.db2.gz CZLRDUJYDHCEPF-UHFFFAOYSA-N 1 2 407.515 0.865 20 0 HCADLO Cc1cnc([C@H](C)CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000542646697 1079392598 /nfs/dbraw/zinc/39/25/98/1079392598.db2.gz NEIZHVPVHYFGIQ-CYBMUJFWSA-N 1 2 406.512 0.839 20 0 HCADLO Cc1cnc([C@@H](C)CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000542646698 1079392460 /nfs/dbraw/zinc/39/24/60/1079392460.db2.gz NEIZHVPVHYFGIQ-ZDUSSCGKSA-N 1 2 406.512 0.839 20 0 HCADLO C[C@@H]1N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC12CCOCC2 ZINC000542646806 1079392112 /nfs/dbraw/zinc/39/21/12/1079392112.db2.gz QEEOALXUHNZDAI-INIZCTEOSA-N 1 2 405.499 0.571 20 0 HCADLO C[C@H]1N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC12CCOCC2 ZINC000542646807 1079392284 /nfs/dbraw/zinc/39/22/84/1079392284.db2.gz QEEOALXUHNZDAI-MRXNPFEDSA-N 1 2 405.499 0.571 20 0 HCADLO C[C@H]([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccon1 ZINC000542649422 1079450685 /nfs/dbraw/zinc/45/06/85/1079450685.db2.gz MCWUTOIVMRAVRE-AWEZNQCLSA-N 1 2 408.480 0.663 20 0 HCADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccon1 ZINC000542649425 1079450639 /nfs/dbraw/zinc/45/06/39/1079450639.db2.gz MCWUTOIVMRAVRE-CQSZACIVSA-N 1 2 408.480 0.663 20 0 HCADLO CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC(=O)N1 ZINC000542655130 1079470253 /nfs/dbraw/zinc/47/02/53/1079470253.db2.gz KUUNHUYUDGNWBI-BBWFWOEESA-N 1 2 416.526 0.703 20 0 HCADLO CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC(=O)N1 ZINC000542655130 1079470244 /nfs/dbraw/zinc/47/02/44/1079470244.db2.gz KUUNHUYUDGNWBI-BBWFWOEESA-N 1 2 416.526 0.703 20 0 HCADLO CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC(=O)N1 ZINC000542655131 1079470023 /nfs/dbraw/zinc/47/00/23/1079470023.db2.gz KUUNHUYUDGNWBI-BRWVUGGUSA-N 1 2 416.526 0.703 20 0 HCADLO CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC(=O)N1 ZINC000542655131 1079470012 /nfs/dbraw/zinc/47/00/12/1079470012.db2.gz KUUNHUYUDGNWBI-BRWVUGGUSA-N 1 2 416.526 0.703 20 0 HCADLO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC(=O)N1 ZINC000542655133 1079470286 /nfs/dbraw/zinc/47/02/86/1079470286.db2.gz KUUNHUYUDGNWBI-GVDBMIGSSA-N 1 2 416.526 0.703 20 0 HCADLO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC(=O)N1 ZINC000542655133 1079470270 /nfs/dbraw/zinc/47/02/70/1079470270.db2.gz KUUNHUYUDGNWBI-GVDBMIGSSA-N 1 2 416.526 0.703 20 0 HCADLO CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC(=O)N1 ZINC000542655135 1079470140 /nfs/dbraw/zinc/47/01/40/1079470140.db2.gz KUUNHUYUDGNWBI-ZACQAIPSSA-N 1 2 416.526 0.703 20 0 HCADLO CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC(=O)N1 ZINC000542655135 1079470132 /nfs/dbraw/zinc/47/01/32/1079470132.db2.gz KUUNHUYUDGNWBI-ZACQAIPSSA-N 1 2 416.526 0.703 20 0 HCADLO CC[C@H]1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC(=O)N1 ZINC000542659087 1079482196 /nfs/dbraw/zinc/48/21/96/1079482196.db2.gz JGJQELWSVPJPTA-CVEARBPZSA-N 1 2 402.499 0.267 20 0 HCADLO CC[C@H]1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC(=O)N1 ZINC000542659087 1079482189 /nfs/dbraw/zinc/48/21/89/1079482189.db2.gz JGJQELWSVPJPTA-CVEARBPZSA-N 1 2 402.499 0.267 20 0 HCADLO CC[C@H]1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC(=O)N1 ZINC000542659088 1079482123 /nfs/dbraw/zinc/48/21/23/1079482123.db2.gz JGJQELWSVPJPTA-HOTGVXAUSA-N 1 2 402.499 0.267 20 0 HCADLO CC[C@H]1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC(=O)N1 ZINC000542659088 1079482120 /nfs/dbraw/zinc/48/21/20/1079482120.db2.gz JGJQELWSVPJPTA-HOTGVXAUSA-N 1 2 402.499 0.267 20 0 HCADLO CC[C@@H]1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC(=O)N1 ZINC000542659089 1079482337 /nfs/dbraw/zinc/48/23/37/1079482337.db2.gz JGJQELWSVPJPTA-HZPDHXFCSA-N 1 2 402.499 0.267 20 0 HCADLO CC[C@@H]1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC(=O)N1 ZINC000542659089 1079482327 /nfs/dbraw/zinc/48/23/27/1079482327.db2.gz JGJQELWSVPJPTA-HZPDHXFCSA-N 1 2 402.499 0.267 20 0 HCADLO CC[C@@H]1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC(=O)N1 ZINC000542659090 1079482383 /nfs/dbraw/zinc/48/23/83/1079482383.db2.gz JGJQELWSVPJPTA-JKSUJKDBSA-N 1 2 402.499 0.267 20 0 HCADLO CC[C@@H]1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC(=O)N1 ZINC000542659090 1079482373 /nfs/dbraw/zinc/48/23/73/1079482373.db2.gz JGJQELWSVPJPTA-JKSUJKDBSA-N 1 2 402.499 0.267 20 0 HCADLO CC(C)N1C(=O)C[C@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000542685108 1080222906 /nfs/dbraw/zinc/22/29/06/1080222906.db2.gz RXWDPJTVFUXSOK-HNNXBMFYSA-N 1 2 402.455 0.127 20 0 HCADLO CC(C)N1C(=O)C[C@@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000542685109 1080222732 /nfs/dbraw/zinc/22/27/32/1080222732.db2.gz RXWDPJTVFUXSOK-OAHLLOKOSA-N 1 2 402.455 0.127 20 0 HCADLO COC[C@](C)(CC(=O)OC)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542685352 1080222085 /nfs/dbraw/zinc/22/20/85/1080222085.db2.gz GEIYNFPWTQPWSP-IBGZPJMESA-N 1 2 407.471 0.559 20 0 HCADLO COC[C@@](C)(CC(=O)OC)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542685353 1080222328 /nfs/dbraw/zinc/22/23/28/1080222328.db2.gz GEIYNFPWTQPWSP-LJQANCHMSA-N 1 2 407.471 0.559 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCC[C@@H]3[C@H]3CNC(=O)C3)ccn2)CC1 ZINC000542685493 1080222842 /nfs/dbraw/zinc/22/28/42/1080222842.db2.gz ISLOKIADYRASTJ-CRAIPNDOSA-N 1 2 414.510 0.992 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)ccn2)CC1 ZINC000542685494 1080222883 /nfs/dbraw/zinc/22/28/83/1080222883.db2.gz ISLOKIADYRASTJ-MAUKXSAKSA-N 1 2 414.510 0.992 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCC[C@H]3[C@H]3CNC(=O)C3)ccn2)CC1 ZINC000542685495 1080222720 /nfs/dbraw/zinc/22/27/20/1080222720.db2.gz ISLOKIADYRASTJ-QAPCUYQASA-N 1 2 414.510 0.992 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCC[C@H]3[C@@H]3CNC(=O)C3)ccn2)CC1 ZINC000542685496 1080222023 /nfs/dbraw/zinc/22/20/23/1080222023.db2.gz ISLOKIADYRASTJ-YJBOKZPZSA-N 1 2 414.510 0.992 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@]4(CNC(=O)C4)C3)ccn2)CC1 ZINC000542685604 1080222377 /nfs/dbraw/zinc/22/23/77/1080222377.db2.gz HRVUOMSANWCLGF-FQEVSTJZSA-N 1 2 400.483 0.603 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@@]4(CNC(=O)C4)C3)ccn2)CC1 ZINC000542685605 1080222295 /nfs/dbraw/zinc/22/22/95/1080222295.db2.gz HRVUOMSANWCLGF-HXUWFJFHSA-N 1 2 400.483 0.603 20 0 HCADLO COC(=O)C1(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCOCC1 ZINC000542685769 1080225400 /nfs/dbraw/zinc/22/54/00/1080225400.db2.gz CGJGBGKECUBLTL-UHFFFAOYSA-N 1 2 419.482 0.561 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3CCN(S(C)(=O)=O)CC3)ccn2)CC1 ZINC000542686456 1080225434 /nfs/dbraw/zinc/22/54/34/1080225434.db2.gz JJWJGBPJKZVMFE-UHFFFAOYSA-N 1 2 424.527 0.015 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCn4c(nnc4C4CC4)C3)ccn2)CC1 ZINC000542686478 1080225162 /nfs/dbraw/zinc/22/51/62/1080225162.db2.gz SVCRDBYXNKBRBK-UHFFFAOYSA-N 1 2 410.482 0.986 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542686828 1080226945 /nfs/dbraw/zinc/22/69/45/1080226945.db2.gz LYLUSZKUNWLHKJ-HNNXBMFYSA-N 1 2 424.527 0.015 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542686831 1080226960 /nfs/dbraw/zinc/22/69/60/1080226960.db2.gz LYLUSZKUNWLHKJ-OAHLLOKOSA-N 1 2 424.527 0.015 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCNC(=O)c3cccnc3)ccn2)CC1 ZINC000542686836 1080226978 /nfs/dbraw/zinc/22/69/78/1080226978.db2.gz NMCJIGYBKBDNIO-UHFFFAOYSA-N 1 2 411.466 0.416 20 0 HCADLO CCN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@@H](C)CS(C)(=O)=O ZINC000542686838 1080226880 /nfs/dbraw/zinc/22/68/80/1080226880.db2.gz MADQEAPJLJOYHV-AWEZNQCLSA-N 1 2 411.528 0.756 20 0 HCADLO CCN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H](C)CS(C)(=O)=O ZINC000542686847 1080226840 /nfs/dbraw/zinc/22/68/40/1080226840.db2.gz MADQEAPJLJOYHV-CQSZACIVSA-N 1 2 411.528 0.756 20 0 HCADLO CCNC(=O)N1CC[C@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000542686952 1080227327 /nfs/dbraw/zinc/22/73/27/1080227327.db2.gz NSATVBVONDGIKD-HNNXBMFYSA-N 1 2 403.487 0.395 20 0 HCADLO CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000542686956 1080226920 /nfs/dbraw/zinc/22/69/20/1080226920.db2.gz NSATVBVONDGIKD-OAHLLOKOSA-N 1 2 403.487 0.395 20 0 HCADLO CC(C)C(=O)N1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000542687091 1080226774 /nfs/dbraw/zinc/22/67/74/1080226774.db2.gz WYSOUXOOCWGIDR-UHFFFAOYSA-N 1 2 402.499 0.801 20 0 HCADLO CCOC(=O)C1(O)CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000542687314 1080226348 /nfs/dbraw/zinc/22/63/48/1080226348.db2.gz RQXRNMRQCBCNOJ-UHFFFAOYSA-N 1 2 419.482 0.391 20 0 HCADLO COC(=O)C[C@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000542687328 1080226336 /nfs/dbraw/zinc/22/63/36/1080226336.db2.gz SVFLJVWNQGWFTO-HNNXBMFYSA-N 1 2 405.455 0.265 20 0 HCADLO COC(=O)C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000542687329 1080226408 /nfs/dbraw/zinc/22/64/08/1080226408.db2.gz SVFLJVWNQGWFTO-OAHLLOKOSA-N 1 2 405.455 0.265 20 0 HCADLO CC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000542687360 1080226933 /nfs/dbraw/zinc/22/69/33/1080226933.db2.gz SHNUVKYTCQUCKB-INIZCTEOSA-N 1 2 402.499 0.849 20 0 HCADLO CC(=O)NC[C@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000542687366 1080226822 /nfs/dbraw/zinc/22/68/22/1080226822.db2.gz SHNUVKYTCQUCKB-MRXNPFEDSA-N 1 2 402.499 0.849 20 0 HCADLO CN(C)c1ncc(CN(C)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cn1 ZINC000542687411 1080225853 /nfs/dbraw/zinc/22/58/53/1080225853.db2.gz SFRBOCWICFNGCF-UHFFFAOYSA-N 1 2 412.498 0.989 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@H]3CCCCS3(=O)=O)ccn2)CC1 ZINC000542687469 1080226476 /nfs/dbraw/zinc/22/64/76/1080226476.db2.gz SYXLDWUTAYRUNT-HNNXBMFYSA-N 1 2 409.512 0.558 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@H]3CCCCS3(=O)=O)ccn2)CC1 ZINC000542687470 1080226459 /nfs/dbraw/zinc/22/64/59/1080226459.db2.gz SYXLDWUTAYRUNT-OAHLLOKOSA-N 1 2 409.512 0.558 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3CCS(=O)(=O)CC3)ccn2)CC1 ZINC000542687600 1080225942 /nfs/dbraw/zinc/22/59/42/1080225942.db2.gz WDRBGSAVGATFGH-UHFFFAOYSA-N 1 2 409.512 0.416 20 0 HCADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542687615 1080225823 /nfs/dbraw/zinc/22/58/23/1080225823.db2.gz VRKMLGRTRSOOBC-AWEZNQCLSA-N 1 2 411.528 0.756 20 0 HCADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542687616 1080225917 /nfs/dbraw/zinc/22/59/17/1080225917.db2.gz VRKMLGRTRSOOBC-CQSZACIVSA-N 1 2 411.528 0.756 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H](CC(N)=O)C3CCOCC3)ccn2)CC1 ZINC000542687618 1080225749 /nfs/dbraw/zinc/22/57/49/1080225749.db2.gz VRWMPBNNZGYTJF-INIZCTEOSA-N 1 2 418.498 0.261 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H](CC(N)=O)C3CCOCC3)ccn2)CC1 ZINC000542687622 1080226050 /nfs/dbraw/zinc/22/60/50/1080226050.db2.gz VRWMPBNNZGYTJF-MRXNPFEDSA-N 1 2 418.498 0.261 20 0 HCADLO COCCOC[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000542687822 1080228129 /nfs/dbraw/zinc/22/81/29/1080228129.db2.gz XLICQPNLIOIWEI-INIZCTEOSA-N 1 2 405.499 0.986 20 0 HCADLO COCCOC[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000542687824 1080227796 /nfs/dbraw/zinc/22/77/96/1080227796.db2.gz XLICQPNLIOIWEI-MRXNPFEDSA-N 1 2 405.499 0.986 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)ccn2)CC1 ZINC000542687829 1080227822 /nfs/dbraw/zinc/22/78/22/1080227822.db2.gz XWMAVYVUBNZANO-JXFKEZNVSA-N 1 2 403.483 0.929 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCO[C@]4(CCOC4)C3)ccn2)CC1 ZINC000542687866 1080227453 /nfs/dbraw/zinc/22/74/53/1080227453.db2.gz XWMAVYVUBNZANO-OXJNMPFZSA-N 1 2 403.483 0.929 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)ccn2)CC1 ZINC000542687867 1080228109 /nfs/dbraw/zinc/22/81/09/1080228109.db2.gz XWMAVYVUBNZANO-OXQOHEQNSA-N 1 2 403.483 0.929 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)ccn2)CC1 ZINC000542687868 1080227983 /nfs/dbraw/zinc/22/79/83/1080227983.db2.gz XWMAVYVUBNZANO-UZLBHIALSA-N 1 2 403.483 0.929 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCS(=O)(=O)C(C)(C)C3)ccn2)CC1 ZINC000542688312 1080227237 /nfs/dbraw/zinc/22/72/37/1080227237.db2.gz AEXMIFQQIXHBNU-UHFFFAOYSA-N 1 2 409.512 0.510 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)ccn2)CC1 ZINC000542688870 1080229112 /nfs/dbraw/zinc/22/91/12/1080229112.db2.gz SQKFBRHJPMKENQ-HNNXBMFYSA-N 1 2 424.527 0.015 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)ccn2)CC1 ZINC000542688871 1080229231 /nfs/dbraw/zinc/22/92/31/1080229231.db2.gz SQKFBRHJPMKENQ-OAHLLOKOSA-N 1 2 424.527 0.015 20 0 HCADLO CC(=O)N1CCC(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000542689051 1080228688 /nfs/dbraw/zinc/22/86/88/1080228688.db2.gz XDFPAAWOCMRMDH-UHFFFAOYSA-N 1 2 402.499 0.849 20 0 HCADLO COC(=O)CC1(NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCOCC1 ZINC000542689294 1080227932 /nfs/dbraw/zinc/22/79/32/1080227932.db2.gz WTNOMGNZFQWFBX-UHFFFAOYSA-N 1 2 419.482 0.703 20 0 HCADLO CN(C[C@@H](O)C(F)(F)F)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000542750821 1080269026 /nfs/dbraw/zinc/26/90/26/1080269026.db2.gz JJNSVVAMFRUHSO-CYBMUJFWSA-N 1 2 403.405 0.685 20 0 HCADLO CN(C[C@H](O)C(F)(F)F)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000542750827 1080268905 /nfs/dbraw/zinc/26/89/05/1080268905.db2.gz JJNSVVAMFRUHSO-ZDUSSCGKSA-N 1 2 403.405 0.685 20 0 HCADLO Nc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000542753351 1080270938 /nfs/dbraw/zinc/27/09/38/1080270938.db2.gz QPLXAFQDJOPLON-UHFFFAOYSA-N 1 2 404.496 0.406 20 0 HCADLO Nc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000542753351 1080270933 /nfs/dbraw/zinc/27/09/33/1080270933.db2.gz QPLXAFQDJOPLON-UHFFFAOYSA-N 1 2 404.496 0.406 20 0 HCADLO CCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000542771173 1080287421 /nfs/dbraw/zinc/28/74/21/1080287421.db2.gz ZLQMJHAPZXTZEW-DLBZAZTESA-N 1 2 420.514 0.339 20 0 HCADLO CCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000542771173 1080287413 /nfs/dbraw/zinc/28/74/13/1080287413.db2.gz ZLQMJHAPZXTZEW-DLBZAZTESA-N 1 2 420.514 0.339 20 0 HCADLO CCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000542771186 1080287322 /nfs/dbraw/zinc/28/73/22/1080287322.db2.gz ZLQMJHAPZXTZEW-IAGOWNOFSA-N 1 2 420.514 0.339 20 0 HCADLO CCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000542771186 1080287316 /nfs/dbraw/zinc/28/73/16/1080287316.db2.gz ZLQMJHAPZXTZEW-IAGOWNOFSA-N 1 2 420.514 0.339 20 0 HCADLO CCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000542771188 1080287239 /nfs/dbraw/zinc/28/72/39/1080287239.db2.gz ZLQMJHAPZXTZEW-IRXDYDNUSA-N 1 2 420.514 0.339 20 0 HCADLO CCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000542771188 1080287231 /nfs/dbraw/zinc/28/72/31/1080287231.db2.gz ZLQMJHAPZXTZEW-IRXDYDNUSA-N 1 2 420.514 0.339 20 0 HCADLO CCO[C@H]1COCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000542771190 1080287360 /nfs/dbraw/zinc/28/73/60/1080287360.db2.gz ZLQMJHAPZXTZEW-SJORKVTESA-N 1 2 420.514 0.339 20 0 HCADLO CCO[C@H]1COCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000542771190 1080287354 /nfs/dbraw/zinc/28/73/54/1080287354.db2.gz ZLQMJHAPZXTZEW-SJORKVTESA-N 1 2 420.514 0.339 20 0 HCADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCN3C(=O)CNC3=O)[nH+]c12 ZINC000542771348 1080286782 /nfs/dbraw/zinc/28/67/82/1080286782.db2.gz XFSKGBJDNPWLMT-UHFFFAOYSA-N 1 2 423.271 0.799 20 0 HCADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCNS(C)(=O)=O)[nH+]c12 ZINC000542771457 1080286630 /nfs/dbraw/zinc/28/66/30/1080286630.db2.gz ZYZLCTHTIUVJAG-UHFFFAOYSA-N 1 2 418.317 0.796 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)O)cc1 ZINC000542784560 1080295922 /nfs/dbraw/zinc/29/59/22/1080295922.db2.gz AMZWLXZATHTVPP-DOTOQJQBSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)O)cc1 ZINC000542784561 1080296034 /nfs/dbraw/zinc/29/60/34/1080296034.db2.gz AMZWLXZATHTVPP-NVXWUHKLSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)O)cc1 ZINC000542784562 1080296088 /nfs/dbraw/zinc/29/60/88/1080296088.db2.gz AMZWLXZATHTVPP-RDJZCZTQSA-N 1 2 413.540 0.250 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)O)cc1 ZINC000542784563 1080296018 /nfs/dbraw/zinc/29/60/18/1080296018.db2.gz AMZWLXZATHTVPP-WBVHZDCISA-N 1 2 413.540 0.250 20 0 HCADLO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000542835353 1080346071 /nfs/dbraw/zinc/34/60/71/1080346071.db2.gz GQBHCSCMIGZUNY-UHFFFAOYSA-N 1 2 416.478 0.555 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000542846158 1080352984 /nfs/dbraw/zinc/35/29/84/1080352984.db2.gz KLXNJCHJGOPKKY-GOSISDBHSA-N 1 2 406.483 0.054 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000542846161 1080352790 /nfs/dbraw/zinc/35/27/90/1080352790.db2.gz KLXNJCHJGOPKKY-SFHVURJKSA-N 1 2 406.483 0.054 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000542849314 1080356237 /nfs/dbraw/zinc/35/62/37/1080356237.db2.gz MEVJMYKIIJVPFL-GOSISDBHSA-N 1 2 406.483 0.054 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000542849315 1080356103 /nfs/dbraw/zinc/35/61/03/1080356103.db2.gz MEVJMYKIIJVPFL-SFHVURJKSA-N 1 2 406.483 0.054 20 0 HCADLO COc1ccc(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1-n1cnnn1 ZINC000542867057 1080368156 /nfs/dbraw/zinc/36/81/56/1080368156.db2.gz PHSUYTPFYQAKEY-UHFFFAOYSA-N 1 2 422.449 0.706 20 0 HCADLO CC[C@@H]1C[C@@H](CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000542872470 1080370895 /nfs/dbraw/zinc/37/08/95/1080370895.db2.gz XHOLEDLWBGPTBJ-DLBZAZTESA-N 1 2 402.561 0.218 20 0 HCADLO CC[C@@H]1C[C@H](CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000542872471 1080370789 /nfs/dbraw/zinc/37/07/89/1080370789.db2.gz XHOLEDLWBGPTBJ-IAGOWNOFSA-N 1 2 402.561 0.218 20 0 HCADLO CC[C@H]1C[C@@H](CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000542872472 1080370703 /nfs/dbraw/zinc/37/07/03/1080370703.db2.gz XHOLEDLWBGPTBJ-IRXDYDNUSA-N 1 2 402.561 0.218 20 0 HCADLO CC[C@H]1C[C@H](CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000542872473 1080370829 /nfs/dbraw/zinc/37/08/29/1080370829.db2.gz XHOLEDLWBGPTBJ-SJORKVTESA-N 1 2 402.561 0.218 20 0 HCADLO Cn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1=O ZINC000542876472 1080374417 /nfs/dbraw/zinc/37/44/17/1080374417.db2.gz BLRTVIVIKHLRDA-UHFFFAOYSA-N 1 2 417.897 0.916 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542882650 1080407853 /nfs/dbraw/zinc/40/78/53/1080407853.db2.gz BTQFKRDGUFPEQL-CRAIPNDOSA-N 1 2 414.572 0.392 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542882650 1080407840 /nfs/dbraw/zinc/40/78/40/1080407840.db2.gz BTQFKRDGUFPEQL-CRAIPNDOSA-N 1 2 414.572 0.392 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542882651 1080407340 /nfs/dbraw/zinc/40/73/40/1080407340.db2.gz BTQFKRDGUFPEQL-MAUKXSAKSA-N 1 2 414.572 0.392 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542882651 1080407308 /nfs/dbraw/zinc/40/73/08/1080407308.db2.gz BTQFKRDGUFPEQL-MAUKXSAKSA-N 1 2 414.572 0.392 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542882652 1080407604 /nfs/dbraw/zinc/40/76/04/1080407604.db2.gz BTQFKRDGUFPEQL-QAPCUYQASA-N 1 2 414.572 0.392 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542882652 1080407586 /nfs/dbraw/zinc/40/75/86/1080407586.db2.gz BTQFKRDGUFPEQL-QAPCUYQASA-N 1 2 414.572 0.392 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542882653 1080408011 /nfs/dbraw/zinc/40/80/11/1080408011.db2.gz BTQFKRDGUFPEQL-YJBOKZPZSA-N 1 2 414.572 0.392 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542882653 1080407983 /nfs/dbraw/zinc/40/79/83/1080407983.db2.gz BTQFKRDGUFPEQL-YJBOKZPZSA-N 1 2 414.572 0.392 20 0 HCADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000542883110 1080422724 /nfs/dbraw/zinc/42/27/24/1080422724.db2.gz JKBOWRIQGRBSMX-BFYDXBDKSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000542883110 1080422716 /nfs/dbraw/zinc/42/27/16/1080422716.db2.gz JKBOWRIQGRBSMX-BFYDXBDKSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000542883112 1080422776 /nfs/dbraw/zinc/42/27/76/1080422776.db2.gz JKBOWRIQGRBSMX-HLLBOEOZSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000542883112 1080422771 /nfs/dbraw/zinc/42/27/71/1080422771.db2.gz JKBOWRIQGRBSMX-HLLBOEOZSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000542883114 1080422632 /nfs/dbraw/zinc/42/26/32/1080422632.db2.gz JKBOWRIQGRBSMX-INMHGKMJSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000542883114 1080422626 /nfs/dbraw/zinc/42/26/26/1080422626.db2.gz JKBOWRIQGRBSMX-INMHGKMJSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000542883116 1080422832 /nfs/dbraw/zinc/42/28/32/1080422832.db2.gz JKBOWRIQGRBSMX-VYDXJSESSA-N 1 2 414.572 0.425 20 0 HCADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000542883116 1080422823 /nfs/dbraw/zinc/42/28/23/1080422823.db2.gz JKBOWRIQGRBSMX-VYDXJSESSA-N 1 2 414.572 0.425 20 0 HCADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000542884497 1080425560 /nfs/dbraw/zinc/42/55/60/1080425560.db2.gz JKSLTUWTMHUIIU-MSOLQXFVSA-N 1 2 414.572 0.440 20 0 HCADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000542884497 1080425546 /nfs/dbraw/zinc/42/55/46/1080425546.db2.gz JKSLTUWTMHUIIU-MSOLQXFVSA-N 1 2 414.572 0.440 20 0 HCADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000542884498 1080425257 /nfs/dbraw/zinc/42/52/57/1080425257.db2.gz JKSLTUWTMHUIIU-QZTJIDSGSA-N 1 2 414.572 0.440 20 0 HCADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000542884498 1080425248 /nfs/dbraw/zinc/42/52/48/1080425248.db2.gz JKSLTUWTMHUIIU-QZTJIDSGSA-N 1 2 414.572 0.440 20 0 HCADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000542884500 1080425463 /nfs/dbraw/zinc/42/54/63/1080425463.db2.gz JKSLTUWTMHUIIU-ROUUACIJSA-N 1 2 414.572 0.440 20 0 HCADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000542884500 1080425454 /nfs/dbraw/zinc/42/54/54/1080425454.db2.gz JKSLTUWTMHUIIU-ROUUACIJSA-N 1 2 414.572 0.440 20 0 HCADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000542884502 1080425384 /nfs/dbraw/zinc/42/53/84/1080425384.db2.gz JKSLTUWTMHUIIU-ZWKOTPCHSA-N 1 2 414.572 0.440 20 0 HCADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000542884502 1080425372 /nfs/dbraw/zinc/42/53/72/1080425372.db2.gz JKSLTUWTMHUIIU-ZWKOTPCHSA-N 1 2 414.572 0.440 20 0 HCADLO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542886801 1080438024 /nfs/dbraw/zinc/43/80/24/1080438024.db2.gz NERHTWYOCLLRLY-KRWDZBQOSA-N 1 2 415.556 0.724 20 0 HCADLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542886801 1080438016 /nfs/dbraw/zinc/43/80/16/1080438016.db2.gz NERHTWYOCLLRLY-KRWDZBQOSA-N 1 2 415.556 0.724 20 0 HCADLO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542886803 1080438055 /nfs/dbraw/zinc/43/80/55/1080438055.db2.gz NERHTWYOCLLRLY-QGZVFWFLSA-N 1 2 415.556 0.724 20 0 HCADLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542886803 1080438047 /nfs/dbraw/zinc/43/80/47/1080438047.db2.gz NERHTWYOCLLRLY-QGZVFWFLSA-N 1 2 415.556 0.724 20 0 HCADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542887249 1080441157 /nfs/dbraw/zinc/44/11/57/1080441157.db2.gz ZIMCYAMKGPDZPV-KRWDZBQOSA-N 1 2 400.545 0.004 20 0 HCADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542887249 1080441141 /nfs/dbraw/zinc/44/11/41/1080441141.db2.gz ZIMCYAMKGPDZPV-KRWDZBQOSA-N 1 2 400.545 0.004 20 0 HCADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542887250 1080441103 /nfs/dbraw/zinc/44/11/03/1080441103.db2.gz ZIMCYAMKGPDZPV-QGZVFWFLSA-N 1 2 400.545 0.004 20 0 HCADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000542887250 1080441093 /nfs/dbraw/zinc/44/10/93/1080441093.db2.gz ZIMCYAMKGPDZPV-QGZVFWFLSA-N 1 2 400.545 0.004 20 0 HCADLO COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000542887602 1080436792 /nfs/dbraw/zinc/43/67/92/1080436792.db2.gz KODCJXQRGHVXCN-UHFFFAOYSA-N 1 2 417.466 0.670 20 0 HCADLO Cn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1=O ZINC000542889902 1080447150 /nfs/dbraw/zinc/44/71/50/1080447150.db2.gz SMHVOUGSTYAFAM-UHFFFAOYSA-N 1 2 401.442 0.401 20 0 HCADLO COc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1-n1cnnn1 ZINC000542902506 1080463643 /nfs/dbraw/zinc/46/36/43/1080463643.db2.gz BEWXDLSLKCUWRV-UHFFFAOYSA-N 1 2 413.482 0.441 20 0 HCADLO COc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1-n1cnnn1 ZINC000542902506 1080463636 /nfs/dbraw/zinc/46/36/36/1080463636.db2.gz BEWXDLSLKCUWRV-UHFFFAOYSA-N 1 2 413.482 0.441 20 0 HCADLO O=C(CN1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000542914784 1080486179 /nfs/dbraw/zinc/48/61/79/1080486179.db2.gz GSYBTIUMRSHBSC-FXAWDEMLSA-N 1 2 405.564 0.712 20 0 HCADLO O=C(CN1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000542914789 1080486170 /nfs/dbraw/zinc/48/61/70/1080486170.db2.gz GSYBTIUMRSHBSC-PXNSSMCTSA-N 1 2 405.564 0.712 20 0 HCADLO O=C(CN1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000542914791 1080486129 /nfs/dbraw/zinc/48/61/29/1080486129.db2.gz GSYBTIUMRSHBSC-XLIONFOSSA-N 1 2 405.564 0.712 20 0 HCADLO O=C(CN1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000542914793 1080486151 /nfs/dbraw/zinc/48/61/51/1080486151.db2.gz GSYBTIUMRSHBSC-YLJYHZDGSA-N 1 2 405.564 0.712 20 0 HCADLO O=C(CC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)N1CCCCC1 ZINC000542915808 1080486673 /nfs/dbraw/zinc/48/66/73/1080486673.db2.gz PEQPXIYDWDRZTM-UHFFFAOYSA-N 1 2 421.523 0.977 20 0 HCADLO Cc1nc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c2c([nH+]1)CCCC2 ZINC000542936525 1080524583 /nfs/dbraw/zinc/52/45/83/1080524583.db2.gz NMENBKXMWHUGHP-UHFFFAOYSA-N 1 2 405.480 0.867 20 0 HCADLO CCOC(=O)CC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cccnc1 ZINC000542940408 1080534322 /nfs/dbraw/zinc/53/43/22/1080534322.db2.gz VRPNPQVCCSCPFA-UHFFFAOYSA-N 1 2 402.495 0.918 20 0 HCADLO CCOC(=O)CC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cccnc1 ZINC000542940408 1080534303 /nfs/dbraw/zinc/53/43/03/1080534303.db2.gz VRPNPQVCCSCPFA-UHFFFAOYSA-N 1 2 402.495 0.918 20 0 HCADLO COCCNc1nc(N2CCOCC3(CC3)C2)[nH+]c(N2CCOCC3(CC3)C2)n1 ZINC000542967939 1080590264 /nfs/dbraw/zinc/59/02/64/1080590264.db2.gz UQAGTJSTTBDXTQ-UHFFFAOYSA-N 1 2 404.515 0.585 20 0 HCADLO C1CC12COCCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC4(CC4)C3)n1)C2 ZINC000542969418 1080591753 /nfs/dbraw/zinc/59/17/53/1080591753.db2.gz SHLGKBYMANMBCV-UHFFFAOYSA-N 1 2 416.526 0.942 20 0 HCADLO C1CC12COCCN(c1nc(N3CCOCC3)nc(N3CCOCC4(CC4)C3)[nH+]1)C2 ZINC000542969418 1080591748 /nfs/dbraw/zinc/59/17/48/1080591748.db2.gz SHLGKBYMANMBCV-UHFFFAOYSA-N 1 2 416.526 0.942 20 0 HCADLO O=S(=O)(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000542982213 1080651444 /nfs/dbraw/zinc/65/14/44/1080651444.db2.gz IPEWUVWWFCIFGI-UHFFFAOYSA-N 1 2 424.426 0.969 20 0 HCADLO O=C(CCNC(=O)C1(N2CCOCC2)CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000542982636 1080639713 /nfs/dbraw/zinc/63/97/13/1080639713.db2.gz OWUUDEXAFPOBAG-UHFFFAOYSA-N 1 2 401.511 0.491 20 0 HCADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)s1 ZINC000542985817 1080675056 /nfs/dbraw/zinc/67/50/56/1080675056.db2.gz LGJASDZRFOBVJK-UHFFFAOYSA-N 1 2 404.539 0.672 20 0 HCADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2CCOCC3(CC3)C2)c(=O)[nH]c1=O ZINC000542986655 1080685398 /nfs/dbraw/zinc/68/53/98/1080685398.db2.gz RARCTCDILCMQTE-UHFFFAOYSA-N 1 2 423.514 0.423 20 0 HCADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CCOCC3(CC3)C2)c(=O)[nH]c1=O ZINC000542986655 1080685395 /nfs/dbraw/zinc/68/53/95/1080685395.db2.gz RARCTCDILCMQTE-UHFFFAOYSA-N 1 2 423.514 0.423 20 0 HCADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(=O)n(C)c1=O ZINC000542987448 1080694260 /nfs/dbraw/zinc/69/42/60/1080694260.db2.gz KNLCSMSFHOFFKI-JTQLQIEISA-N 1 2 414.388 0.401 20 0 HCADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(=O)n(C)c1=O ZINC000542987448 1080694257 /nfs/dbraw/zinc/69/42/57/1080694257.db2.gz KNLCSMSFHOFFKI-JTQLQIEISA-N 1 2 414.388 0.401 20 0 HCADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(=O)n(C)c1=O ZINC000542987449 1080694201 /nfs/dbraw/zinc/69/42/01/1080694201.db2.gz KNLCSMSFHOFFKI-SNVBAGLBSA-N 1 2 414.388 0.401 20 0 HCADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(=O)n(C)c1=O ZINC000542987449 1080694196 /nfs/dbraw/zinc/69/41/96/1080694196.db2.gz KNLCSMSFHOFFKI-SNVBAGLBSA-N 1 2 414.388 0.401 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC(CCCO)CC3)ccn2)CC1 ZINC000542993489 1080765991 /nfs/dbraw/zinc/76/59/91/1080765991.db2.gz DRAKBMWGDAQCAT-UHFFFAOYSA-N 1 2 417.510 0.419 20 0 HCADLO COc1c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cccc1C(N)=O ZINC000542998117 1080782569 /nfs/dbraw/zinc/78/25/69/1080782569.db2.gz FJDKFIBXHLYIFR-GDBMZVCRSA-N 1 2 404.467 0.492 20 0 HCADLO COc1c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cccc1C(N)=O ZINC000542998119 1080782836 /nfs/dbraw/zinc/78/28/36/1080782836.db2.gz FJDKFIBXHLYIFR-GOEBONIOSA-N 1 2 404.467 0.492 20 0 HCADLO COc1c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cccc1C(N)=O ZINC000542998121 1080782806 /nfs/dbraw/zinc/78/28/06/1080782806.db2.gz FJDKFIBXHLYIFR-HOCLYGCPSA-N 1 2 404.467 0.492 20 0 HCADLO COc1c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cccc1C(N)=O ZINC000542998123 1080782989 /nfs/dbraw/zinc/78/29/89/1080782989.db2.gz FJDKFIBXHLYIFR-ZBFHGGJFSA-N 1 2 404.467 0.492 20 0 HCADLO O=C(Cn1cnc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)n1)N1CCCCCC1 ZINC000542999022 1080784343 /nfs/dbraw/zinc/78/43/43/1080784343.db2.gz ZDEWMIHFHVGOGC-UHFFFAOYSA-N 1 2 424.465 0.583 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000543006965 1080798101 /nfs/dbraw/zinc/79/81/01/1080798101.db2.gz OCVZGXYOGFRTAV-UHFFFAOYSA-N 1 2 406.483 0.104 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000543006965 1080798091 /nfs/dbraw/zinc/79/80/91/1080798091.db2.gz OCVZGXYOGFRTAV-UHFFFAOYSA-N 1 2 406.483 0.104 20 0 HCADLO COc1ncncc1NC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000543008665 1080805271 /nfs/dbraw/zinc/80/52/71/1080805271.db2.gz AZIKXBHIOHIUMT-UHFFFAOYSA-N 1 2 412.450 0.643 20 0 HCADLO COc1ncncc1NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000543012706 1080811435 /nfs/dbraw/zinc/81/14/35/1080811435.db2.gz VAKUODBMNWXNQG-UHFFFAOYSA-N 1 2 402.430 0.501 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc3c2OCO3)CC1 ZINC000543012732 1080811381 /nfs/dbraw/zinc/81/13/81/1080811381.db2.gz VLZDSDTWIODTCF-UHFFFAOYSA-N 1 2 409.406 0.379 20 0 HCADLO CC[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543027106 1080836046 /nfs/dbraw/zinc/83/60/46/1080836046.db2.gz WAIXUJXOSGYBDG-GRDNDAEWSA-N 1 2 400.401 0.736 20 0 HCADLO CC[N@@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543027106 1080836043 /nfs/dbraw/zinc/83/60/43/1080836043.db2.gz WAIXUJXOSGYBDG-GRDNDAEWSA-N 1 2 400.401 0.736 20 0 HCADLO CC[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543027108 1080835999 /nfs/dbraw/zinc/83/59/99/1080835999.db2.gz WAIXUJXOSGYBDG-JKIFEVAISA-N 1 2 400.401 0.736 20 0 HCADLO CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543027108 1080835997 /nfs/dbraw/zinc/83/59/97/1080835997.db2.gz WAIXUJXOSGYBDG-JKIFEVAISA-N 1 2 400.401 0.736 20 0 HCADLO CC[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543027110 1080835953 /nfs/dbraw/zinc/83/59/53/1080835953.db2.gz WAIXUJXOSGYBDG-KEYYUXOJSA-N 1 2 400.401 0.736 20 0 HCADLO CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543027110 1080835951 /nfs/dbraw/zinc/83/59/51/1080835951.db2.gz WAIXUJXOSGYBDG-KEYYUXOJSA-N 1 2 400.401 0.736 20 0 HCADLO CC[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543027112 1080836018 /nfs/dbraw/zinc/83/60/18/1080836018.db2.gz WAIXUJXOSGYBDG-ZQIUZPCESA-N 1 2 400.401 0.736 20 0 HCADLO CC[N@@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543027112 1080836014 /nfs/dbraw/zinc/83/60/14/1080836014.db2.gz WAIXUJXOSGYBDG-ZQIUZPCESA-N 1 2 400.401 0.736 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nnc(C(F)F)n2C)CC1 ZINC000543031769 1080837583 /nfs/dbraw/zinc/83/75/83/1080837583.db2.gz BLXKCQQKNJNHRO-UHFFFAOYSA-N 1 2 423.453 0.870 20 0 HCADLO Cc1cc(C)nc(N2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)n1 ZINC000543034628 1080845164 /nfs/dbraw/zinc/84/51/64/1080845164.db2.gz QCXIIYVTPGKBHL-UHFFFAOYSA-N 1 2 414.514 0.976 20 0 HCADLO COc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)ncn1 ZINC000543038197 1080852150 /nfs/dbraw/zinc/85/21/50/1080852150.db2.gz QXVFCZRIQRXEMK-UHFFFAOYSA-N 1 2 400.443 0.466 20 0 HCADLO COc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)ncn1 ZINC000543038197 1080852145 /nfs/dbraw/zinc/85/21/45/1080852145.db2.gz QXVFCZRIQRXEMK-UHFFFAOYSA-N 1 2 400.443 0.466 20 0 HCADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000543058226 1080868000 /nfs/dbraw/zinc/86/80/00/1080868000.db2.gz JZMRDHJETPTJDL-UHFFFAOYSA-N 1 2 401.471 0.483 20 0 HCADLO COC(=O)COc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000543079690 1080882095 /nfs/dbraw/zinc/88/20/95/1080882095.db2.gz MSMJYEJIVLYNEX-UHFFFAOYSA-N 1 2 403.435 0.032 20 0 HCADLO Cn1cnc2c1c(=O)n(CC(=O)N1CCC(CCCn3cc[nH+]c3)CC1)c(=O)n2C ZINC000543096458 1080897986 /nfs/dbraw/zinc/89/79/86/1080897986.db2.gz ZMMLVMSBQQDLHZ-UHFFFAOYSA-N 1 2 413.482 0.349 20 0 HCADLO COC(=O)C[NH+]1CCC(Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 ZINC000543110053 1080925056 /nfs/dbraw/zinc/92/50/56/1080925056.db2.gz JOFBAYJDBZJFIT-UHFFFAOYSA-N 1 2 417.466 0.616 20 0 HCADLO O=C(COCCNC(=O)c1ccccc1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000543141703 1080981466 /nfs/dbraw/zinc/98/14/66/1080981466.db2.gz ATHVNMRHFFRTBS-UHFFFAOYSA-N 1 2 401.467 0.600 20 0 HCADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543184670 1081026569 /nfs/dbraw/zinc/02/65/69/1081026569.db2.gz ZJSMMMOBVQQCLG-HNNXBMFYSA-N 1 2 417.528 0.068 20 0 HCADLO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543184670 1081026561 /nfs/dbraw/zinc/02/65/61/1081026561.db2.gz ZJSMMMOBVQQCLG-HNNXBMFYSA-N 1 2 417.528 0.068 20 0 HCADLO O=C(C[N@@H+]1CCSC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543184677 1081026987 /nfs/dbraw/zinc/02/69/87/1081026987.db2.gz ZJSMMMOBVQQCLG-OAHLLOKOSA-N 1 2 417.528 0.068 20 0 HCADLO O=C(C[N@H+]1CCSC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543184677 1081026977 /nfs/dbraw/zinc/02/69/77/1081026977.db2.gz ZJSMMMOBVQQCLG-OAHLLOKOSA-N 1 2 417.528 0.068 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000543204429 1081043094 /nfs/dbraw/zinc/04/30/94/1081043094.db2.gz VVUWALHFGZRISJ-GOSISDBHSA-N 1 2 418.542 0.826 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000543204446 1081042910 /nfs/dbraw/zinc/04/29/10/1081042910.db2.gz VVUWALHFGZRISJ-SFHVURJKSA-N 1 2 418.542 0.826 20 0 HCADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000543224828 1081054565 /nfs/dbraw/zinc/05/45/65/1081054565.db2.gz BNDUPFHKXICGTA-UHFFFAOYSA-N 1 2 400.439 0.716 20 0 HCADLO COC(=O)c1sccc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000543228812 1081056605 /nfs/dbraw/zinc/05/66/05/1081056605.db2.gz BYILFPGVAHCZDT-UHFFFAOYSA-N 1 2 422.507 0.630 20 0 HCADLO COC(=O)c1sccc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000543228812 1081056596 /nfs/dbraw/zinc/05/65/96/1081056596.db2.gz BYILFPGVAHCZDT-UHFFFAOYSA-N 1 2 422.507 0.630 20 0 HCADLO C[C@H]1C[C@H](CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000543234015 1081059143 /nfs/dbraw/zinc/05/91/43/1081059143.db2.gz SYMUQCNIKZUCJP-DLBZAZTESA-N 1 2 417.576 0.011 20 0 HCADLO C[C@@H]1C[C@H](CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000543234017 1081059357 /nfs/dbraw/zinc/05/93/57/1081059357.db2.gz SYMUQCNIKZUCJP-IAGOWNOFSA-N 1 2 417.576 0.011 20 0 HCADLO C[C@H]1C[C@@H](CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000543234018 1081058711 /nfs/dbraw/zinc/05/87/11/1081058711.db2.gz SYMUQCNIKZUCJP-IRXDYDNUSA-N 1 2 417.576 0.011 20 0 HCADLO C[C@@H]1C[C@@H](CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000543234019 1081058943 /nfs/dbraw/zinc/05/89/43/1081058943.db2.gz SYMUQCNIKZUCJP-SJORKVTESA-N 1 2 417.576 0.011 20 0 HCADLO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1OC ZINC000543245451 1081063930 /nfs/dbraw/zinc/06/39/30/1081063930.db2.gz PXOYEOVOWMXRII-UHFFFAOYSA-N 1 2 413.496 0.313 20 0 HCADLO O=C(COCCNC(=O)c1ccccc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000543255228 1081067731 /nfs/dbraw/zinc/06/77/31/1081067731.db2.gz CCKICFPEZKDYRP-UHFFFAOYSA-N 1 2 412.494 0.161 20 0 HCADLO Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000543256708 1081068246 /nfs/dbraw/zinc/06/82/46/1081068246.db2.gz KLZKUVHIESWRKB-AWEZNQCLSA-N 1 2 420.539 0.793 20 0 HCADLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000543256711 1081068698 /nfs/dbraw/zinc/06/86/98/1081068698.db2.gz KLZKUVHIESWRKB-CQSZACIVSA-N 1 2 420.539 0.793 20 0 HCADLO Cn1cc(C(C)(C)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000543257361 1081068823 /nfs/dbraw/zinc/06/88/23/1081068823.db2.gz VVQRQMVIVYHPQS-UHFFFAOYSA-N 1 2 420.539 0.361 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COCCNC(=O)c2ccccc2)CC1 ZINC000543268212 1081076248 /nfs/dbraw/zinc/07/62/48/1081076248.db2.gz KCKBNDISGKOZJW-UHFFFAOYSA-N 1 2 423.477 0.459 20 0 HCADLO O=C(NCCCNc1cccc(F)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000543269311 1081077568 /nfs/dbraw/zinc/07/75/68/1081077568.db2.gz RQXOMBPDCNMQKU-UHFFFAOYSA-N 1 2 418.473 0.911 20 0 HCADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000543281697 1081081986 /nfs/dbraw/zinc/08/19/86/1081081986.db2.gz LDILIVSOWSBWEN-UHFFFAOYSA-N 1 2 418.494 0.821 20 0 HCADLO O=C(C[N@H+]1CCCN(C(=O)COCCNC(=O)c2ccccc2)CC1)N1CCCC1 ZINC000543285490 1081087280 /nfs/dbraw/zinc/08/72/80/1081087280.db2.gz IDVNBJIIHHFQPR-UHFFFAOYSA-N 1 2 416.522 0.590 20 0 HCADLO O=C(C[N@@H+]1CCCN(C(=O)COCCNC(=O)c2ccccc2)CC1)N1CCCC1 ZINC000543285490 1081087277 /nfs/dbraw/zinc/08/72/77/1081087277.db2.gz IDVNBJIIHHFQPR-UHFFFAOYSA-N 1 2 416.522 0.590 20 0 HCADLO COCCNC(=O)Cn1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cn1 ZINC000543291144 1081089763 /nfs/dbraw/zinc/08/97/63/1081089763.db2.gz VVWPNHRXYJROBN-FQEVSTJZSA-N 1 2 415.494 0.782 20 0 HCADLO COCCNC(=O)Cn1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cn1 ZINC000543291145 1081089649 /nfs/dbraw/zinc/08/96/49/1081089649.db2.gz VVWPNHRXYJROBN-HXUWFJFHSA-N 1 2 415.494 0.782 20 0 HCADLO O=C(Cn1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cn1)NCCO ZINC000543294441 1081090455 /nfs/dbraw/zinc/09/04/55/1081090455.db2.gz LUHKCSKBGVHEME-IBGZPJMESA-N 1 2 401.467 0.128 20 0 HCADLO O=C(Cn1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cn1)NCCO ZINC000543294446 1081090469 /nfs/dbraw/zinc/09/04/69/1081090469.db2.gz LUHKCSKBGVHEME-LJQANCHMSA-N 1 2 401.467 0.128 20 0 HCADLO 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C[C@]1(CCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC(=O)N1 ZINC000543381683 1081156816 /nfs/dbraw/zinc/15/68/16/1081156816.db2.gz UIXWVJLUMMRFAH-IBGZPJMESA-N 1 2 423.539 0.099 20 0 HCADLO C[C@@]1(CCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC(=O)N1 ZINC000543381684 1081156604 /nfs/dbraw/zinc/15/66/04/1081156604.db2.gz UIXWVJLUMMRFAH-LJQANCHMSA-N 1 2 423.539 0.099 20 0 HCADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCCOCC[NH+](C)C)cn1 ZINC000543392005 1081162338 /nfs/dbraw/zinc/16/23/38/1081162338.db2.gz FIXSBFGCCBFTGK-UHFFFAOYSA-N 1 2 401.514 0.590 20 0 HCADLO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)CC1 ZINC000543396997 1081170298 /nfs/dbraw/zinc/17/02/98/1081170298.db2.gz SFTRHAJBTKBZJP-UHFFFAOYSA-N 1 2 410.569 0.544 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3c[nH+]cn3C)CC2)cc1 ZINC000543408579 1081185537 /nfs/dbraw/zinc/18/55/37/1081185537.db2.gz FPYTZMMNVZPXHI-UHFFFAOYSA-N 1 2 405.524 0.394 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc2ncnn21 ZINC000543430681 1081215357 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COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)N(C)c2ccccc2)[C@@H](C)C1 ZINC000556071213 1078407620 /nfs/dbraw/zinc/40/76/20/1078407620.db2.gz PMUXMNOEGFQLNH-IRXDYDNUSA-N 1 2 404.511 0.723 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)c2ccccc2)[C@@H](C)C1 ZINC000556071214 1078407602 /nfs/dbraw/zinc/40/76/02/1078407602.db2.gz PMUXMNOEGFQLNH-SJORKVTESA-N 1 2 404.511 0.723 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)c2ccccc2)[C@@H](C)C1 ZINC000556071214 1078407598 /nfs/dbraw/zinc/40/75/98/1078407598.db2.gz PMUXMNOEGFQLNH-SJORKVTESA-N 1 2 404.511 0.723 20 0 HCADLO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000556072651 1078408165 /nfs/dbraw/zinc/40/81/65/1078408165.db2.gz GGWJJEXZOWVGOM-UHFFFAOYSA-N 1 2 417.514 0.833 20 0 HCADLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000556076996 1078411269 /nfs/dbraw/zinc/41/12/69/1078411269.db2.gz CPPCMNRLAAIQPJ-JYJNAYRXSA-N 1 2 402.499 0.313 20 0 HCADLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000556076996 1078411262 /nfs/dbraw/zinc/41/12/62/1078411262.db2.gz CPPCMNRLAAIQPJ-JYJNAYRXSA-N 1 2 402.499 0.313 20 0 HCADLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000556076999 1078411401 /nfs/dbraw/zinc/41/14/01/1078411401.db2.gz CPPCMNRLAAIQPJ-XHSDSOJGSA-N 1 2 402.499 0.313 20 0 HCADLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000556076999 1078411397 /nfs/dbraw/zinc/41/13/97/1078411397.db2.gz CPPCMNRLAAIQPJ-XHSDSOJGSA-N 1 2 402.499 0.313 20 0 HCADLO COC(=O)c1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c[nH]1 ZINC000556077376 1078412573 /nfs/dbraw/zinc/41/25/73/1078412573.db2.gz GBUMEXHDGIFTRQ-HNNXBMFYSA-N 1 2 414.466 0.827 20 0 HCADLO COC(=O)c1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c[nH]1 ZINC000556077376 1078412569 /nfs/dbraw/zinc/41/25/69/1078412569.db2.gz GBUMEXHDGIFTRQ-HNNXBMFYSA-N 1 2 414.466 0.827 20 0 HCADLO COC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c[nH]1 ZINC000556077377 1078412935 /nfs/dbraw/zinc/41/29/35/1078412935.db2.gz GBUMEXHDGIFTRQ-OAHLLOKOSA-N 1 2 414.466 0.827 20 0 HCADLO COC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c[nH]1 ZINC000556077377 1078412933 /nfs/dbraw/zinc/41/29/33/1078412933.db2.gz GBUMEXHDGIFTRQ-OAHLLOKOSA-N 1 2 414.466 0.827 20 0 HCADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)nnn1Cc1ccccc1F ZINC000556079901 1078413901 /nfs/dbraw/zinc/41/39/01/1078413901.db2.gz FKAPVAUXLITHHO-ZDUSSCGKSA-N 1 2 404.446 0.237 20 0 HCADLO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000556080180 1078419311 /nfs/dbraw/zinc/41/93/11/1078419311.db2.gz CIXPUSDYGPWVKT-IBGZPJMESA-N 1 2 416.522 0.475 20 0 HCADLO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000556080181 1078419359 /nfs/dbraw/zinc/41/93/59/1078419359.db2.gz CIXPUSDYGPWVKT-LJQANCHMSA-N 1 2 416.522 0.475 20 0 HCADLO Cc1nc(N2CCN(C(=O)C(=O)NCC(=O)N(C)Cc3ccccc3)CC2)cc[nH+]1 ZINC000556081067 1078419953 /nfs/dbraw/zinc/41/99/53/1078419953.db2.gz NBKBCSWCLUBASE-UHFFFAOYSA-N 1 2 410.478 0.208 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@H]1O ZINC000556083393 1078423526 /nfs/dbraw/zinc/42/35/26/1078423526.db2.gz CEARUUUOYOLYAW-HZPDHXFCSA-N 1 2 406.483 0.653 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@H]1O ZINC000556083393 1078423522 /nfs/dbraw/zinc/42/35/22/1078423522.db2.gz CEARUUUOYOLYAW-HZPDHXFCSA-N 1 2 406.483 0.653 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@H]1O ZINC000556083395 1078423407 /nfs/dbraw/zinc/42/34/07/1078423407.db2.gz CEARUUUOYOLYAW-JKSUJKDBSA-N 1 2 406.483 0.653 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@H]1O ZINC000556083395 1078423402 /nfs/dbraw/zinc/42/34/02/1078423402.db2.gz CEARUUUOYOLYAW-JKSUJKDBSA-N 1 2 406.483 0.653 20 0 HCADLO COc1cccc(S(=O)(=O)CC[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)c1 ZINC000556084215 1078424148 /nfs/dbraw/zinc/42/41/48/1078424148.db2.gz AKZHQOVXYHEWHC-UHFFFAOYSA-N 1 2 407.496 0.684 20 0 HCADLO CS(=O)(=O)NCCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000556084279 1078424106 /nfs/dbraw/zinc/42/41/06/1078424106.db2.gz VHONQIXOGFRDAQ-UHFFFAOYSA-N 1 2 410.540 0.471 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1O ZINC000556085123 1078415517 /nfs/dbraw/zinc/41/55/17/1078415517.db2.gz LXBZJQCJQGYKML-ARFHVFGLSA-N 1 2 407.515 0.234 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1O ZINC000556085123 1078415514 /nfs/dbraw/zinc/41/55/14/1078415514.db2.gz LXBZJQCJQGYKML-ARFHVFGLSA-N 1 2 407.515 0.234 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1O ZINC000556085129 1078415504 /nfs/dbraw/zinc/41/55/04/1078415504.db2.gz LXBZJQCJQGYKML-BZUAXINKSA-N 1 2 407.515 0.234 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1O ZINC000556085129 1078415502 /nfs/dbraw/zinc/41/55/02/1078415502.db2.gz LXBZJQCJQGYKML-BZUAXINKSA-N 1 2 407.515 0.234 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1O ZINC000556085131 1078415568 /nfs/dbraw/zinc/41/55/68/1078415568.db2.gz LXBZJQCJQGYKML-HRCADAONSA-N 1 2 407.515 0.234 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1O ZINC000556085131 1078415566 /nfs/dbraw/zinc/41/55/66/1078415566.db2.gz LXBZJQCJQGYKML-HRCADAONSA-N 1 2 407.515 0.234 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1O ZINC000556085133 1078415486 /nfs/dbraw/zinc/41/54/86/1078415486.db2.gz LXBZJQCJQGYKML-OWCLPIDISA-N 1 2 407.515 0.234 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1O ZINC000556085133 1078415484 /nfs/dbraw/zinc/41/54/84/1078415484.db2.gz LXBZJQCJQGYKML-OWCLPIDISA-N 1 2 407.515 0.234 20 0 HCADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)c1 ZINC000556088126 1078417277 /nfs/dbraw/zinc/41/72/77/1078417277.db2.gz HDCRNVLAXIZJEY-UHFFFAOYSA-N 1 2 409.490 0.580 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@H]1O ZINC000556089408 1078430013 /nfs/dbraw/zinc/43/00/13/1078430013.db2.gz ZGLSFDXDHTZQDM-HZPDHXFCSA-N 1 2 412.531 0.464 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@H]1O ZINC000556089408 1078430011 /nfs/dbraw/zinc/43/00/11/1078430011.db2.gz ZGLSFDXDHTZQDM-HZPDHXFCSA-N 1 2 412.531 0.464 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@H]1O ZINC000556089410 1078429968 /nfs/dbraw/zinc/42/99/68/1078429968.db2.gz ZGLSFDXDHTZQDM-JKSUJKDBSA-N 1 2 412.531 0.464 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@H]1O ZINC000556089410 1078429967 /nfs/dbraw/zinc/42/99/67/1078429967.db2.gz ZGLSFDXDHTZQDM-JKSUJKDBSA-N 1 2 412.531 0.464 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1O ZINC000556089942 1078418283 /nfs/dbraw/zinc/41/82/83/1078418283.db2.gz RRMLPVDPFZZVCP-HZPDHXFCSA-N 1 2 409.552 0.951 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1O ZINC000556089942 1078418282 /nfs/dbraw/zinc/41/82/82/1078418282.db2.gz RRMLPVDPFZZVCP-HZPDHXFCSA-N 1 2 409.552 0.951 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1O ZINC000556089943 1078418309 /nfs/dbraw/zinc/41/83/09/1078418309.db2.gz RRMLPVDPFZZVCP-JKSUJKDBSA-N 1 2 409.552 0.951 20 0 HCADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1O ZINC000556089943 1078418306 /nfs/dbraw/zinc/41/83/06/1078418306.db2.gz RRMLPVDPFZZVCP-JKSUJKDBSA-N 1 2 409.552 0.951 20 0 HCADLO CC(C)CCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000556097752 1078431335 /nfs/dbraw/zinc/43/13/35/1078431335.db2.gz DKUJFNGOZRDZMR-UHFFFAOYSA-N 1 2 404.515 0.514 20 0 HCADLO CC(C)CCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000556097752 1078431334 /nfs/dbraw/zinc/43/13/34/1078431334.db2.gz DKUJFNGOZRDZMR-UHFFFAOYSA-N 1 2 404.515 0.514 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 ZINC000556097958 1078430612 /nfs/dbraw/zinc/43/06/12/1078430612.db2.gz ITYBCMAUXSGDSV-FQEVSTJZSA-N 1 2 418.538 0.275 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)CC1 ZINC000556097959 1078430599 /nfs/dbraw/zinc/43/05/99/1078430599.db2.gz ITYBCMAUXSGDSV-HXUWFJFHSA-N 1 2 418.538 0.275 20 0 HCADLO Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n[nH]1 ZINC000556100880 1078434389 /nfs/dbraw/zinc/43/43/89/1078434389.db2.gz JXERRUAYIVKFGK-JXFKEZNVSA-N 1 2 412.538 0.870 20 0 HCADLO Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)n[nH]1 ZINC000556100881 1078434283 /nfs/dbraw/zinc/43/42/83/1078434283.db2.gz JXERRUAYIVKFGK-OXJNMPFZSA-N 1 2 412.538 0.870 20 0 HCADLO Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)n[nH]1 ZINC000556100883 1078434480 /nfs/dbraw/zinc/43/44/80/1078434480.db2.gz JXERRUAYIVKFGK-OXQOHEQNSA-N 1 2 412.538 0.870 20 0 HCADLO Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n[nH]1 ZINC000556100885 1078434306 /nfs/dbraw/zinc/43/43/06/1078434306.db2.gz JXERRUAYIVKFGK-UZLBHIALSA-N 1 2 412.538 0.870 20 0 HCADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000556109368 1078442819 /nfs/dbraw/zinc/44/28/19/1078442819.db2.gz HEBLFQXFUPNIEB-GOSISDBHSA-N 1 2 417.554 0.983 20 0 HCADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000556109371 1078442806 /nfs/dbraw/zinc/44/28/06/1078442806.db2.gz HEBLFQXFUPNIEB-SFHVURJKSA-N 1 2 417.554 0.983 20 0 HCADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000556114105 1078437924 /nfs/dbraw/zinc/43/79/24/1078437924.db2.gz ZZBQWRHRSPYCLC-MSOLQXFVSA-N 1 2 407.536 0.975 20 0 HCADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000556114106 1078437934 /nfs/dbraw/zinc/43/79/34/1078437934.db2.gz ZZBQWRHRSPYCLC-QZTJIDSGSA-N 1 2 407.536 0.975 20 0 HCADLO CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000556114107 1078437852 /nfs/dbraw/zinc/43/78/52/1078437852.db2.gz ZZBQWRHRSPYCLC-ROUUACIJSA-N 1 2 407.536 0.975 20 0 HCADLO CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000556114108 1078437881 /nfs/dbraw/zinc/43/78/81/1078437881.db2.gz ZZBQWRHRSPYCLC-ZWKOTPCHSA-N 1 2 407.536 0.975 20 0 HCADLO CC[C@H](NC(=O)C(=O)N1CC[NH+](CC)CC1)c1ccccc1OCC(=O)N(C)C ZINC000556114161 1078449641 /nfs/dbraw/zinc/44/96/41/1078449641.db2.gz SSFMBYCLJHPDGS-KRWDZBQOSA-N 1 2 404.511 0.885 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N1CC[NH+](CC)CC1)c1ccccc1OCC(=O)N(C)C ZINC000556114162 1078449681 /nfs/dbraw/zinc/44/96/81/1078449681.db2.gz SSFMBYCLJHPDGS-QGZVFWFLSA-N 1 2 404.511 0.885 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000556116752 1078451729 /nfs/dbraw/zinc/45/17/29/1078451729.db2.gz ZUGZKSQCTKMRJW-UHFFFAOYSA-N 1 2 405.480 0.224 20 0 HCADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)nnn1CCOc1ccc(F)cc1 ZINC000556120744 1078452951 /nfs/dbraw/zinc/45/29/51/1078452951.db2.gz XWCMCLYUADLSIM-CYBMUJFWSA-N 1 2 404.446 0.906 20 0 HCADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)nnn1CCOc1ccc(F)cc1 ZINC000556120744 1078452948 /nfs/dbraw/zinc/45/29/48/1078452948.db2.gz XWCMCLYUADLSIM-CYBMUJFWSA-N 1 2 404.446 0.906 20 0 HCADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)nnn1CCOc1ccc(F)cc1 ZINC000556120745 1078453332 /nfs/dbraw/zinc/45/33/32/1078453332.db2.gz XWCMCLYUADLSIM-ZDUSSCGKSA-N 1 2 404.446 0.906 20 0 HCADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)nnn1CCOc1ccc(F)cc1 ZINC000556120745 1078453328 /nfs/dbraw/zinc/45/33/28/1078453328.db2.gz XWCMCLYUADLSIM-ZDUSSCGKSA-N 1 2 404.446 0.906 20 0 HCADLO NS(=O)(=O)c1cc(Cl)cc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000556122583 1078447696 /nfs/dbraw/zinc/44/76/96/1078447696.db2.gz HBVYYIRPGBFXEC-UHFFFAOYSA-N 1 2 400.932 0.727 20 0 HCADLO O=C(Nc1cn(Cc2ccccc2)nn1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000556129206 1078456457 /nfs/dbraw/zinc/45/64/57/1078456457.db2.gz VAHUHHPXPVAUJQ-GOSISDBHSA-N 1 2 412.494 0.978 20 0 HCADLO O=C(Nc1cn(Cc2ccccc2)nn1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000556129207 1078456498 /nfs/dbraw/zinc/45/64/98/1078456498.db2.gz VAHUHHPXPVAUJQ-SFHVURJKSA-N 1 2 412.494 0.978 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000556132860 1078457264 /nfs/dbraw/zinc/45/72/64/1078457264.db2.gz DLUHKFQVMKRDRB-GFCCVEGCSA-N 1 2 404.294 0.761 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000556132861 1078457208 /nfs/dbraw/zinc/45/72/08/1078457208.db2.gz DLUHKFQVMKRDRB-LBPRGKRZSA-N 1 2 404.294 0.761 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000556134870 1078454185 /nfs/dbraw/zinc/45/41/85/1078454185.db2.gz YWXCHSZJKIKVKT-HNNXBMFYSA-N 1 2 418.494 0.100 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000556134870 1078454181 /nfs/dbraw/zinc/45/41/81/1078454181.db2.gz YWXCHSZJKIKVKT-HNNXBMFYSA-N 1 2 418.494 0.100 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000556134871 1078454064 /nfs/dbraw/zinc/45/40/64/1078454064.db2.gz YWXCHSZJKIKVKT-OAHLLOKOSA-N 1 2 418.494 0.100 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000556134871 1078454059 /nfs/dbraw/zinc/45/40/59/1078454059.db2.gz YWXCHSZJKIKVKT-OAHLLOKOSA-N 1 2 418.494 0.100 20 0 HCADLO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000556135843 1078454952 /nfs/dbraw/zinc/45/49/52/1078454952.db2.gz CTLDMYXZUDNLEQ-MOPGFXCFSA-N 1 2 416.522 0.764 20 0 HCADLO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000556135844 1078454966 /nfs/dbraw/zinc/45/49/66/1078454966.db2.gz CTLDMYXZUDNLEQ-OALUTQOASA-N 1 2 416.522 0.764 20 0 HCADLO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000556135845 1078455015 /nfs/dbraw/zinc/45/50/15/1078455015.db2.gz CTLDMYXZUDNLEQ-RBUKOAKNSA-N 1 2 416.522 0.764 20 0 HCADLO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000556135846 1078454976 /nfs/dbraw/zinc/45/49/76/1078454976.db2.gz CTLDMYXZUDNLEQ-RTBURBONSA-N 1 2 416.522 0.764 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000556148646 1078462245 /nfs/dbraw/zinc/46/22/45/1078462245.db2.gz FUMXUAAVGVVUDQ-MSOLQXFVSA-N 1 2 420.510 0.483 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000556148647 1078462303 /nfs/dbraw/zinc/46/23/03/1078462303.db2.gz FUMXUAAVGVVUDQ-QZTJIDSGSA-N 1 2 420.510 0.483 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000556148648 1078462275 /nfs/dbraw/zinc/46/22/75/1078462275.db2.gz FUMXUAAVGVVUDQ-ROUUACIJSA-N 1 2 420.510 0.483 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000556148649 1078462317 /nfs/dbraw/zinc/46/23/17/1078462317.db2.gz FUMXUAAVGVVUDQ-ZWKOTPCHSA-N 1 2 420.510 0.483 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cn1 ZINC000556150542 1078463601 /nfs/dbraw/zinc/46/36/01/1078463601.db2.gz FMHGCEKDZIBSSR-UHFFFAOYSA-N 1 2 401.467 0.615 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cn1 ZINC000556151133 1078463995 /nfs/dbraw/zinc/46/39/95/1078463995.db2.gz GPLCJBBDDSQJBY-UHFFFAOYSA-N 1 2 401.467 0.914 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC000556151326 1078464588 /nfs/dbraw/zinc/46/45/88/1078464588.db2.gz JWSLAXXFSJAUEG-UHFFFAOYSA-N 1 2 408.499 0.292 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000556151326 1078464585 /nfs/dbraw/zinc/46/45/85/1078464585.db2.gz JWSLAXXFSJAUEG-UHFFFAOYSA-N 1 2 408.499 0.292 20 0 HCADLO COCCOc1ncccc1CNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556152751 1078464882 /nfs/dbraw/zinc/46/48/82/1078464882.db2.gz BKRRTBJBCYFPED-UHFFFAOYSA-N 1 2 413.478 0.903 20 0 HCADLO COCCOc1ncccc1CNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000556153717 1078461206 /nfs/dbraw/zinc/46/12/06/1078461206.db2.gz WZRSLUQVBSCCDE-UHFFFAOYSA-N 1 2 401.467 0.914 20 0 HCADLO C[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556173195 1078482233 /nfs/dbraw/zinc/48/22/33/1078482233.db2.gz ONAQEHDAOVSABJ-INIZCTEOSA-N 1 2 423.539 0.051 20 0 HCADLO C[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556173196 1078482467 /nfs/dbraw/zinc/48/24/67/1078482467.db2.gz ONAQEHDAOVSABJ-MRXNPFEDSA-N 1 2 423.539 0.051 20 0 HCADLO CC(C)OCc1ccccc1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000556174480 1078483234 /nfs/dbraw/zinc/48/32/34/1078483234.db2.gz FCBAKVCMDZCVTP-IBGZPJMESA-N 1 2 407.511 0.379 20 0 HCADLO CC(C)OCc1ccccc1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000556174486 1078483332 /nfs/dbraw/zinc/48/33/32/1078483332.db2.gz FCBAKVCMDZCVTP-LJQANCHMSA-N 1 2 407.511 0.379 20 0 HCADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000556180286 1078477002 /nfs/dbraw/zinc/47/70/02/1078477002.db2.gz CCZYFDWYVKKYDG-UHFFFAOYSA-N 1 2 416.522 0.999 20 0 HCADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000556180286 1078476996 /nfs/dbraw/zinc/47/69/96/1078476996.db2.gz CCZYFDWYVKKYDG-UHFFFAOYSA-N 1 2 416.522 0.999 20 0 HCADLO CC(C)N(C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000556181201 1078501858 /nfs/dbraw/zinc/50/18/58/1078501858.db2.gz CSVNYTITRMAJFY-UHFFFAOYSA-N 1 2 423.539 0.049 20 0 HCADLO Cc1cccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000556188013 1078493936 /nfs/dbraw/zinc/49/39/36/1078493936.db2.gz DWPRDVJAKBZIKU-UHFFFAOYSA-N 1 2 410.478 0.256 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCCC[C@H]1CCO ZINC000556193621 1078507739 /nfs/dbraw/zinc/50/77/39/1078507739.db2.gz UIJVEXIEPBXUPK-IBGZPJMESA-N 1 2 406.502 0.827 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCCC[C@@H]1CCO ZINC000556193631 1078507668 /nfs/dbraw/zinc/50/76/68/1078507668.db2.gz UIJVEXIEPBXUPK-LJQANCHMSA-N 1 2 406.502 0.827 20 0 HCADLO COCC1(O)CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000556193654 1078507234 /nfs/dbraw/zinc/50/72/34/1078507234.db2.gz UPJYAZJTCHVQBA-UHFFFAOYSA-N 1 2 422.501 0.064 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000556194519 1078508527 /nfs/dbraw/zinc/50/85/27/1078508527.db2.gz CJZZRDZKVXZNAN-UHFFFAOYSA-N 1 2 422.533 0.669 20 0 HCADLO CN(C)c1nccc(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000556194924 1078508387 /nfs/dbraw/zinc/50/83/87/1078508387.db2.gz JBBHMBMHRAWHHJ-UHFFFAOYSA-N 1 2 411.510 0.097 20 0 HCADLO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556195413 1078510846 /nfs/dbraw/zinc/51/08/46/1078510846.db2.gz ZECMVELALUZMGP-GOSISDBHSA-N 1 2 415.538 0.442 20 0 HCADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556195414 1078510886 /nfs/dbraw/zinc/51/08/86/1078510886.db2.gz ZECMVELALUZMGP-SFHVURJKSA-N 1 2 415.538 0.442 20 0 HCADLO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000556196433 1078513305 /nfs/dbraw/zinc/51/33/05/1078513305.db2.gz AJXUBPLDUFTUCP-NRFANRHFSA-N 1 2 420.485 0.476 20 0 HCADLO COC(=O)[C@]1(C)CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000556196434 1078513210 /nfs/dbraw/zinc/51/32/10/1078513210.db2.gz AJXUBPLDUFTUCP-OAQYLSRUSA-N 1 2 420.485 0.476 20 0 HCADLO CCC(=O)N1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556196515 1078512890 /nfs/dbraw/zinc/51/28/90/1078512890.db2.gz BBDRJWZKGSQMTK-UHFFFAOYSA-N 1 2 415.538 0.396 20 0 HCADLO C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)N1CCOCC1 ZINC000556196523 1078512951 /nfs/dbraw/zinc/51/29/51/1078512951.db2.gz BHFLJMDIXWVZGF-MOPGFXCFSA-N 1 2 417.554 0.150 20 0 HCADLO C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)N1CCOCC1 ZINC000556196524 1078512971 /nfs/dbraw/zinc/51/29/71/1078512971.db2.gz BHFLJMDIXWVZGF-OALUTQOASA-N 1 2 417.554 0.150 20 0 HCADLO C[C@H]([C@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)N1CCOCC1 ZINC000556196525 1078512579 /nfs/dbraw/zinc/51/25/79/1078512579.db2.gz BHFLJMDIXWVZGF-RBUKOAKNSA-N 1 2 417.554 0.150 20 0 HCADLO C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)N1CCOCC1 ZINC000556196526 1078512444 /nfs/dbraw/zinc/51/24/44/1078512444.db2.gz BHFLJMDIXWVZGF-RTBURBONSA-N 1 2 417.554 0.150 20 0 HCADLO CC(C)OC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000556196572 1078513464 /nfs/dbraw/zinc/51/34/64/1078513464.db2.gz COWZMMNOEUCAAA-FQEVSTJZSA-N 1 2 418.538 0.577 20 0 HCADLO CC(C)OC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000556196574 1078513732 /nfs/dbraw/zinc/51/37/32/1078513732.db2.gz COWZMMNOEUCAAA-HXUWFJFHSA-N 1 2 418.538 0.577 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000556196721 1078512624 /nfs/dbraw/zinc/51/26/24/1078512624.db2.gz CSZFPDCHSKQIOD-MOPGFXCFSA-N 1 2 413.522 0.194 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000556196724 1078512845 /nfs/dbraw/zinc/51/28/45/1078512845.db2.gz CSZFPDCHSKQIOD-OALUTQOASA-N 1 2 413.522 0.194 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000556196725 1078512487 /nfs/dbraw/zinc/51/24/87/1078512487.db2.gz CSZFPDCHSKQIOD-RBUKOAKNSA-N 1 2 413.522 0.194 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000556196726 1078512654 /nfs/dbraw/zinc/51/26/54/1078512654.db2.gz CSZFPDCHSKQIOD-RTBURBONSA-N 1 2 413.522 0.194 20 0 HCADLO CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556196878 1078511814 /nfs/dbraw/zinc/51/18/14/1078511814.db2.gz GGZDBBHQPIUYMC-APWZRJJASA-N 1 2 406.502 0.995 20 0 HCADLO CO[C@H]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556196879 1078512007 /nfs/dbraw/zinc/51/20/07/1078512007.db2.gz GGZDBBHQPIUYMC-LPHOPBHVSA-N 1 2 406.502 0.995 20 0 HCADLO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556196880 1078511931 /nfs/dbraw/zinc/51/19/31/1078511931.db2.gz GGZDBBHQPIUYMC-QFBILLFUSA-N 1 2 406.502 0.995 20 0 HCADLO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556196881 1078512528 /nfs/dbraw/zinc/51/25/28/1078512528.db2.gz GGZDBBHQPIUYMC-VQIMIIECSA-N 1 2 406.502 0.995 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N(CCO)Cc1ccccc1 ZINC000556196959 1078511741 /nfs/dbraw/zinc/51/17/41/1078511741.db2.gz HHPGXXZEDNUWAC-UHFFFAOYSA-N 1 2 410.518 0.946 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N(CCCCO)C1CC1 ZINC000556196972 1078511699 /nfs/dbraw/zinc/51/16/99/1078511699.db2.gz HMLNONDEAKIMER-UHFFFAOYSA-N 1 2 406.502 0.827 20 0 HCADLO O=C(NCCCOC(F)F)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556197098 1078510819 /nfs/dbraw/zinc/51/08/19/1078510819.db2.gz BGJHMSAGVQQUDU-UHFFFAOYSA-N 1 2 402.417 0.809 20 0 HCADLO C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556197161 1078513519 /nfs/dbraw/zinc/51/35/19/1078513519.db2.gz CZTZAMLEJSVBAG-APWZRJJASA-N 1 2 406.502 0.826 20 0 HCADLO C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556197162 1078513604 /nfs/dbraw/zinc/51/36/04/1078513604.db2.gz CZTZAMLEJSVBAG-LPHOPBHVSA-N 1 2 406.502 0.826 20 0 HCADLO C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556197163 1078513432 /nfs/dbraw/zinc/51/34/32/1078513432.db2.gz CZTZAMLEJSVBAG-QFBILLFUSA-N 1 2 406.502 0.826 20 0 HCADLO C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556197164 1078514186 /nfs/dbraw/zinc/51/41/86/1078514186.db2.gz CZTZAMLEJSVBAG-VQIMIIECSA-N 1 2 406.502 0.826 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000556197383 1078515757 /nfs/dbraw/zinc/51/57/57/1078515757.db2.gz NLBUPSYKCHDHKX-MSOLQXFVSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000556197384 1078515871 /nfs/dbraw/zinc/51/58/71/1078515871.db2.gz NLBUPSYKCHDHKX-QZTJIDSGSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000556197385 1078516125 /nfs/dbraw/zinc/51/61/25/1078516125.db2.gz NLBUPSYKCHDHKX-ROUUACIJSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000556197386 1078516009 /nfs/dbraw/zinc/51/60/09/1078516009.db2.gz NLBUPSYKCHDHKX-ZWKOTPCHSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000556197417 1078516152 /nfs/dbraw/zinc/51/61/52/1078516152.db2.gz OELAICOCWDLWOR-IBGZPJMESA-N 1 2 404.486 0.701 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000556197418 1078515530 /nfs/dbraw/zinc/51/55/30/1078515530.db2.gz OELAICOCWDLWOR-LJQANCHMSA-N 1 2 404.486 0.701 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCOC2(CCC2)C1 ZINC000556197459 1078515792 /nfs/dbraw/zinc/51/57/92/1078515792.db2.gz PQDGTNSNTYGZQK-UHFFFAOYSA-N 1 2 404.486 0.845 20 0 HCADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556197462 1078515630 /nfs/dbraw/zinc/51/56/30/1078515630.db2.gz PTNSRVVJAHDLKM-KRWDZBQOSA-N 1 2 401.511 0.052 20 0 HCADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556197463 1078516034 /nfs/dbraw/zinc/51/60/34/1078516034.db2.gz PTNSRVVJAHDLKM-QGZVFWFLSA-N 1 2 401.511 0.052 20 0 HCADLO CC(C)N1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000556197592 1078515034 /nfs/dbraw/zinc/51/50/34/1078515034.db2.gz QIYANBDHPHTXIL-GOSISDBHSA-N 1 2 419.501 0.189 20 0 HCADLO CC(C)N1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000556197594 1078514731 /nfs/dbraw/zinc/51/47/31/1078514731.db2.gz QIYANBDHPHTXIL-SFHVURJKSA-N 1 2 419.501 0.189 20 0 HCADLO CC1(C)COCCN1CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556197909 1078515270 /nfs/dbraw/zinc/51/52/70/1078515270.db2.gz SRBLGDOADFHVIS-UHFFFAOYSA-N 1 2 417.554 0.152 20 0 HCADLO CCOCCN1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556198052 1078514109 /nfs/dbraw/zinc/51/41/09/1078514109.db2.gz WDBPHTBFOHFYAY-UHFFFAOYSA-N 1 2 417.554 0.106 20 0 HCADLO O=C(NCCc1nccs1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556198244 1078503457 /nfs/dbraw/zinc/50/34/57/1078503457.db2.gz RMUALYLFLKFYLO-UHFFFAOYSA-N 1 2 405.499 0.879 20 0 HCADLO COCCOC[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556198263 1078503289 /nfs/dbraw/zinc/50/32/89/1078503289.db2.gz SBHBWAZYELQITI-IBGZPJMESA-N 1 2 418.538 0.436 20 0 HCADLO COCCOC[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556198264 1078503169 /nfs/dbraw/zinc/50/31/69/1078503169.db2.gz SBHBWAZYELQITI-LJQANCHMSA-N 1 2 418.538 0.436 20 0 HCADLO CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556198280 1078503193 /nfs/dbraw/zinc/50/31/93/1078503193.db2.gz WUSPHZIKFOTDJI-KRWDZBQOSA-N 1 2 404.511 0.725 20 0 HCADLO CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556198281 1078503482 /nfs/dbraw/zinc/50/34/82/1078503482.db2.gz WUSPHZIKFOTDJI-QGZVFWFLSA-N 1 2 404.511 0.725 20 0 HCADLO CNC(=O)C1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556199251 1078503819 /nfs/dbraw/zinc/50/38/19/1078503819.db2.gz FREQFCHVWUMAKQ-UHFFFAOYSA-N 1 2 415.538 0.346 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCSC[C@H]1CCO ZINC000556199268 1078524067 /nfs/dbraw/zinc/52/40/67/1078524067.db2.gz GEXUAJZNHYABEV-GOSISDBHSA-N 1 2 424.542 0.390 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCSC[C@@H]1CCO ZINC000556199269 1078523895 /nfs/dbraw/zinc/52/38/95/1078523895.db2.gz GEXUAJZNHYABEV-SFHVURJKSA-N 1 2 424.542 0.390 20 0 HCADLO C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C2CC2)O1 ZINC000556199271 1078524085 /nfs/dbraw/zinc/52/40/85/1078524085.db2.gz GISITBFHMDAEHT-FXAWDEMLSA-N 1 2 400.523 0.951 20 0 HCADLO C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C2CC2)O1 ZINC000556199272 1078524124 /nfs/dbraw/zinc/52/41/24/1078524124.db2.gz GISITBFHMDAEHT-PXNSSMCTSA-N 1 2 400.523 0.951 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C2CC2)O1 ZINC000556199273 1078524002 /nfs/dbraw/zinc/52/40/02/1078524002.db2.gz GISITBFHMDAEHT-XLIONFOSSA-N 1 2 400.523 0.951 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C2CC2)O1 ZINC000556199274 1078523984 /nfs/dbraw/zinc/52/39/84/1078523984.db2.gz GISITBFHMDAEHT-YLJYHZDGSA-N 1 2 400.523 0.951 20 0 HCADLO COC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000556199405 1078523429 /nfs/dbraw/zinc/52/34/29/1078523429.db2.gz KLTDWTHVRGRPBL-APWZRJJASA-N 1 2 422.501 0.326 20 0 HCADLO COC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000556199406 1078523540 /nfs/dbraw/zinc/52/35/40/1078523540.db2.gz KLTDWTHVRGRPBL-LPHOPBHVSA-N 1 2 422.501 0.326 20 0 HCADLO COC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000556199407 1078523121 /nfs/dbraw/zinc/52/31/21/1078523121.db2.gz KLTDWTHVRGRPBL-QFBILLFUSA-N 1 2 422.501 0.326 20 0 HCADLO COC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000556199408 1078523241 /nfs/dbraw/zinc/52/32/41/1078523241.db2.gz KLTDWTHVRGRPBL-VQIMIIECSA-N 1 2 422.501 0.326 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000556199441 1078523021 /nfs/dbraw/zinc/52/30/21/1078523021.db2.gz LCRJFTCVBSCDPP-KRWDZBQOSA-N 1 2 413.522 0.052 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000556199442 1078523151 /nfs/dbraw/zinc/52/31/51/1078523151.db2.gz LCRJFTCVBSCDPP-QGZVFWFLSA-N 1 2 413.522 0.052 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000556199455 1078523075 /nfs/dbraw/zinc/52/30/75/1078523075.db2.gz LMGHRFLQGXUSGC-GOSISDBHSA-N 1 2 414.428 0.451 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000556199456 1078523211 /nfs/dbraw/zinc/52/32/11/1078523211.db2.gz LMGHRFLQGXUSGC-SFHVURJKSA-N 1 2 414.428 0.451 20 0 HCADLO Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556199583 1078522448 /nfs/dbraw/zinc/52/24/48/1078522448.db2.gz QBIAQGQYAKEFPD-GOSISDBHSA-N 1 2 411.510 0.417 20 0 HCADLO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556199584 1078522467 /nfs/dbraw/zinc/52/24/67/1078522467.db2.gz QBIAQGQYAKEFPD-SFHVURJKSA-N 1 2 411.510 0.417 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000556199698 1078521609 /nfs/dbraw/zinc/52/16/09/1078521609.db2.gz SUIUWABPKOZCHM-UHFFFAOYSA-N 1 2 409.490 0.610 20 0 HCADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000556199733 1078522547 /nfs/dbraw/zinc/52/25/47/1078522547.db2.gz UPPQXPHDKIIBCW-KRWDZBQOSA-N 1 2 419.501 0.191 20 0 HCADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000556199734 1078522765 /nfs/dbraw/zinc/52/27/65/1078522765.db2.gz UPPQXPHDKIIBCW-QGZVFWFLSA-N 1 2 419.501 0.191 20 0 HCADLO CN(CC1CCOCC1)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556199750 1078522696 /nfs/dbraw/zinc/52/26/96/1078522696.db2.gz UUYKHTLWQJRNOP-UHFFFAOYSA-N 1 2 406.502 0.949 20 0 HCADLO CCn1cc(CN(C)C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000556199864 1078521495 /nfs/dbraw/zinc/52/14/95/1078521495.db2.gz XRIPYMIJMFOZAM-UHFFFAOYSA-N 1 2 416.501 0.939 20 0 HCADLO NC(=O)c1cccc(CCNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000556199888 1078522032 /nfs/dbraw/zinc/52/20/32/1078522032.db2.gz YDCGIYDPVVFZNN-UHFFFAOYSA-N 1 2 423.517 0.383 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)CC1 ZINC000556203774 1078528489 /nfs/dbraw/zinc/52/84/89/1078528489.db2.gz ABLZYBYCSDJNLZ-UHFFFAOYSA-N 1 2 404.511 0.320 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2c(C)nn(C)c2C)CC1 ZINC000556214585 1078536687 /nfs/dbraw/zinc/53/66/87/1078536687.db2.gz MAFVCJLZHOPLRS-UHFFFAOYSA-N 1 2 406.531 0.056 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2c(C)nn(C)c2C)CC1 ZINC000556214585 1078536681 /nfs/dbraw/zinc/53/66/81/1078536681.db2.gz MAFVCJLZHOPLRS-UHFFFAOYSA-N 1 2 406.531 0.056 20 0 HCADLO CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000556215054 1078536826 /nfs/dbraw/zinc/53/68/26/1078536826.db2.gz MAXUIRNDVFUPTC-UWVAXJGDSA-N 1 2 419.526 0.591 20 0 HCADLO CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000556215065 1078536732 /nfs/dbraw/zinc/53/67/32/1078536732.db2.gz MAXUIRNDVFUPTC-ZWOKBUDYSA-N 1 2 419.526 0.591 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000556217451 1078531295 /nfs/dbraw/zinc/53/12/95/1078531295.db2.gz SWXAJVRHWTWSFO-CVEARBPZSA-N 1 2 421.494 0.675 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000556217451 1078531285 /nfs/dbraw/zinc/53/12/85/1078531285.db2.gz SWXAJVRHWTWSFO-CVEARBPZSA-N 1 2 421.494 0.675 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000556217458 1078531440 /nfs/dbraw/zinc/53/14/40/1078531440.db2.gz SWXAJVRHWTWSFO-HOTGVXAUSA-N 1 2 421.494 0.675 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000556217458 1078531427 /nfs/dbraw/zinc/53/14/27/1078531427.db2.gz SWXAJVRHWTWSFO-HOTGVXAUSA-N 1 2 421.494 0.675 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000556217459 1078531139 /nfs/dbraw/zinc/53/11/39/1078531139.db2.gz SWXAJVRHWTWSFO-HZPDHXFCSA-N 1 2 421.494 0.675 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000556217459 1078531124 /nfs/dbraw/zinc/53/11/24/1078531124.db2.gz SWXAJVRHWTWSFO-HZPDHXFCSA-N 1 2 421.494 0.675 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000556217461 1078531202 /nfs/dbraw/zinc/53/12/02/1078531202.db2.gz SWXAJVRHWTWSFO-JKSUJKDBSA-N 1 2 421.494 0.675 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000556217461 1078531190 /nfs/dbraw/zinc/53/11/90/1078531190.db2.gz SWXAJVRHWTWSFO-JKSUJKDBSA-N 1 2 421.494 0.675 20 0 HCADLO C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1N1CCOCC1 ZINC000556220283 1078541921 /nfs/dbraw/zinc/54/19/21/1078541921.db2.gz CMEPMWFUUJRWME-FXAWDEMLSA-N 1 2 411.506 0.727 20 0 HCADLO C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1N1CCOCC1 ZINC000556220284 1078541852 /nfs/dbraw/zinc/54/18/52/1078541852.db2.gz CMEPMWFUUJRWME-PXNSSMCTSA-N 1 2 411.506 0.727 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1N1CCOCC1 ZINC000556220285 1078541684 /nfs/dbraw/zinc/54/16/84/1078541684.db2.gz CMEPMWFUUJRWME-XLIONFOSSA-N 1 2 411.506 0.727 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1N1CCOCC1 ZINC000556220286 1078541762 /nfs/dbraw/zinc/54/17/62/1078541762.db2.gz CMEPMWFUUJRWME-YLJYHZDGSA-N 1 2 411.506 0.727 20 0 HCADLO Cn1ccnc1[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCN1C ZINC000556221018 1078541550 /nfs/dbraw/zinc/54/15/50/1078541550.db2.gz GJJIYYZNCHVLEB-IBGZPJMESA-N 1 2 421.505 0.796 20 0 HCADLO Cn1ccnc1[C@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCN1C ZINC000556221019 1078541247 /nfs/dbraw/zinc/54/12/47/1078541247.db2.gz GJJIYYZNCHVLEB-LJQANCHMSA-N 1 2 421.505 0.796 20 0 HCADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000556222741 1078537330 /nfs/dbraw/zinc/53/73/30/1078537330.db2.gz KXBYNHBPXZMDBT-UHFFFAOYSA-N 1 2 407.478 0.615 20 0 HCADLO Cn1ccnc1CN1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000556223003 1078537456 /nfs/dbraw/zinc/53/74/56/1078537456.db2.gz OQBJGPBWFFEZNA-UHFFFAOYSA-N 1 2 421.505 0.626 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000556223374 1078537746 /nfs/dbraw/zinc/53/77/46/1078537746.db2.gz MSYUAMAXLLIQJV-KRWDZBQOSA-N 1 2 418.519 0.578 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000556223386 1078538053 /nfs/dbraw/zinc/53/80/53/1078538053.db2.gz MSYUAMAXLLIQJV-QGZVFWFLSA-N 1 2 418.519 0.578 20 0 HCADLO CCN(CCCNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000556224051 1078537424 /nfs/dbraw/zinc/53/74/24/1078537424.db2.gz QAJFBRZYQIUQNN-UHFFFAOYSA-N 1 2 421.523 0.335 20 0 HCADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000556224461 1078538993 /nfs/dbraw/zinc/53/89/93/1078538993.db2.gz VZSPHJKGNQFFQX-UHFFFAOYSA-N 1 2 419.507 0.042 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000556225144 1078538486 /nfs/dbraw/zinc/53/84/86/1078538486.db2.gz XNAVWYSUKHYFDD-HNNXBMFYSA-N 1 2 415.494 0.708 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000556225144 1078538482 /nfs/dbraw/zinc/53/84/82/1078538482.db2.gz XNAVWYSUKHYFDD-HNNXBMFYSA-N 1 2 415.494 0.708 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000556225147 1078538398 /nfs/dbraw/zinc/53/83/98/1078538398.db2.gz XNAVWYSUKHYFDD-OAHLLOKOSA-N 1 2 415.494 0.708 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000556225147 1078538391 /nfs/dbraw/zinc/53/83/91/1078538391.db2.gz XNAVWYSUKHYFDD-OAHLLOKOSA-N 1 2 415.494 0.708 20 0 HCADLO CC[C@@H](NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CCOCC1 ZINC000556225258 1078539015 /nfs/dbraw/zinc/53/90/15/1078539015.db2.gz ZZPBOAGLNGFIPJ-GOSISDBHSA-N 1 2 413.478 0.301 20 0 HCADLO CC[C@H](NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CCOCC1 ZINC000556225262 1078539088 /nfs/dbraw/zinc/53/90/88/1078539088.db2.gz ZZPBOAGLNGFIPJ-SFHVURJKSA-N 1 2 413.478 0.301 20 0 HCADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000556229668 1078540906 /nfs/dbraw/zinc/54/09/06/1078540906.db2.gz MDNUFORIENHFBN-UHFFFAOYSA-N 1 2 409.368 0.738 20 0 HCADLO Cc1nc(N2CCN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CC2)cc[nH+]1 ZINC000556230207 1078549783 /nfs/dbraw/zinc/54/97/83/1078549783.db2.gz PQEHOJAXGNOQRZ-UHFFFAOYSA-N 1 2 422.489 0.877 20 0 HCADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000556231404 1078542965 /nfs/dbraw/zinc/54/29/65/1078542965.db2.gz VVVDIQPWQLCRBB-UHFFFAOYSA-N 1 2 405.462 0.686 20 0 HCADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000556231684 1078550688 /nfs/dbraw/zinc/55/06/88/1078550688.db2.gz WRWAUCLXNOIXAS-KRWDZBQOSA-N 1 2 419.507 0.088 20 0 HCADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000556231691 1078550802 /nfs/dbraw/zinc/55/08/02/1078550802.db2.gz WRWAUCLXNOIXAS-QGZVFWFLSA-N 1 2 419.507 0.088 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000556240974 1078549705 /nfs/dbraw/zinc/54/97/05/1078549705.db2.gz LYFGYCQYWRPUED-KRWDZBQOSA-N 1 2 411.510 0.685 20 0 HCADLO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000556240976 1078549839 /nfs/dbraw/zinc/54/98/39/1078549839.db2.gz LYFGYCQYWRPUED-QGZVFWFLSA-N 1 2 411.510 0.685 20 0 HCADLO CC[C@@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@]2(CCOC2)O1 ZINC000556242714 1078551774 /nfs/dbraw/zinc/55/17/74/1078551774.db2.gz SCDYKWQCXUKXPZ-DYESRHJHSA-N 1 2 402.495 0.963 20 0 HCADLO CC[C@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@]2(CCOC2)O1 ZINC000556242716 1078551910 /nfs/dbraw/zinc/55/19/10/1078551910.db2.gz SCDYKWQCXUKXPZ-LAUBAEHRSA-N 1 2 402.495 0.963 20 0 HCADLO CC[C@@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@]2(CCOC2)O1 ZINC000556242718 1078551951 /nfs/dbraw/zinc/55/19/51/1078551951.db2.gz SCDYKWQCXUKXPZ-UTKZUKDTSA-N 1 2 402.495 0.963 20 0 HCADLO CC[C@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@]2(CCOC2)O1 ZINC000556242720 1078551933 /nfs/dbraw/zinc/55/19/33/1078551933.db2.gz SCDYKWQCXUKXPZ-UWJYYQICSA-N 1 2 402.495 0.963 20 0 HCADLO CCN1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1c1ncc[nH]1 ZINC000556243306 1078553024 /nfs/dbraw/zinc/55/30/24/1078553024.db2.gz ZSJRNCPXIUOQKT-KRWDZBQOSA-N 1 2 411.510 0.795 20 0 HCADLO CCN1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1c1ncc[nH]1 ZINC000556243308 1078553062 /nfs/dbraw/zinc/55/30/62/1078553062.db2.gz ZSJRNCPXIUOQKT-QGZVFWFLSA-N 1 2 411.510 0.795 20 0 HCADLO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556243738 1078552404 /nfs/dbraw/zinc/55/24/04/1078552404.db2.gz KKQALPJLNNUSCX-UHFFFAOYSA-N 1 2 424.505 0.715 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000556243783 1078552326 /nfs/dbraw/zinc/55/23/26/1078552326.db2.gz MISKASMOORWRJH-HNNXBMFYSA-N 1 2 409.512 0.026 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000556243784 1078552380 /nfs/dbraw/zinc/55/23/80/1078552380.db2.gz MISKASMOORWRJH-OAHLLOKOSA-N 1 2 409.512 0.026 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000556244483 1078553525 /nfs/dbraw/zinc/55/35/25/1078553525.db2.gz AWPOXLZKCJKFBT-UHFFFAOYSA-N 1 2 423.481 0.811 20 0 HCADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000556245034 1078553041 /nfs/dbraw/zinc/55/30/41/1078553041.db2.gz DCGMFSXDRKXLGB-AWEZNQCLSA-N 1 2 419.507 0.785 20 0 HCADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000556245035 1078553175 /nfs/dbraw/zinc/55/31/75/1078553175.db2.gz DCGMFSXDRKXLGB-CQSZACIVSA-N 1 2 419.507 0.785 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000556245853 1078554131 /nfs/dbraw/zinc/55/41/31/1078554131.db2.gz KAUDSVCGTCZHNG-UHFFFAOYSA-N 1 2 421.452 0.936 20 0 HCADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000556245913 1078554475 /nfs/dbraw/zinc/55/44/75/1078554475.db2.gz LTHLTWOGHXBLGN-UHFFFAOYSA-N 1 2 408.506 0.906 20 0 HCADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000556247393 1078556014 /nfs/dbraw/zinc/55/60/14/1078556014.db2.gz VPISEVHBOQNCRF-UHFFFAOYSA-N 1 2 409.494 0.696 20 0 HCADLO Cc1c(NC(=O)C(=O)NCc2c[nH+]cn2C)nnn1CCOc1ccc(F)cc1 ZINC000556251681 1078557858 /nfs/dbraw/zinc/55/78/58/1078557858.db2.gz FKOSLXPRHWHTNK-UHFFFAOYSA-N 1 2 401.402 0.793 20 0 HCADLO O=C(CC1CCCC1)NCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556251919 1078557916 /nfs/dbraw/zinc/55/79/16/1078557916.db2.gz DNCNURWHJPVFLS-UHFFFAOYSA-N 1 2 401.511 0.979 20 0 HCADLO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000556252877 1078565273 /nfs/dbraw/zinc/56/52/73/1078565273.db2.gz KTEGOYNPCGBMNG-UHFFFAOYSA-N 1 2 417.510 0.262 20 0 HCADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000556254018 1078559478 /nfs/dbraw/zinc/55/94/78/1078559478.db2.gz TYFOOIGIUMKCCD-INIZCTEOSA-N 1 2 404.515 0.059 20 0 HCADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000556254021 1078559293 /nfs/dbraw/zinc/55/92/93/1078559293.db2.gz TYFOOIGIUMKCCD-MRXNPFEDSA-N 1 2 404.515 0.059 20 0 HCADLO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000556258723 1078561798 /nfs/dbraw/zinc/56/17/98/1078561798.db2.gz FLWKSPLEXFOCTC-UHFFFAOYSA-N 1 2 407.492 0.760 20 0 HCADLO CN(CCCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)CC(F)(F)F ZINC000556263698 1078565878 /nfs/dbraw/zinc/56/58/78/1078565878.db2.gz NBGBKHFXQWXMEY-HNNXBMFYSA-N 1 2 408.465 0.700 20 0 HCADLO CN(CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)CC(F)(F)F ZINC000556263700 1078566062 /nfs/dbraw/zinc/56/60/62/1078566062.db2.gz NBGBKHFXQWXMEY-OAHLLOKOSA-N 1 2 408.465 0.700 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000556268325 1078569924 /nfs/dbraw/zinc/56/99/24/1078569924.db2.gz XRYLTZNZYOESPG-UHFFFAOYSA-N 1 2 416.569 0.010 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000556268325 1078569921 /nfs/dbraw/zinc/56/99/21/1078569921.db2.gz XRYLTZNZYOESPG-UHFFFAOYSA-N 1 2 416.569 0.010 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000556268679 1078569899 /nfs/dbraw/zinc/56/98/99/1078569899.db2.gz FXRCJGASGVXEPO-UHFFFAOYSA-N 1 2 407.496 0.276 20 0 HCADLO Cc1[nH]ncc1CNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000556268918 1078569397 /nfs/dbraw/zinc/56/93/97/1078569397.db2.gz KOPMVQAFAWOZBS-UHFFFAOYSA-N 1 2 406.531 0.277 20 0 HCADLO Cc1n[nH]cc1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000556269391 1078570998 /nfs/dbraw/zinc/57/09/98/1078570998.db2.gz MYMKNEDSTYEXOM-UHFFFAOYSA-N 1 2 401.467 0.362 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000556271891 1078572196 /nfs/dbraw/zinc/57/21/96/1078572196.db2.gz BAIZQNSMHGJIOS-HNNXBMFYSA-N 1 2 400.458 0.807 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000556271893 1078572505 /nfs/dbraw/zinc/57/25/05/1078572505.db2.gz BAIZQNSMHGJIOS-OAHLLOKOSA-N 1 2 400.458 0.807 20 0 HCADLO Cc1nsc(N2CCCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)n1 ZINC000556272255 1078572958 /nfs/dbraw/zinc/57/29/58/1078572958.db2.gz AYEYPZGBGFWNFQ-UHFFFAOYSA-N 1 2 417.539 0.777 20 0 HCADLO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cn1 ZINC000556272606 1078572971 /nfs/dbraw/zinc/57/29/71/1078572971.db2.gz GTNYZRVKJYLORG-INIZCTEOSA-N 1 2 402.524 0.928 20 0 HCADLO Cn1cc([C@H]2CSCCN2C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cn1 ZINC000556272608 1078573007 /nfs/dbraw/zinc/57/30/07/1078573007.db2.gz GTNYZRVKJYLORG-MRXNPFEDSA-N 1 2 402.524 0.928 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000556272872 1078572898 /nfs/dbraw/zinc/57/28/98/1078572898.db2.gz HNVIMUYYILKMSF-GOSISDBHSA-N 1 2 409.490 0.968 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000556272873 1078572988 /nfs/dbraw/zinc/57/29/88/1078572988.db2.gz HNVIMUYYILKMSF-SFHVURJKSA-N 1 2 409.490 0.968 20 0 HCADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556272968 1078572949 /nfs/dbraw/zinc/57/29/49/1078572949.db2.gz JKGJEWVJIXCZMH-UHFFFAOYSA-N 1 2 412.494 0.090 20 0 HCADLO CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556273194 1078572981 /nfs/dbraw/zinc/57/29/81/1078572981.db2.gz LFNRAVSERGMYRF-IBGZPJMESA-N 1 2 414.506 0.914 20 0 HCADLO CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556273195 1078572883 /nfs/dbraw/zinc/57/28/83/1078572883.db2.gz LFNRAVSERGMYRF-LJQANCHMSA-N 1 2 414.506 0.914 20 0 HCADLO CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000556274664 1078576163 /nfs/dbraw/zinc/57/61/63/1078576163.db2.gz ZTWHULITBDXRSS-NRFANRHFSA-N 1 2 420.510 0.696 20 0 HCADLO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000556274665 1078576239 /nfs/dbraw/zinc/57/62/39/1078576239.db2.gz ZTWHULITBDXRSS-OAQYLSRUSA-N 1 2 420.510 0.696 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000556277189 1078576730 /nfs/dbraw/zinc/57/67/30/1078576730.db2.gz WBYQEJGMBCYVOB-AWEZNQCLSA-N 1 2 423.447 0.245 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000556277189 1078576722 /nfs/dbraw/zinc/57/67/22/1078576722.db2.gz WBYQEJGMBCYVOB-AWEZNQCLSA-N 1 2 423.447 0.245 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000556280553 1078573865 /nfs/dbraw/zinc/57/38/65/1078573865.db2.gz DEKUQRYNCUWOJZ-INIZCTEOSA-N 1 2 413.453 0.939 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000556280554 1078573918 /nfs/dbraw/zinc/57/39/18/1078573918.db2.gz DEKUQRYNCUWOJZ-MRXNPFEDSA-N 1 2 413.453 0.939 20 0 HCADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000556280632 1078574009 /nfs/dbraw/zinc/57/40/09/1078574009.db2.gz FRHYJUPUNXUSMI-DOTOQJQBSA-N 1 2 407.511 0.869 20 0 HCADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000556280633 1078573962 /nfs/dbraw/zinc/57/39/62/1078573962.db2.gz FRHYJUPUNXUSMI-NVXWUHKLSA-N 1 2 407.511 0.869 20 0 HCADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000556280720 1078573877 /nfs/dbraw/zinc/57/38/77/1078573877.db2.gz FRHYJUPUNXUSMI-RDJZCZTQSA-N 1 2 407.511 0.869 20 0 HCADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000556280721 1078574090 /nfs/dbraw/zinc/57/40/90/1078574090.db2.gz FRHYJUPUNXUSMI-WBVHZDCISA-N 1 2 407.511 0.869 20 0 HCADLO Cc1csc(N2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)n1 ZINC000556281381 1078574542 /nfs/dbraw/zinc/57/45/42/1078574542.db2.gz OIJLWXGISSASMX-UHFFFAOYSA-N 1 2 402.524 0.992 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000556281446 1078574500 /nfs/dbraw/zinc/57/45/00/1078574500.db2.gz MRVGFYYWVXSCHY-UHFFFAOYSA-N 1 2 415.519 0.924 20 0 HCADLO COC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)[nH]1 ZINC000556281822 1078573904 /nfs/dbraw/zinc/57/39/04/1078573904.db2.gz VENJAPZVQWMHQK-UHFFFAOYSA-N 1 2 400.439 0.390 20 0 HCADLO COC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)[nH]1 ZINC000556281822 1078573903 /nfs/dbraw/zinc/57/39/03/1078573903.db2.gz VENJAPZVQWMHQK-UHFFFAOYSA-N 1 2 400.439 0.390 20 0 HCADLO COc1ccnc(N2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)n1 ZINC000556281935 1078573843 /nfs/dbraw/zinc/57/38/43/1078573843.db2.gz VRXLKHAVKRJPHH-UHFFFAOYSA-N 1 2 413.482 0.026 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000556308363 1078596578 /nfs/dbraw/zinc/59/65/78/1078596578.db2.gz GWAVMVHNVUAQHW-FGTMMUONSA-N 1 2 418.542 0.227 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000556308367 1078596533 /nfs/dbraw/zinc/59/65/33/1078596533.db2.gz GWAVMVHNVUAQHW-KURKYZTESA-N 1 2 418.542 0.227 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000556308372 1078596976 /nfs/dbraw/zinc/59/69/76/1078596976.db2.gz GWAVMVHNVUAQHW-KZNAEPCWSA-N 1 2 418.542 0.227 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000556308374 1078597032 /nfs/dbraw/zinc/59/70/32/1078597032.db2.gz GWAVMVHNVUAQHW-SQNIBIBYSA-N 1 2 418.542 0.227 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000556308599 1078596400 /nfs/dbraw/zinc/59/64/00/1078596400.db2.gz LGVRWNUJRSDSNY-NEWSRXKRSA-N 1 2 424.505 0.103 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000556308602 1078596603 /nfs/dbraw/zinc/59/66/03/1078596603.db2.gz LGVRWNUJRSDSNY-NZSAHSFTSA-N 1 2 424.505 0.103 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000556308603 1078596430 /nfs/dbraw/zinc/59/64/30/1078596430.db2.gz LGVRWNUJRSDSNY-WDSOQIARSA-N 1 2 424.505 0.103 20 0 HCADLO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000556308654 1078596556 /nfs/dbraw/zinc/59/65/56/1078596556.db2.gz ALFMVOFTYPOHDZ-OAHLLOKOSA-N 1 2 421.523 0.532 20 0 HCADLO COc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)cc(OC)c1 ZINC000556308883 1078595947 /nfs/dbraw/zinc/59/59/47/1078595947.db2.gz FZRYVKRSVAWEKE-INIZCTEOSA-N 1 2 415.494 0.749 20 0 HCADLO COc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)cc(OC)c1 ZINC000556308889 1078596493 /nfs/dbraw/zinc/59/64/93/1078596493.db2.gz FZRYVKRSVAWEKE-MRXNPFEDSA-N 1 2 415.494 0.749 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000556309839 1078597398 /nfs/dbraw/zinc/59/73/98/1078597398.db2.gz MFZYWGDFYCUGTR-HNNXBMFYSA-N 1 2 422.493 0.258 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000556309841 1078597761 /nfs/dbraw/zinc/59/77/61/1078597761.db2.gz MFZYWGDFYCUGTR-OAHLLOKOSA-N 1 2 422.493 0.258 20 0 HCADLO COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)N2CCOCC2)cc1 ZINC000556309994 1078597109 /nfs/dbraw/zinc/59/71/09/1078597109.db2.gz RIZKPFAUDPICSP-APWZRJJASA-N 1 2 415.494 0.586 20 0 HCADLO COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)N2CCOCC2)cc1 ZINC000556310004 1078597421 /nfs/dbraw/zinc/59/74/21/1078597421.db2.gz RIZKPFAUDPICSP-QFBILLFUSA-N 1 2 415.494 0.586 20 0 HCADLO COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)N2CCOCC2)cc1 ZINC000556310005 1078597711 /nfs/dbraw/zinc/59/77/11/1078597711.db2.gz RIZKPFAUDPICSP-VQIMIIECSA-N 1 2 415.494 0.586 20 0 HCADLO COc1cccc(OCCN2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000556310154 1078597078 /nfs/dbraw/zinc/59/70/78/1078597078.db2.gz ZHBAEOOZDMAHRV-KRWDZBQOSA-N 1 2 415.494 0.620 20 0 HCADLO COc1cccc(OCCN2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000556310158 1078597008 /nfs/dbraw/zinc/59/70/08/1078597008.db2.gz ZHBAEOOZDMAHRV-QGZVFWFLSA-N 1 2 415.494 0.620 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000556310432 1078599665 /nfs/dbraw/zinc/59/96/65/1078599665.db2.gz NSQWHZWOZDKGTP-INIZCTEOSA-N 1 2 413.478 0.503 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000556310439 1078599574 /nfs/dbraw/zinc/59/95/74/1078599574.db2.gz NSQWHZWOZDKGTP-MRXNPFEDSA-N 1 2 413.478 0.503 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000556310896 1078598863 /nfs/dbraw/zinc/59/88/63/1078598863.db2.gz AKXOUVNNISTIQZ-HNNXBMFYSA-N 1 2 401.442 0.440 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000556310900 1078599003 /nfs/dbraw/zinc/59/90/03/1078599003.db2.gz AKXOUVNNISTIQZ-OAHLLOKOSA-N 1 2 401.442 0.440 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000556310935 1078598956 /nfs/dbraw/zinc/59/89/56/1078598956.db2.gz BDZYLEQEKDVSMS-CRAIPNDOSA-N 1 2 403.458 0.717 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000556310936 1078599070 /nfs/dbraw/zinc/59/90/70/1078599070.db2.gz BDZYLEQEKDVSMS-MAUKXSAKSA-N 1 2 403.458 0.717 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000556310938 1078599028 /nfs/dbraw/zinc/59/90/28/1078599028.db2.gz BDZYLEQEKDVSMS-QAPCUYQASA-N 1 2 403.458 0.717 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000556310939 1078598777 /nfs/dbraw/zinc/59/87/77/1078598777.db2.gz BDZYLEQEKDVSMS-YJBOKZPZSA-N 1 2 403.458 0.717 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000556311071 1078598176 /nfs/dbraw/zinc/59/81/76/1078598176.db2.gz DILFTJRQWZAPLD-BBRMVZONSA-N 1 2 411.441 0.917 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000556311074 1078598367 /nfs/dbraw/zinc/59/83/67/1078598367.db2.gz DILFTJRQWZAPLD-CJNGLKHVSA-N 1 2 411.441 0.917 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000556311076 1078598903 /nfs/dbraw/zinc/59/89/03/1078598903.db2.gz DILFTJRQWZAPLD-CZUORRHYSA-N 1 2 411.441 0.917 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000556311080 1078599132 /nfs/dbraw/zinc/59/91/32/1078599132.db2.gz DILFTJRQWZAPLD-XJKSGUPXSA-N 1 2 411.441 0.917 20 0 HCADLO COc1ccc(CN2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)cc1F ZINC000556311169 1078598286 /nfs/dbraw/zinc/59/82/86/1078598286.db2.gz FHKXNQUNDLEUMM-HNNXBMFYSA-N 1 2 403.458 0.880 20 0 HCADLO COc1ccc(CN2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)cc1F ZINC000556311170 1078598302 /nfs/dbraw/zinc/59/83/02/1078598302.db2.gz FHKXNQUNDLEUMM-OAHLLOKOSA-N 1 2 403.458 0.880 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000556311747 1078600366 /nfs/dbraw/zinc/60/03/66/1078600366.db2.gz ZUVYVHCUJJPFAR-HNNXBMFYSA-N 1 2 416.457 0.310 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000556311748 1078600246 /nfs/dbraw/zinc/60/02/46/1078600246.db2.gz ZUVYVHCUJJPFAR-OAHLLOKOSA-N 1 2 416.457 0.310 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000556311910 1078600338 /nfs/dbraw/zinc/60/03/38/1078600338.db2.gz NBNGSVYCQZMPRY-IBGZPJMESA-N 1 2 419.522 0.003 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000556311915 1078600283 /nfs/dbraw/zinc/60/02/83/1078600283.db2.gz NBNGSVYCQZMPRY-LJQANCHMSA-N 1 2 419.522 0.003 20 0 HCADLO CCOc1cc(NC2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)ncn1 ZINC000556312373 1078609354 /nfs/dbraw/zinc/60/93/54/1078609354.db2.gz QQSXQATWRVLUIL-AWEZNQCLSA-N 1 2 401.471 0.680 20 0 HCADLO CCOc1cc(NC2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)ncn1 ZINC000556312377 1078609578 /nfs/dbraw/zinc/60/95/78/1078609578.db2.gz QQSXQATWRVLUIL-CQSZACIVSA-N 1 2 401.471 0.680 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)n1 ZINC000556312540 1078608779 /nfs/dbraw/zinc/60/87/79/1078608779.db2.gz UYXXQPYPTRQNFX-CABCVRRESA-N 1 2 419.486 0.213 20 0 HCADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)n1 ZINC000556312541 1078608492 /nfs/dbraw/zinc/60/84/92/1078608492.db2.gz UYXXQPYPTRQNFX-GJZGRUSLSA-N 1 2 419.486 0.213 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)n1 ZINC000556312542 1078608628 /nfs/dbraw/zinc/60/86/28/1078608628.db2.gz UYXXQPYPTRQNFX-HUUCEWRRSA-N 1 2 419.486 0.213 20 0 HCADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)n1 ZINC000556312544 1078609526 /nfs/dbraw/zinc/60/95/26/1078609526.db2.gz UYXXQPYPTRQNFX-LSDHHAIUSA-N 1 2 419.486 0.213 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000556312754 1078608911 /nfs/dbraw/zinc/60/89/11/1078608911.db2.gz ZKCDMWLKMGGUKY-AWEZNQCLSA-N 1 2 423.470 0.060 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000556312755 1078608710 /nfs/dbraw/zinc/60/87/10/1078608710.db2.gz ZKCDMWLKMGGUKY-CQSZACIVSA-N 1 2 423.470 0.060 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000556314160 1078610808 /nfs/dbraw/zinc/61/08/08/1078610808.db2.gz UAAVCHABOQQGTH-AWEZNQCLSA-N 1 2 401.442 0.948 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000556314166 1078610917 /nfs/dbraw/zinc/61/09/17/1078610917.db2.gz UAAVCHABOQQGTH-CQSZACIVSA-N 1 2 401.442 0.948 20 0 HCADLO CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000556317077 1078614748 /nfs/dbraw/zinc/61/47/48/1078614748.db2.gz WATOZBPPUZPXNZ-INIZCTEOSA-N 1 2 413.478 0.771 20 0 HCADLO CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000556317078 1078614709 /nfs/dbraw/zinc/61/47/09/1078614709.db2.gz WATOZBPPUZPXNZ-MRXNPFEDSA-N 1 2 413.478 0.771 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000556318904 1078617430 /nfs/dbraw/zinc/61/74/30/1078617430.db2.gz YBEIVAJGXJOVNA-HNNXBMFYSA-N 1 2 414.462 0.981 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000556318905 1078618081 /nfs/dbraw/zinc/61/80/81/1078618081.db2.gz YBEIVAJGXJOVNA-OAHLLOKOSA-N 1 2 414.462 0.981 20 0 HCADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000556351245 1078642516 /nfs/dbraw/zinc/64/25/16/1078642516.db2.gz JMRKGUKNJKAHKJ-UHFFFAOYSA-N 1 2 423.485 0.920 20 0 HCADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000556351245 1078642510 /nfs/dbraw/zinc/64/25/10/1078642510.db2.gz JMRKGUKNJKAHKJ-UHFFFAOYSA-N 1 2 423.485 0.920 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2CC1 ZINC000556361308 1078659054 /nfs/dbraw/zinc/65/90/54/1078659054.db2.gz GUAQBAXADKZLRQ-UHFFFAOYSA-N 1 2 409.552 0.711 20 0 HCADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556361319 1078660281 /nfs/dbraw/zinc/66/02/81/1078660281.db2.gz HBHOGOQLUJBVGY-INIZCTEOSA-N 1 2 404.515 0.131 20 0 HCADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556361319 1078660274 /nfs/dbraw/zinc/66/02/74/1078660274.db2.gz HBHOGOQLUJBVGY-INIZCTEOSA-N 1 2 404.515 0.131 20 0 HCADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556361321 1078660265 /nfs/dbraw/zinc/66/02/65/1078660265.db2.gz HBHOGOQLUJBVGY-MRXNPFEDSA-N 1 2 404.515 0.131 20 0 HCADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556361321 1078660260 /nfs/dbraw/zinc/66/02/60/1078660260.db2.gz HBHOGOQLUJBVGY-MRXNPFEDSA-N 1 2 404.515 0.131 20 0 HCADLO Cc1cc(CS(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)no1 ZINC000556361544 1078660318 /nfs/dbraw/zinc/66/03/18/1078660318.db2.gz NRUPQQSRIHOWNS-UHFFFAOYSA-N 1 2 408.484 0.262 20 0 HCADLO Cc1cc(CS(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)no1 ZINC000556361544 1078660314 /nfs/dbraw/zinc/66/03/14/1078660314.db2.gz NRUPQQSRIHOWNS-UHFFFAOYSA-N 1 2 408.484 0.262 20 0 HCADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1OC ZINC000556362462 1078661321 /nfs/dbraw/zinc/66/13/21/1078661321.db2.gz WGBQEPHEIRWEDX-GFCCVEGCSA-N 1 2 405.904 0.659 20 0 HCADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1OC ZINC000556362462 1078661318 /nfs/dbraw/zinc/66/13/18/1078661318.db2.gz WGBQEPHEIRWEDX-GFCCVEGCSA-N 1 2 405.904 0.659 20 0 HCADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1OC ZINC000556362467 1078661893 /nfs/dbraw/zinc/66/18/93/1078661893.db2.gz WGBQEPHEIRWEDX-LBPRGKRZSA-N 1 2 405.904 0.659 20 0 HCADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1OC ZINC000556362467 1078661888 /nfs/dbraw/zinc/66/18/88/1078661888.db2.gz WGBQEPHEIRWEDX-LBPRGKRZSA-N 1 2 405.904 0.659 20 0 HCADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1OC ZINC000556366667 1078657562 /nfs/dbraw/zinc/65/75/62/1078657562.db2.gz STIHWECVSIXFIN-UHFFFAOYSA-N 1 2 406.888 0.824 20 0 HCADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1OC ZINC000556366667 1078657559 /nfs/dbraw/zinc/65/75/59/1078657559.db2.gz STIHWECVSIXFIN-UHFFFAOYSA-N 1 2 406.888 0.824 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)cc2CC1 ZINC000556373665 1078683413 /nfs/dbraw/zinc/68/34/13/1078683413.db2.gz PYZQGMWKYVJXLZ-CVEARBPZSA-N 1 2 409.552 0.709 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)cc2CC1 ZINC000556373665 1078683405 /nfs/dbraw/zinc/68/34/05/1078683405.db2.gz PYZQGMWKYVJXLZ-CVEARBPZSA-N 1 2 409.552 0.709 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)cc2CC1 ZINC000556373666 1078683379 /nfs/dbraw/zinc/68/33/79/1078683379.db2.gz PYZQGMWKYVJXLZ-HOTGVXAUSA-N 1 2 409.552 0.709 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)cc2CC1 ZINC000556373666 1078683375 /nfs/dbraw/zinc/68/33/75/1078683375.db2.gz PYZQGMWKYVJXLZ-HOTGVXAUSA-N 1 2 409.552 0.709 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)cc2CC1 ZINC000556373667 1078683555 /nfs/dbraw/zinc/68/35/55/1078683555.db2.gz PYZQGMWKYVJXLZ-HZPDHXFCSA-N 1 2 409.552 0.709 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)cc2CC1 ZINC000556373667 1078683551 /nfs/dbraw/zinc/68/35/51/1078683551.db2.gz PYZQGMWKYVJXLZ-HZPDHXFCSA-N 1 2 409.552 0.709 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)cc2CC1 ZINC000556373668 1078683519 /nfs/dbraw/zinc/68/35/19/1078683519.db2.gz PYZQGMWKYVJXLZ-JKSUJKDBSA-N 1 2 409.552 0.709 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)cc2CC1 ZINC000556373668 1078683507 /nfs/dbraw/zinc/68/35/07/1078683507.db2.gz PYZQGMWKYVJXLZ-JKSUJKDBSA-N 1 2 409.552 0.709 20 0 HCADLO Cn1ncc(I)c1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000556374181 1078681414 /nfs/dbraw/zinc/68/14/14/1078681414.db2.gz YYBCGHHWFFYIHR-LLVKDONJSA-N 1 2 404.252 0.962 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)cc2CC1 ZINC000556375730 1078686837 /nfs/dbraw/zinc/68/68/37/1078686837.db2.gz UBVVRORBUVEGRF-KRWDZBQOSA-N 1 2 422.595 0.796 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)cc2CC1 ZINC000556375740 1078686904 /nfs/dbraw/zinc/68/69/04/1078686904.db2.gz UBVVRORBUVEGRF-QGZVFWFLSA-N 1 2 422.595 0.796 20 0 HCADLO C[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H]1Cc1ccccc1 ZINC000556395151 1078705879 /nfs/dbraw/zinc/70/58/79/1078705879.db2.gz HQBLOGGLOOOSRU-INIZCTEOSA-N 1 2 409.533 0.881 20 0 HCADLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H]1Cc1ccccc1 ZINC000556395151 1078705873 /nfs/dbraw/zinc/70/58/73/1078705873.db2.gz HQBLOGGLOOOSRU-INIZCTEOSA-N 1 2 409.533 0.881 20 0 HCADLO C[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H]1Cc1ccccc1 ZINC000556395152 1078705933 /nfs/dbraw/zinc/70/59/33/1078705933.db2.gz HQBLOGGLOOOSRU-MRXNPFEDSA-N 1 2 409.533 0.881 20 0 HCADLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H]1Cc1ccccc1 ZINC000556395152 1078705928 /nfs/dbraw/zinc/70/59/28/1078705928.db2.gz HQBLOGGLOOOSRU-MRXNPFEDSA-N 1 2 409.533 0.881 20 0 HCADLO CCOC1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000556400758 1078710702 /nfs/dbraw/zinc/71/07/02/1078710702.db2.gz VRAJDHLPNNZUAT-UHFFFAOYSA-N 1 2 410.540 0.999 20 0 HCADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000556401305 1078710673 /nfs/dbraw/zinc/71/06/73/1078710673.db2.gz XOBVREKCMBYCHG-MRXNPFEDSA-N 1 2 404.492 1.115 20 0 HCADLO Cc1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n(C)n1 ZINC000556443543 1078738468 /nfs/dbraw/zinc/73/84/68/1078738468.db2.gz LNSRJNWXXSCRPO-UHFFFAOYSA-N 1 2 400.487 0.387 20 0 HCADLO Cc1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n(C)n1 ZINC000556443543 1078738459 /nfs/dbraw/zinc/73/84/59/1078738459.db2.gz LNSRJNWXXSCRPO-UHFFFAOYSA-N 1 2 400.487 0.387 20 0 HCADLO COC(=O)c1cn(CCNC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)nn1 ZINC000556444422 1078738901 /nfs/dbraw/zinc/73/89/01/1078738901.db2.gz SBSBJGWKPQVRNF-UHFFFAOYSA-N 1 2 416.486 0.818 20 0 HCADLO O=C(NCCC1(O)CCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000556454073 1078748185 /nfs/dbraw/zinc/74/81/85/1078748185.db2.gz ONYMGOKPCNWPOV-INIZCTEOSA-N 1 2 404.515 0.886 20 0 HCADLO O=C(NCCC1(O)CCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000556454073 1078748176 /nfs/dbraw/zinc/74/81/76/1078748176.db2.gz ONYMGOKPCNWPOV-INIZCTEOSA-N 1 2 404.515 0.886 20 0 HCADLO O=C(NCCC1(O)CCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000556454075 1078748260 /nfs/dbraw/zinc/74/82/60/1078748260.db2.gz ONYMGOKPCNWPOV-MRXNPFEDSA-N 1 2 404.515 0.886 20 0 HCADLO O=C(NCCC1(O)CCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000556454075 1078748257 /nfs/dbraw/zinc/74/82/57/1078748257.db2.gz ONYMGOKPCNWPOV-MRXNPFEDSA-N 1 2 404.515 0.886 20 0 HCADLO Cc1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc(C)n1 ZINC000556457636 1078756828 /nfs/dbraw/zinc/75/68/28/1078756828.db2.gz FQCKKJRYSILLSK-UHFFFAOYSA-N 1 2 412.498 0.752 20 0 HCADLO Cc1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc(C)n1 ZINC000556457636 1078756815 /nfs/dbraw/zinc/75/68/15/1078756815.db2.gz FQCKKJRYSILLSK-UHFFFAOYSA-N 1 2 412.498 0.752 20 0 HCADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)Cc2ccccc2O1 ZINC000556501855 1078790517 /nfs/dbraw/zinc/79/05/17/1078790517.db2.gz ZGFLBLUDDNPIDF-INIZCTEOSA-N 1 2 413.478 0.964 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)Cc2ccccc2O1 ZINC000556501858 1078790418 /nfs/dbraw/zinc/79/04/18/1078790418.db2.gz ZGFLBLUDDNPIDF-MRXNPFEDSA-N 1 2 413.478 0.964 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](O)C[C@@H]3C)cc2)CC1 ZINC000556502279 1078780771 /nfs/dbraw/zinc/78/07/71/1078780771.db2.gz UAQGTENAAZEDFY-KXBFYZLASA-N 1 2 402.495 0.661 20 0 HCADLO O=C1CNC(=O)N1CCCN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000556503508 1078791111 /nfs/dbraw/zinc/79/11/11/1078791111.db2.gz MMTIEDLTCFOUTR-IBGZPJMESA-N 1 2 413.522 0.737 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)nn2)CC1 ZINC000556506855 1078787147 /nfs/dbraw/zinc/78/71/47/1078787147.db2.gz WNEYSMHGHCMIBV-UHFFFAOYSA-N 1 2 420.514 0.605 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)nn2)CC1 ZINC000556506855 1078787136 /nfs/dbraw/zinc/78/71/36/1078787136.db2.gz WNEYSMHGHCMIBV-UHFFFAOYSA-N 1 2 420.514 0.605 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556533241 1078811541 /nfs/dbraw/zinc/81/15/41/1078811541.db2.gz GPWSAKPWLIIPHQ-GFCCVEGCSA-N 1 2 421.448 0.728 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556533241 1078811538 /nfs/dbraw/zinc/81/15/38/1078811538.db2.gz GPWSAKPWLIIPHQ-GFCCVEGCSA-N 1 2 421.448 0.728 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556533242 1078811568 /nfs/dbraw/zinc/81/15/68/1078811568.db2.gz GPWSAKPWLIIPHQ-LBPRGKRZSA-N 1 2 421.448 0.728 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556533242 1078811566 /nfs/dbraw/zinc/81/15/66/1078811566.db2.gz GPWSAKPWLIIPHQ-LBPRGKRZSA-N 1 2 421.448 0.728 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)N[C@@H]3C3CC3)c2)CC1 ZINC000556533825 1078812274 /nfs/dbraw/zinc/81/22/74/1078812274.db2.gz MTABDJOZJFEZOT-AZUAARDMSA-N 1 2 413.522 0.546 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)N[C@H]3C3CC3)c2)CC1 ZINC000556533826 1078812300 /nfs/dbraw/zinc/81/23/00/1078812300.db2.gz MTABDJOZJFEZOT-ICSRJNTNSA-N 1 2 413.522 0.546 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC3)c2)CC1 ZINC000556533827 1078812345 /nfs/dbraw/zinc/81/23/45/1078812345.db2.gz MTABDJOZJFEZOT-QUCCMNQESA-N 1 2 413.522 0.546 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)c2)CC1 ZINC000556533828 1078812259 /nfs/dbraw/zinc/81/22/59/1078812259.db2.gz MTABDJOZJFEZOT-UYAOXDASSA-N 1 2 413.522 0.546 20 0 HCADLO Cc1n[nH]cc1C1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000556535400 1078812654 /nfs/dbraw/zinc/81/26/54/1078812654.db2.gz ZWFAXGLCOHXNOL-UHFFFAOYSA-N 1 2 415.498 0.592 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCc3cc(C)nn3C)cc2)CC1 ZINC000556543081 1078825182 /nfs/dbraw/zinc/82/51/82/1078825182.db2.gz RDOJNHBRNUYCHS-UHFFFAOYSA-N 1 2 412.494 0.648 20 0 HCADLO CCNC(=O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000556551134 1078827493 /nfs/dbraw/zinc/82/74/93/1078827493.db2.gz PJYNRNSTQRQPPA-KRWDZBQOSA-N 1 2 420.514 0.061 20 0 HCADLO CCNC(=O)C[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000556551135 1078827773 /nfs/dbraw/zinc/82/77/73/1078827773.db2.gz PJYNRNSTQRQPPA-QGZVFWFLSA-N 1 2 420.514 0.061 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCC3(O)CCC3)cc2)CC1 ZINC000556553940 1078831790 /nfs/dbraw/zinc/83/17/90/1078831790.db2.gz SGHSQPFJSVGKRI-UHFFFAOYSA-N 1 2 402.495 0.711 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)[C@H](C)C1 ZINC000556554065 1078831413 /nfs/dbraw/zinc/83/14/13/1078831413.db2.gz BYVPUQBJVHULPT-GFCCVEGCSA-N 1 2 420.441 0.146 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)[C@H](C)C1 ZINC000556554065 1078831410 /nfs/dbraw/zinc/83/14/10/1078831410.db2.gz BYVPUQBJVHULPT-GFCCVEGCSA-N 1 2 420.441 0.146 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)[C@@H](C)C1 ZINC000556554070 1078831343 /nfs/dbraw/zinc/83/13/43/1078831343.db2.gz BYVPUQBJVHULPT-LBPRGKRZSA-N 1 2 420.441 0.146 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)[C@@H](C)C1 ZINC000556554070 1078831341 /nfs/dbraw/zinc/83/13/41/1078831341.db2.gz BYVPUQBJVHULPT-LBPRGKRZSA-N 1 2 420.441 0.146 20 0 HCADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)cc[nH+]1 ZINC000556560711 1078836314 /nfs/dbraw/zinc/83/63/14/1078836314.db2.gz KTYNYBWUNCMXNR-UHFFFAOYSA-N 1 2 412.425 0.497 20 0 HCADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000556574747 1078843541 /nfs/dbraw/zinc/84/35/41/1078843541.db2.gz ZEMDLHUQLGIADO-LJQANCHMSA-N 1 2 411.506 1.560 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000556578640 1078844625 /nfs/dbraw/zinc/84/46/25/1078844625.db2.gz UEZHQKBYRYNGKO-UHFFFAOYSA-N 1 2 411.524 0.028 20 0 HCADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)NC[C@H]1COCCO1 ZINC000556580654 1078848130 /nfs/dbraw/zinc/84/81/30/1078848130.db2.gz LGMOILHCEMZSOT-KRWDZBQOSA-N 1 2 410.902 0.110 20 0 HCADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)NC[C@@H]1COCCO1 ZINC000556580655 1078848080 /nfs/dbraw/zinc/84/80/80/1078848080.db2.gz LGMOILHCEMZSOT-QGZVFWFLSA-N 1 2 410.902 0.110 20 0 HCADLO CN(C[C@@H](O)Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000556604262 1078856296 /nfs/dbraw/zinc/85/62/96/1078856296.db2.gz CTPCLCKHJAYQER-IBGZPJMESA-N 1 2 415.494 0.216 20 0 HCADLO CN(C[C@H](O)Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000556604263 1078856553 /nfs/dbraw/zinc/85/65/53/1078856553.db2.gz CTPCLCKHJAYQER-LJQANCHMSA-N 1 2 415.494 0.216 20 0 HCADLO CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000556612115 1078865059 /nfs/dbraw/zinc/86/50/59/1078865059.db2.gz CRMPQYXRYGRAHE-AWEZNQCLSA-N 1 2 405.499 0.834 20 0 HCADLO CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000556612116 1078865080 /nfs/dbraw/zinc/86/50/80/1078865080.db2.gz CRMPQYXRYGRAHE-CQSZACIVSA-N 1 2 405.499 0.834 20 0 HCADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000556626908 1078867494 /nfs/dbraw/zinc/86/74/94/1078867494.db2.gz RGDUBXZJYSUVRH-AWEZNQCLSA-N 1 2 401.471 0.017 20 0 HCADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000556626909 1078867525 /nfs/dbraw/zinc/86/75/25/1078867525.db2.gz RGDUBXZJYSUVRH-CQSZACIVSA-N 1 2 401.471 0.017 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000556628373 1078867819 /nfs/dbraw/zinc/86/78/19/1078867819.db2.gz VDQIMXSSEILALA-KRWDZBQOSA-N 1 2 411.930 0.885 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000556628375 1078867756 /nfs/dbraw/zinc/86/77/56/1078867756.db2.gz VDQIMXSSEILALA-QGZVFWFLSA-N 1 2 411.930 0.885 20 0 HCADLO COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000556629372 1078869060 /nfs/dbraw/zinc/86/90/60/1078869060.db2.gz DXDIFMCOPMKPQB-QZTJIDSGSA-N 1 2 403.479 0.068 20 0 HCADLO COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000556629373 1078868797 /nfs/dbraw/zinc/86/87/97/1078868797.db2.gz DXDIFMCOPMKPQB-ZWKOTPCHSA-N 1 2 403.479 0.068 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000556630958 1078876567 /nfs/dbraw/zinc/87/65/67/1078876567.db2.gz QOFQGWBSAFTEBE-CVEARBPZSA-N 1 2 415.498 0.194 20 0 HCADLO C[C@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000556630960 1078877021 /nfs/dbraw/zinc/87/70/21/1078877021.db2.gz QOFQGWBSAFTEBE-HOTGVXAUSA-N 1 2 415.498 0.194 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000556630961 1078876960 /nfs/dbraw/zinc/87/69/60/1078876960.db2.gz QOFQGWBSAFTEBE-HZPDHXFCSA-N 1 2 415.498 0.194 20 0 HCADLO C[C@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000556630962 1078876925 /nfs/dbraw/zinc/87/69/25/1078876925.db2.gz QOFQGWBSAFTEBE-JKSUJKDBSA-N 1 2 415.498 0.194 20 0 HCADLO O=C(NCCn1cccn1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000556633108 1078877547 /nfs/dbraw/zinc/87/75/47/1078877547.db2.gz CQQVUOBAPYFFTC-UHFFFAOYSA-N 1 2 401.467 0.027 20 0 HCADLO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556635728 1078880700 /nfs/dbraw/zinc/88/07/00/1078880700.db2.gz VMLNSJYSXBMVHM-CVEARBPZSA-N 1 2 413.526 0.628 20 0 HCADLO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556635729 1078880639 /nfs/dbraw/zinc/88/06/39/1078880639.db2.gz VMLNSJYSXBMVHM-HOTGVXAUSA-N 1 2 413.526 0.628 20 0 HCADLO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556635730 1078880645 /nfs/dbraw/zinc/88/06/45/1078880645.db2.gz VMLNSJYSXBMVHM-HZPDHXFCSA-N 1 2 413.526 0.628 20 0 HCADLO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556635731 1078880685 /nfs/dbraw/zinc/88/06/85/1078880685.db2.gz VMLNSJYSXBMVHM-JKSUJKDBSA-N 1 2 413.526 0.628 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCOC2CCCC2)CC1 ZINC000556639255 1078883139 /nfs/dbraw/zinc/88/31/39/1078883139.db2.gz KMPZABPTXURGDA-UHFFFAOYSA-N 1 2 401.471 0.087 20 0 HCADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000556639748 1078884194 /nfs/dbraw/zinc/88/41/94/1078884194.db2.gz LTYGFKBNZDHCFT-HNNXBMFYSA-N 1 2 405.480 0.029 20 0 HCADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000556639759 1078884207 /nfs/dbraw/zinc/88/42/07/1078884207.db2.gz LTYGFKBNZDHCFT-OAHLLOKOSA-N 1 2 405.480 0.029 20 0 HCADLO Cn1ccnc1CN1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000556641518 1078884497 /nfs/dbraw/zinc/88/44/97/1078884497.db2.gz ZNZGBESECKRAHG-UHFFFAOYSA-N 1 2 407.478 0.566 20 0 HCADLO Cn1cc(N2CCN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2=O)cn1 ZINC000556641735 1078886609 /nfs/dbraw/zinc/88/66/09/1078886609.db2.gz PAUUABCDJSMSRW-UHFFFAOYSA-N 1 2 407.434 0.097 20 0 HCADLO CCOc1ccnc(N2CCCN(C(=O)C(=O)NCCCCn3cc[nH+]c3)CC2)n1 ZINC000556645521 1078888629 /nfs/dbraw/zinc/88/86/29/1078888629.db2.gz LTIBGGBZXPKSTR-UHFFFAOYSA-N 1 2 415.498 0.707 20 0 HCADLO Cn1cc(CN2CCN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)cn1 ZINC000556646537 1078889041 /nfs/dbraw/zinc/88/90/41/1078889041.db2.gz UPSPJHVAHLNNCB-UHFFFAOYSA-N 1 2 407.478 0.566 20 0 HCADLO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000556646805 1078881781 /nfs/dbraw/zinc/88/17/81/1078881781.db2.gz GVMHFSWHOVQKPU-AWEZNQCLSA-N 1 2 407.496 0.565 20 0 HCADLO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000556646806 1078881748 /nfs/dbraw/zinc/88/17/48/1078881748.db2.gz GVMHFSWHOVQKPU-CQSZACIVSA-N 1 2 407.496 0.565 20 0 HCADLO COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCCn3cc[nH+]c3)C2=O)cc1 ZINC000556646855 1078881722 /nfs/dbraw/zinc/88/17/22/1078881722.db2.gz HIXVCNADHCNPCT-GOSISDBHSA-N 1 2 413.478 0.705 20 0 HCADLO COc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCCn3cc[nH+]c3)C2=O)cc1 ZINC000556646873 1078881702 /nfs/dbraw/zinc/88/17/02/1078881702.db2.gz HIXVCNADHCNPCT-SFHVURJKSA-N 1 2 413.478 0.705 20 0 HCADLO C[C@@]1(C2CCN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)NC(=O)NC1=O ZINC000556649609 1078895078 /nfs/dbraw/zinc/89/50/78/1078895078.db2.gz RNQYXAVFXUICCO-NRFANRHFSA-N 1 2 424.461 0.325 20 0 HCADLO C[C@]1(C2CCN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)NC(=O)NC1=O ZINC000556649610 1078895086 /nfs/dbraw/zinc/89/50/86/1078895086.db2.gz RNQYXAVFXUICCO-OAQYLSRUSA-N 1 2 424.461 0.325 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2cccc3c2OCO3)CC1 ZINC000556649850 1078895847 /nfs/dbraw/zinc/89/58/47/1078895847.db2.gz UGQLKIICHMVMOJ-UHFFFAOYSA-N 1 2 418.494 0.434 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2cccc3c2OCO3)CC1 ZINC000556649850 1078895846 /nfs/dbraw/zinc/89/58/46/1078895846.db2.gz UGQLKIICHMVMOJ-UHFFFAOYSA-N 1 2 418.494 0.434 20 0 HCADLO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCCCCn3cc[nH+]c3)CC2)c(C)o1 ZINC000556652869 1078890393 /nfs/dbraw/zinc/89/03/93/1078890393.db2.gz AOFIYBXKHMYOTD-UHFFFAOYSA-N 1 2 401.467 0.974 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000556653598 1078890404 /nfs/dbraw/zinc/89/04/04/1078890404.db2.gz UAOCMXQUEFHBOR-INIZCTEOSA-N 1 2 413.478 0.584 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000556653598 1078890401 /nfs/dbraw/zinc/89/04/01/1078890401.db2.gz UAOCMXQUEFHBOR-INIZCTEOSA-N 1 2 413.478 0.584 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000556653601 1078890388 /nfs/dbraw/zinc/89/03/88/1078890388.db2.gz UAOCMXQUEFHBOR-MRXNPFEDSA-N 1 2 413.478 0.584 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000556653601 1078890384 /nfs/dbraw/zinc/89/03/84/1078890384.db2.gz UAOCMXQUEFHBOR-MRXNPFEDSA-N 1 2 413.478 0.584 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000556653787 1078890414 /nfs/dbraw/zinc/89/04/14/1078890414.db2.gz AEHVTJAIIKHZOZ-UHFFFAOYSA-N 1 2 402.495 0.167 20 0 HCADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C1=O ZINC000556654133 1078890427 /nfs/dbraw/zinc/89/04/27/1078890427.db2.gz DNWJXKRDVIPXBM-HNNXBMFYSA-N 1 2 401.471 0.308 20 0 HCADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C1=O ZINC000556654138 1078890410 /nfs/dbraw/zinc/89/04/10/1078890410.db2.gz DNWJXKRDVIPXBM-OAHLLOKOSA-N 1 2 401.471 0.308 20 0 HCADLO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556654425 1078890432 /nfs/dbraw/zinc/89/04/32/1078890432.db2.gz AESNQYYKHWTKHP-WMZOPIPTSA-N 1 2 419.505 0.584 20 0 HCADLO O=C(COc1ccc(CCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1)NC1CC1 ZINC000556655637 1078891212 /nfs/dbraw/zinc/89/12/12/1078891212.db2.gz SAGJJPJHEXKQMK-UHFFFAOYSA-N 1 2 414.506 0.309 20 0 HCADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000556656312 1078891311 /nfs/dbraw/zinc/89/13/11/1078891311.db2.gz MLSGRENKCNWGMF-UHFFFAOYSA-N 1 2 401.442 0.903 20 0 HCADLO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](CN(C)S(C)(=O)=O)C3)C2=O)cn1 ZINC000556772158 1078951950 /nfs/dbraw/zinc/95/19/50/1078951950.db2.gz LHMDLJQISRXJQZ-DZGCQCFKSA-N 1 2 410.496 0.326 20 0 HCADLO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](CN(C)S(C)(=O)=O)C3)C2=O)cn1 ZINC000556772158 1078951937 /nfs/dbraw/zinc/95/19/37/1078951937.db2.gz LHMDLJQISRXJQZ-DZGCQCFKSA-N 1 2 410.496 0.326 20 0 HCADLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](CN(C)S(C)(=O)=O)C3)C2=O)cn1 ZINC000556772159 1078952109 /nfs/dbraw/zinc/95/21/09/1078952109.db2.gz LHMDLJQISRXJQZ-HIFRSBDPSA-N 1 2 410.496 0.326 20 0 HCADLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](CN(C)S(C)(=O)=O)C3)C2=O)cn1 ZINC000556772159 1078952105 /nfs/dbraw/zinc/95/21/05/1078952105.db2.gz LHMDLJQISRXJQZ-HIFRSBDPSA-N 1 2 410.496 0.326 20 0 HCADLO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](CN(C)S(C)(=O)=O)C3)C2=O)cn1 ZINC000556772160 1078951915 /nfs/dbraw/zinc/95/19/15/1078951915.db2.gz LHMDLJQISRXJQZ-UKRRQHHQSA-N 1 2 410.496 0.326 20 0 HCADLO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](CN(C)S(C)(=O)=O)C3)C2=O)cn1 ZINC000556772160 1078951900 /nfs/dbraw/zinc/95/19/00/1078951900.db2.gz LHMDLJQISRXJQZ-UKRRQHHQSA-N 1 2 410.496 0.326 20 0 HCADLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](CN(C)S(C)(=O)=O)C3)C2=O)cn1 ZINC000556772161 1078952085 /nfs/dbraw/zinc/95/20/85/1078952085.db2.gz LHMDLJQISRXJQZ-ZFWWWQNUSA-N 1 2 410.496 0.326 20 0 HCADLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](CN(C)S(C)(=O)=O)C3)C2=O)cn1 ZINC000556772161 1078952077 /nfs/dbraw/zinc/95/20/77/1078952077.db2.gz LHMDLJQISRXJQZ-ZFWWWQNUSA-N 1 2 410.496 0.326 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(C(N)=O)n(-c3ccccc3)n1)C2 ZINC000556832304 1078999291 /nfs/dbraw/zinc/99/92/91/1078999291.db2.gz HASAVABWYBXINV-AWEZNQCLSA-N 1 2 408.462 0.756 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(C(N)=O)n(-c3ccccc3)n1)C2 ZINC000556832305 1078999186 /nfs/dbraw/zinc/99/91/86/1078999186.db2.gz HASAVABWYBXINV-CQSZACIVSA-N 1 2 408.462 0.756 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1nc(S(C)(=O)=O)n3ccccc13)C2 ZINC000556832763 1078998544 /nfs/dbraw/zinc/99/85/44/1078998544.db2.gz LNBHBBHOHKOQQZ-CYBMUJFWSA-N 1 2 417.491 0.522 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1nc(S(C)(=O)=O)n3ccccc13)C2 ZINC000556832764 1078998513 /nfs/dbraw/zinc/99/85/13/1078998513.db2.gz LNBHBBHOHKOQQZ-ZDUSSCGKSA-N 1 2 417.491 0.522 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CN1C(=O)N(C)C3(CCCCC3)C1=O)C2 ZINC000556832960 1079000682 /nfs/dbraw/zinc/00/06/82/1079000682.db2.gz SZTZLUWMGZAUJB-HNNXBMFYSA-N 1 2 417.510 0.754 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CN1C(=O)N(C)C3(CCCCC3)C1=O)C2 ZINC000556832963 1079000586 /nfs/dbraw/zinc/00/05/86/1079000586.db2.gz SZTZLUWMGZAUJB-OAHLLOKOSA-N 1 2 417.510 0.754 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C2 ZINC000556833018 1079000509 /nfs/dbraw/zinc/00/05/09/1079000509.db2.gz QTUZJFDONAHMKT-HNNXBMFYSA-N 1 2 406.508 0.526 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C2 ZINC000556833019 1079000605 /nfs/dbraw/zinc/00/06/05/1079000605.db2.gz QTUZJFDONAHMKT-OAHLLOKOSA-N 1 2 406.508 0.526 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)C2 ZINC000556833456 1079000061 /nfs/dbraw/zinc/00/00/61/1079000061.db2.gz OJJDQWWBSWLNSA-HNNXBMFYSA-N 1 2 406.508 0.478 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)C2 ZINC000556833457 1079000234 /nfs/dbraw/zinc/00/02/34/1079000234.db2.gz OJJDQWWBSWLNSA-OAHLLOKOSA-N 1 2 406.508 0.478 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CNC(=O)c1cnc3ccccc3c1O)C2 ZINC000556836157 1079001700 /nfs/dbraw/zinc/00/17/00/1079001700.db2.gz AMROCZXBABXWFI-AWEZNQCLSA-N 1 2 423.473 0.429 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CNC(=O)c1cnc3ccccc3c1O)C2 ZINC000556836158 1079001973 /nfs/dbraw/zinc/00/19/73/1079001973.db2.gz AMROCZXBABXWFI-CQSZACIVSA-N 1 2 423.473 0.429 20 0 HCADLO CCOc1ccc(C(=O)NCC(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1 ZINC000556836486 1079001951 /nfs/dbraw/zinc/00/19/51/1079001951.db2.gz QOESQUIQERBMKF-INIZCTEOSA-N 1 2 400.479 0.986 20 0 HCADLO CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1 ZINC000556836487 1079001817 /nfs/dbraw/zinc/00/18/17/1079001817.db2.gz QOESQUIQERBMKF-MRXNPFEDSA-N 1 2 400.479 0.986 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CNC(=O)c1ccc3c(c1)OCO3)C2 ZINC000556836588 1079001890 /nfs/dbraw/zinc/00/18/90/1079001890.db2.gz UMHQJGNUSGEKNW-AWEZNQCLSA-N 1 2 400.435 0.316 20 0 HCADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CNC(=O)c1ccc3c(c1)OCO3)C2 ZINC000556836593 1079001856 /nfs/dbraw/zinc/00/18/56/1079001856.db2.gz UMHQJGNUSGEKNW-CQSZACIVSA-N 1 2 400.435 0.316 20 0 HCADLO CC(C)NC(=O)CN(C)CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000556868062 1079016515 /nfs/dbraw/zinc/01/65/15/1079016515.db2.gz GHRYJECTKSDMGV-UHFFFAOYSA-N 1 2 403.527 0.662 20 0 HCADLO COc1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000556884405 1079020535 /nfs/dbraw/zinc/02/05/35/1079020535.db2.gz JONPKNYIECQNPO-CYBMUJFWSA-N 1 2 400.497 0.825 20 0 HCADLO COc1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000556884405 1079020532 /nfs/dbraw/zinc/02/05/32/1079020532.db2.gz JONPKNYIECQNPO-CYBMUJFWSA-N 1 2 400.497 0.825 20 0 HCADLO COc1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000556884409 1079020461 /nfs/dbraw/zinc/02/04/61/1079020461.db2.gz JONPKNYIECQNPO-ZDUSSCGKSA-N 1 2 400.497 0.825 20 0 HCADLO COc1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000556884409 1079020454 /nfs/dbraw/zinc/02/04/54/1079020454.db2.gz JONPKNYIECQNPO-ZDUSSCGKSA-N 1 2 400.497 0.825 20 0 HCADLO Cc1cc(Cn2nnc(C(=O)N3CC[C@H](OCC[NH+]4CCOCC4)C3)c2C)no1 ZINC000556928047 1079039861 /nfs/dbraw/zinc/03/98/61/1079039861.db2.gz NRTVOLKPMLUCKL-KRWDZBQOSA-N 1 2 404.471 0.495 20 0 HCADLO Cc1cc(Cn2nnc(C(=O)N3CC[C@@H](OCC[NH+]4CCOCC4)C3)c2C)no1 ZINC000556928051 1079039743 /nfs/dbraw/zinc/03/97/43/1079039743.db2.gz NRTVOLKPMLUCKL-QGZVFWFLSA-N 1 2 404.471 0.495 20 0 HCADLO Cc1cc(Cn2nnc(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)c2C)no1 ZINC000556957681 1079048871 /nfs/dbraw/zinc/04/88/71/1079048871.db2.gz WILGWBPFZXNUQE-UHFFFAOYSA-N 1 2 424.465 0.966 20 0 HCADLO O=C(c1ccsc1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000556959785 1079049750 /nfs/dbraw/zinc/04/97/50/1079049750.db2.gz CFFJPLKYOFMJHG-KRWDZBQOSA-N 1 2 420.535 0.213 20 0 HCADLO CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000556960711 1079050057 /nfs/dbraw/zinc/05/00/57/1079050057.db2.gz BOAMSLYJSMZRLR-GOSISDBHSA-N 1 2 423.535 0.028 20 0 HCADLO CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000556960712 1079050089 /nfs/dbraw/zinc/05/00/89/1079050089.db2.gz BOAMSLYJSMZRLR-SFHVURJKSA-N 1 2 423.535 0.028 20 0 HCADLO CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000556960770 1079050264 /nfs/dbraw/zinc/05/02/64/1079050264.db2.gz ZCWQFNVIRKVOCN-KRWDZBQOSA-N 1 2 402.495 0.944 20 0 HCADLO CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000556960771 1079050117 /nfs/dbraw/zinc/05/01/17/1079050117.db2.gz ZCWQFNVIRKVOCN-QGZVFWFLSA-N 1 2 402.495 0.944 20 0 HCADLO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000556973999 1079053511 /nfs/dbraw/zinc/05/35/11/1079053511.db2.gz CKTSMIDCMINRQD-UHFFFAOYSA-N 1 2 422.551 0.686 20 0 HCADLO COc1ccc(CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1S(N)(=O)=O ZINC000556975539 1079058831 /nfs/dbraw/zinc/05/88/31/1079058831.db2.gz VDNAICVTFTYDHJ-HNNXBMFYSA-N 1 2 421.523 0.996 20 0 HCADLO COc1ccc(CCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1S(N)(=O)=O ZINC000556975539 1079058825 /nfs/dbraw/zinc/05/88/25/1079058825.db2.gz VDNAICVTFTYDHJ-HNNXBMFYSA-N 1 2 421.523 0.996 20 0 HCADLO COc1ccc(CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1S(N)(=O)=O ZINC000556975540 1079058919 /nfs/dbraw/zinc/05/89/19/1079058919.db2.gz VDNAICVTFTYDHJ-OAHLLOKOSA-N 1 2 421.523 0.996 20 0 HCADLO COc1ccc(CCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1S(N)(=O)=O ZINC000556975540 1079058915 /nfs/dbraw/zinc/05/89/15/1079058915.db2.gz VDNAICVTFTYDHJ-OAHLLOKOSA-N 1 2 421.523 0.996 20 0 HCADLO CS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000556981614 1079063296 /nfs/dbraw/zinc/06/32/96/1079063296.db2.gz GLSOJUWOJRQMJW-MRXNPFEDSA-N 1 2 409.508 0.350 20 0 HCADLO O=C(NCCCS(=O)(=O)c1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000556982488 1079057729 /nfs/dbraw/zinc/05/77/29/1079057729.db2.gz UJXURDHBSQVVIL-QGZVFWFLSA-N 1 2 423.535 0.147 20 0 HCADLO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556985642 1079065354 /nfs/dbraw/zinc/06/53/54/1079065354.db2.gz JYEJQDWPGDVUEU-KRWDZBQOSA-N 1 2 401.511 0.052 20 0 HCADLO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556985647 1079065592 /nfs/dbraw/zinc/06/55/92/1079065592.db2.gz JYEJQDWPGDVUEU-QGZVFWFLSA-N 1 2 401.511 0.052 20 0 HCADLO Cc1cc(N2CCN(C(=O)C(=O)N[C@@H](C)CN3CCCC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000556986006 1079066307 /nfs/dbraw/zinc/06/63/07/1079066307.db2.gz MQMILTUBTFIASP-INIZCTEOSA-N 1 2 416.526 0.684 20 0 HCADLO Cc1cc(N2CCN(C(=O)C(=O)N[C@H](C)CN3CCCC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000556986007 1079066395 /nfs/dbraw/zinc/06/63/95/1079066395.db2.gz MQMILTUBTFIASP-MRXNPFEDSA-N 1 2 416.526 0.684 20 0 HCADLO CCn1c(=O)[nH]c2cc(C(=O)NC[C@H]3CCC[N@@H+](CC(=O)OC)C3)ccc2c1=O ZINC000556988522 1079068776 /nfs/dbraw/zinc/06/87/76/1079068776.db2.gz GUCCVMDMADSMES-CYBMUJFWSA-N 1 2 402.451 0.737 20 0 HCADLO CCn1c(=O)[nH]c2cc(C(=O)NC[C@H]3CCC[N@H+](CC(=O)OC)C3)ccc2c1=O ZINC000556988522 1079068770 /nfs/dbraw/zinc/06/87/70/1079068770.db2.gz GUCCVMDMADSMES-CYBMUJFWSA-N 1 2 402.451 0.737 20 0 HCADLO CCn1c(=O)[nH]c2cc(C(=O)NC[C@@H]3CCC[N@@H+](CC(=O)OC)C3)ccc2c1=O ZINC000556988523 1079068909 /nfs/dbraw/zinc/06/89/09/1079068909.db2.gz GUCCVMDMADSMES-ZDUSSCGKSA-N 1 2 402.451 0.737 20 0 HCADLO CCn1c(=O)[nH]c2cc(C(=O)NC[C@@H]3CCC[N@H+](CC(=O)OC)C3)ccc2c1=O ZINC000556988523 1079068903 /nfs/dbraw/zinc/06/89/03/1079068903.db2.gz GUCCVMDMADSMES-ZDUSSCGKSA-N 1 2 402.451 0.737 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000556988534 1079068930 /nfs/dbraw/zinc/06/89/30/1079068930.db2.gz HFXRMGIVEAYFTO-CVEARBPZSA-N 1 2 403.545 0.582 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000556988534 1079068924 /nfs/dbraw/zinc/06/89/24/1079068924.db2.gz HFXRMGIVEAYFTO-CVEARBPZSA-N 1 2 403.545 0.582 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000556988535 1079068854 /nfs/dbraw/zinc/06/88/54/1079068854.db2.gz HFXRMGIVEAYFTO-HOTGVXAUSA-N 1 2 403.545 0.582 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000556988535 1079068849 /nfs/dbraw/zinc/06/88/49/1079068849.db2.gz HFXRMGIVEAYFTO-HOTGVXAUSA-N 1 2 403.545 0.582 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000556988536 1079068815 /nfs/dbraw/zinc/06/88/15/1079068815.db2.gz HFXRMGIVEAYFTO-HZPDHXFCSA-N 1 2 403.545 0.582 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000556988536 1079068813 /nfs/dbraw/zinc/06/88/13/1079068813.db2.gz HFXRMGIVEAYFTO-HZPDHXFCSA-N 1 2 403.545 0.582 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000556988537 1079068893 /nfs/dbraw/zinc/06/88/93/1079068893.db2.gz HFXRMGIVEAYFTO-JKSUJKDBSA-N 1 2 403.545 0.582 20 0 HCADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000556988537 1079068888 /nfs/dbraw/zinc/06/88/88/1079068888.db2.gz HFXRMGIVEAYFTO-JKSUJKDBSA-N 1 2 403.545 0.582 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000556988724 1079068371 /nfs/dbraw/zinc/06/83/71/1079068371.db2.gz KCAGGDCDWYDCSQ-HNNXBMFYSA-N 1 2 415.498 0.342 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000556988724 1079068367 /nfs/dbraw/zinc/06/83/67/1079068367.db2.gz KCAGGDCDWYDCSQ-HNNXBMFYSA-N 1 2 415.498 0.342 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000556988725 1079068835 /nfs/dbraw/zinc/06/88/35/1079068835.db2.gz KCAGGDCDWYDCSQ-OAHLLOKOSA-N 1 2 415.498 0.342 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000556988725 1079068834 /nfs/dbraw/zinc/06/88/34/1079068834.db2.gz KCAGGDCDWYDCSQ-OAHLLOKOSA-N 1 2 415.498 0.342 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000556988890 1079068431 /nfs/dbraw/zinc/06/84/31/1079068431.db2.gz MOCRVHCNKADOJW-CDHQVMDDSA-N 1 2 403.479 0.586 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000556988890 1079068424 /nfs/dbraw/zinc/06/84/24/1079068424.db2.gz MOCRVHCNKADOJW-CDHQVMDDSA-N 1 2 403.479 0.586 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000556988891 1079068523 /nfs/dbraw/zinc/06/85/23/1079068523.db2.gz MOCRVHCNKADOJW-UIAACRFSSA-N 1 2 403.479 0.586 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000556988891 1079068518 /nfs/dbraw/zinc/06/85/18/1079068518.db2.gz MOCRVHCNKADOJW-UIAACRFSSA-N 1 2 403.479 0.586 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000556988892 1079068486 /nfs/dbraw/zinc/06/84/86/1079068486.db2.gz MOCRVHCNKADOJW-XPGWFJOJSA-N 1 2 403.479 0.586 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000556988892 1079068481 /nfs/dbraw/zinc/06/84/81/1079068481.db2.gz MOCRVHCNKADOJW-XPGWFJOJSA-N 1 2 403.479 0.586 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000556988893 1079068350 /nfs/dbraw/zinc/06/83/50/1079068350.db2.gz MOCRVHCNKADOJW-YSGRDPCXSA-N 1 2 403.479 0.586 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000556988893 1079068343 /nfs/dbraw/zinc/06/83/43/1079068343.db2.gz MOCRVHCNKADOJW-YSGRDPCXSA-N 1 2 403.479 0.586 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000556989387 1079069833 /nfs/dbraw/zinc/06/98/33/1079069833.db2.gz COOHQSLDKJTGCD-AWEZNQCLSA-N 1 2 415.487 0.495 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000556989387 1079069830 /nfs/dbraw/zinc/06/98/30/1079069830.db2.gz COOHQSLDKJTGCD-AWEZNQCLSA-N 1 2 415.487 0.495 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000556989389 1079069854 /nfs/dbraw/zinc/06/98/54/1079069854.db2.gz COOHQSLDKJTGCD-CQSZACIVSA-N 1 2 415.487 0.495 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000556989389 1079069850 /nfs/dbraw/zinc/06/98/50/1079069850.db2.gz COOHQSLDKJTGCD-CQSZACIVSA-N 1 2 415.487 0.495 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)C1 ZINC000556990041 1079070572 /nfs/dbraw/zinc/07/05/72/1079070572.db2.gz UTJADRALJMWWDW-BXTJHSDWSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)C1 ZINC000556990041 1079070562 /nfs/dbraw/zinc/07/05/62/1079070562.db2.gz UTJADRALJMWWDW-BXTJHSDWSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)C1 ZINC000556990042 1079070478 /nfs/dbraw/zinc/07/04/78/1079070478.db2.gz UTJADRALJMWWDW-MDOVXXIYSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)C1 ZINC000556990042 1079070468 /nfs/dbraw/zinc/07/04/68/1079070468.db2.gz UTJADRALJMWWDW-MDOVXXIYSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C1 ZINC000556990043 1079070638 /nfs/dbraw/zinc/07/06/38/1079070638.db2.gz UTJADRALJMWWDW-STXHMFSFSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C1 ZINC000556990043 1079070629 /nfs/dbraw/zinc/07/06/29/1079070629.db2.gz UTJADRALJMWWDW-STXHMFSFSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)C1 ZINC000556990044 1079070874 /nfs/dbraw/zinc/07/08/74/1079070874.db2.gz UTJADRALJMWWDW-SXGZJXTBSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)C1 ZINC000556990044 1079070869 /nfs/dbraw/zinc/07/08/69/1079070869.db2.gz UTJADRALJMWWDW-SXGZJXTBSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000556992096 1079063279 /nfs/dbraw/zinc/06/32/79/1079063279.db2.gz RFFBGPJUTHESIQ-CHWWFWEZSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000556992096 1079063277 /nfs/dbraw/zinc/06/32/77/1079063277.db2.gz RFFBGPJUTHESIQ-CHWWFWEZSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000556992097 1079063504 /nfs/dbraw/zinc/06/35/04/1079063504.db2.gz RFFBGPJUTHESIQ-RDYUPDBUSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000556992097 1079063499 /nfs/dbraw/zinc/06/34/99/1079063499.db2.gz RFFBGPJUTHESIQ-RDYUPDBUSA-N 1 2 408.499 0.488 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C1 ZINC000556992975 1079063366 /nfs/dbraw/zinc/06/33/66/1079063366.db2.gz YTVHLFQKCILKMR-CYBMUJFWSA-N 1 2 415.512 0.971 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C1 ZINC000556992975 1079063360 /nfs/dbraw/zinc/06/33/60/1079063360.db2.gz YTVHLFQKCILKMR-CYBMUJFWSA-N 1 2 415.512 0.971 20 0 HCADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C1 ZINC000556992977 1079063898 /nfs/dbraw/zinc/06/38/98/1079063898.db2.gz YTVHLFQKCILKMR-ZDUSSCGKSA-N 1 2 415.512 0.971 20 0 HCADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C1 ZINC000556992977 1079063891 /nfs/dbraw/zinc/06/38/91/1079063891.db2.gz YTVHLFQKCILKMR-ZDUSSCGKSA-N 1 2 415.512 0.971 20 0 HCADLO O=C(NC1CCN(c2nccs2)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557012250 1079078358 /nfs/dbraw/zinc/07/83/58/1079078358.db2.gz FRBZNQXTXWQWEG-UHFFFAOYSA-N 1 2 400.508 0.972 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCCC[C@@H]1CCO ZINC000557018705 1079089896 /nfs/dbraw/zinc/08/98/96/1079089896.db2.gz DSJZBTOHOKSZLZ-LJQANCHMSA-N 1 2 419.522 0.777 20 0 HCADLO Cc1nnc(CNC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000557019181 1079084663 /nfs/dbraw/zinc/08/46/63/1079084663.db2.gz HIOQOICQBKYYEK-UHFFFAOYSA-N 1 2 419.507 0.490 20 0 HCADLO CC[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557019260 1079084270 /nfs/dbraw/zinc/08/42/70/1079084270.db2.gz IMCXUDMRUDVVPS-GOSISDBHSA-N 1 2 405.495 0.651 20 0 HCADLO CC[C@H]1COCCN1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557019263 1079084221 /nfs/dbraw/zinc/08/42/21/1079084221.db2.gz IMCXUDMRUDVVPS-SFHVURJKSA-N 1 2 405.495 0.651 20 0 HCADLO CC1(CNC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCOCC1 ZINC000557019301 1079084315 /nfs/dbraw/zinc/08/43/15/1079084315.db2.gz JFVHLZCAJHHTDI-UHFFFAOYSA-N 1 2 419.522 0.947 20 0 HCADLO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000557020087 1079085250 /nfs/dbraw/zinc/08/52/50/1079085250.db2.gz FFIZKDIDJVWDGX-AEFFLSMTSA-N 1 2 405.495 0.698 20 0 HCADLO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000557020088 1079085160 /nfs/dbraw/zinc/08/51/60/1079085160.db2.gz FFIZKDIDJVWDGX-FUHWJXTLSA-N 1 2 405.495 0.698 20 0 HCADLO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000557020089 1079085272 /nfs/dbraw/zinc/08/52/72/1079085272.db2.gz FFIZKDIDJVWDGX-SJLPKXTDSA-N 1 2 405.495 0.698 20 0 HCADLO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000557020090 1079085305 /nfs/dbraw/zinc/08/53/05/1079085305.db2.gz FFIZKDIDJVWDGX-WMZOPIPTSA-N 1 2 405.495 0.698 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000557020141 1079085291 /nfs/dbraw/zinc/08/52/91/1079085291.db2.gz GVXBBAYZJPCNEO-AZUAARDMSA-N 1 2 417.506 0.698 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000557020143 1079085113 /nfs/dbraw/zinc/08/51/13/1079085113.db2.gz GVXBBAYZJPCNEO-ICSRJNTNSA-N 1 2 417.506 0.698 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000557020144 1079085102 /nfs/dbraw/zinc/08/51/02/1079085102.db2.gz GVXBBAYZJPCNEO-QUCCMNQESA-N 1 2 417.506 0.698 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000557020145 1079085228 /nfs/dbraw/zinc/08/52/28/1079085228.db2.gz GVXBBAYZJPCNEO-UYAOXDASSA-N 1 2 417.506 0.698 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000557020756 1079084726 /nfs/dbraw/zinc/08/47/26/1079084726.db2.gz RPTDJMLMZBYEHE-CALCHBBNSA-N 1 2 405.495 0.650 20 0 HCADLO CN(Cc1ccon1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557020805 1079084740 /nfs/dbraw/zinc/08/47/40/1079084740.db2.gz SLLNIWGEHXQVTF-UHFFFAOYSA-N 1 2 402.451 0.660 20 0 HCADLO CN(Cc1cnccn1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557020862 1079084640 /nfs/dbraw/zinc/08/46/40/1079084640.db2.gz AUUSKSQBUIIPMU-UHFFFAOYSA-N 1 2 413.478 0.462 20 0 HCADLO CC(C)N(C[C@H](C)O)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557021119 1079086133 /nfs/dbraw/zinc/08/61/33/1079086133.db2.gz NOPBERADFMXFEO-KRWDZBQOSA-N 1 2 407.511 0.632 20 0 HCADLO CC(C)N(C[C@@H](C)O)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557021121 1079086121 /nfs/dbraw/zinc/08/61/21/1079086121.db2.gz NOPBERADFMXFEO-QGZVFWFLSA-N 1 2 407.511 0.632 20 0 HCADLO CN(Cc1cc[nH]n1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557021274 1079086105 /nfs/dbraw/zinc/08/61/05/1079086105.db2.gz WXNOUTDNXFWXAY-UHFFFAOYSA-N 1 2 401.467 0.396 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CCCC[C@H]1CCO ZINC000557021440 1079085547 /nfs/dbraw/zinc/08/55/47/1079085547.db2.gz DUFATVUWYISQFG-IBGZPJMESA-N 1 2 419.522 0.777 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CCCC[C@@H]1CCO ZINC000557021442 1079085742 /nfs/dbraw/zinc/08/57/42/1079085742.db2.gz DUFATVUWYISQFG-LJQANCHMSA-N 1 2 419.522 0.777 20 0 HCADLO C[C@@]1(CNC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCOC1 ZINC000557021487 1079085764 /nfs/dbraw/zinc/08/57/64/1079085764.db2.gz GIJIGDRJSCZUKC-NRFANRHFSA-N 1 2 405.495 0.557 20 0 HCADLO C[C@]1(CNC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCOC1 ZINC000557021488 1079085585 /nfs/dbraw/zinc/08/55/85/1079085585.db2.gz GIJIGDRJSCZUKC-OAQYLSRUSA-N 1 2 405.495 0.557 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000557022300 1079086543 /nfs/dbraw/zinc/08/65/43/1079086543.db2.gz NOOBWGHGFNENBT-FHWLQOOXSA-N 1 2 417.506 0.243 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000557022301 1079086628 /nfs/dbraw/zinc/08/66/28/1079086628.db2.gz NOOBWGHGFNENBT-GBESFXJTSA-N 1 2 417.506 0.243 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000557022302 1079086703 /nfs/dbraw/zinc/08/67/03/1079086703.db2.gz NOOBWGHGFNENBT-IPMKNSEASA-N 1 2 417.506 0.243 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000557022303 1079086593 /nfs/dbraw/zinc/08/65/93/1079086593.db2.gz NOOBWGHGFNENBT-OTWHNJEPSA-N 1 2 417.506 0.243 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCCSCC1 ZINC000557022362 1079087037 /nfs/dbraw/zinc/08/70/37/1079087037.db2.gz JKTNBFVOUYEALM-UHFFFAOYSA-N 1 2 407.536 0.979 20 0 HCADLO CN(CC1CC(O)C1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557022488 1079086580 /nfs/dbraw/zinc/08/65/80/1079086580.db2.gz IGNMKCSVVFHCLP-UHFFFAOYSA-N 1 2 405.495 0.243 20 0 HCADLO C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557022589 1079086739 /nfs/dbraw/zinc/08/67/39/1079086739.db2.gz QJCYMLFLOKPCGJ-HKUYNNGSSA-N 1 2 419.522 0.776 20 0 HCADLO C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557022594 1079086646 /nfs/dbraw/zinc/08/66/46/1079086646.db2.gz QJCYMLFLOKPCGJ-IEBWSBKVSA-N 1 2 419.522 0.776 20 0 HCADLO C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557022596 1079086609 /nfs/dbraw/zinc/08/66/09/1079086609.db2.gz QJCYMLFLOKPCGJ-MJGOQNOKSA-N 1 2 419.522 0.776 20 0 HCADLO C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557022598 1079086485 /nfs/dbraw/zinc/08/64/85/1079086485.db2.gz QJCYMLFLOKPCGJ-PKOBYXMFSA-N 1 2 419.522 0.776 20 0 HCADLO Cn1ccc(CNC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000557023082 1079094283 /nfs/dbraw/zinc/09/42/83/1079094283.db2.gz MNMYLUWYGIFPBR-UHFFFAOYSA-N 1 2 401.467 0.064 20 0 HCADLO Cc1c(CNC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cnn1C ZINC000557023300 1079093902 /nfs/dbraw/zinc/09/39/02/1079093902.db2.gz OHZWNEPTMWQZGZ-UHFFFAOYSA-N 1 2 415.494 0.372 20 0 HCADLO CN(Cc1nccn1C)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557023420 1079093848 /nfs/dbraw/zinc/09/38/48/1079093848.db2.gz XCNFDZGXUCNMPF-UHFFFAOYSA-N 1 2 415.494 0.406 20 0 HCADLO CN(C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CCCC[C@H]1O ZINC000557023595 1079093400 /nfs/dbraw/zinc/09/34/00/1079093400.db2.gz UJPSOGMCJURVAR-WOJBJXKFSA-N 1 2 419.522 0.776 20 0 HCADLO CN(CC1(CO)CC1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557023777 1079086242 /nfs/dbraw/zinc/08/62/42/1079086242.db2.gz RZJDRCLMZPDJMN-UHFFFAOYSA-N 1 2 405.495 0.245 20 0 HCADLO CN(CC1CCOCC1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557023782 1079086026 /nfs/dbraw/zinc/08/60/26/1079086026.db2.gz SAMBUVBXJBFPHP-UHFFFAOYSA-N 1 2 419.522 0.899 20 0 HCADLO O=C(NCC[C@H]1CCOC1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557023936 1079087120 /nfs/dbraw/zinc/08/71/20/1079087120.db2.gz XOQKUXWRVXMUJT-KRWDZBQOSA-N 1 2 405.495 0.557 20 0 HCADLO O=C(NCC[C@@H]1CCOC1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557023937 1079086971 /nfs/dbraw/zinc/08/69/71/1079086971.db2.gz XOQKUXWRVXMUJT-QGZVFWFLSA-N 1 2 405.495 0.557 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCOCC2(CC2)C1 ZINC000557024534 1079094257 /nfs/dbraw/zinc/09/42/57/1079094257.db2.gz YVKLVXBUMKBLBH-UHFFFAOYSA-N 1 2 417.506 0.653 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccc4ncnn42)CC3)CC1 ZINC000557027636 1079091160 /nfs/dbraw/zinc/09/11/60/1079091160.db2.gz GBCOPBOOPQTARI-HNNXBMFYSA-N 1 2 422.493 0.306 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cccc4ncnn42)CC3)CC1 ZINC000557027642 1079091248 /nfs/dbraw/zinc/09/12/48/1079091248.db2.gz GBCOPBOOPQTARI-OAHLLOKOSA-N 1 2 422.493 0.306 20 0 HCADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)n1cc[nH+]c1 ZINC000557029960 1079091692 /nfs/dbraw/zinc/09/16/92/1079091692.db2.gz ADQIIUCQLAMHFM-CYBMUJFWSA-N 1 2 418.479 0.949 20 0 HCADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)n1cc[nH+]c1 ZINC000557029970 1079091746 /nfs/dbraw/zinc/09/17/46/1079091746.db2.gz ADQIIUCQLAMHFM-ZDUSSCGKSA-N 1 2 418.479 0.949 20 0 HCADLO O=C(NCCc1ccccn1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557037733 1079096725 /nfs/dbraw/zinc/09/67/25/1079096725.db2.gz CZBHDMIAJAYJPM-UHFFFAOYSA-N 1 2 412.490 0.768 20 0 HCADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000557038361 1079097218 /nfs/dbraw/zinc/09/72/18/1079097218.db2.gz VRNFJMBWXTTWRU-HNNXBMFYSA-N 1 2 400.483 0.963 20 0 HCADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000557038361 1079097215 /nfs/dbraw/zinc/09/72/15/1079097215.db2.gz VRNFJMBWXTTWRU-HNNXBMFYSA-N 1 2 400.483 0.963 20 0 HCADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000557038366 1079097155 /nfs/dbraw/zinc/09/71/55/1079097155.db2.gz VRNFJMBWXTTWRU-OAHLLOKOSA-N 1 2 400.483 0.963 20 0 HCADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000557038366 1079097149 /nfs/dbraw/zinc/09/71/49/1079097149.db2.gz VRNFJMBWXTTWRU-OAHLLOKOSA-N 1 2 400.483 0.963 20 0 HCADLO CC(=O)N1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000557046201 1079105929 /nfs/dbraw/zinc/10/59/29/1079105929.db2.gz PTBGRPCUYLJOEO-IBGZPJMESA-N 1 2 402.495 0.084 20 0 HCADLO CC(=O)N1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000557046201 1079105927 /nfs/dbraw/zinc/10/59/27/1079105927.db2.gz PTBGRPCUYLJOEO-IBGZPJMESA-N 1 2 402.495 0.084 20 0 HCADLO CC(=O)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000557046203 1079105421 /nfs/dbraw/zinc/10/54/21/1079105421.db2.gz PTBGRPCUYLJOEO-LJQANCHMSA-N 1 2 402.495 0.084 20 0 HCADLO CC(=O)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000557046203 1079105419 /nfs/dbraw/zinc/10/54/19/1079105419.db2.gz PTBGRPCUYLJOEO-LJQANCHMSA-N 1 2 402.495 0.084 20 0 HCADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]3CCCO3)CC1)CC2 ZINC000557060894 1079109208 /nfs/dbraw/zinc/10/92/08/1079109208.db2.gz GLQJGUYQINOGBU-GOSISDBHSA-N 1 2 417.506 0.912 20 0 HCADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(C(=O)[C@H]3CCCO3)CC1)CC2 ZINC000557060894 1079109206 /nfs/dbraw/zinc/10/92/06/1079109206.db2.gz GLQJGUYQINOGBU-GOSISDBHSA-N 1 2 417.506 0.912 20 0 HCADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]3CCCO3)CC1)CC2 ZINC000557060896 1079109171 /nfs/dbraw/zinc/10/91/71/1079109171.db2.gz GLQJGUYQINOGBU-SFHVURJKSA-N 1 2 417.506 0.912 20 0 HCADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]3CCCO3)CC1)CC2 ZINC000557060896 1079109168 /nfs/dbraw/zinc/10/91/68/1079109168.db2.gz GLQJGUYQINOGBU-SFHVURJKSA-N 1 2 417.506 0.912 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC000557060957 1079109122 /nfs/dbraw/zinc/10/91/22/1079109122.db2.gz VSDGXHDUDRKTIM-HKUYNNGSSA-N 1 2 405.543 0.674 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC000557060958 1079109223 /nfs/dbraw/zinc/10/92/23/1079109223.db2.gz VSDGXHDUDRKTIM-IEBWSBKVSA-N 1 2 405.543 0.674 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC000557060959 1079109187 /nfs/dbraw/zinc/10/91/87/1079109187.db2.gz VSDGXHDUDRKTIM-MJGOQNOKSA-N 1 2 405.543 0.674 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC000557060961 1079109178 /nfs/dbraw/zinc/10/91/78/1079109178.db2.gz VSDGXHDUDRKTIM-PKOBYXMFSA-N 1 2 405.543 0.674 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1)[NH+]1CCOCC1 ZINC000557064038 1079115897 /nfs/dbraw/zinc/11/58/97/1079115897.db2.gz VBCZNRAYLAIHAO-DLBZAZTESA-N 1 2 404.515 0.035 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1)[NH+]1CCOCC1 ZINC000557064039 1079115830 /nfs/dbraw/zinc/11/58/30/1079115830.db2.gz VBCZNRAYLAIHAO-IAGOWNOFSA-N 1 2 404.515 0.035 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1)[NH+]1CCOCC1 ZINC000557064040 1079115821 /nfs/dbraw/zinc/11/58/21/1079115821.db2.gz VBCZNRAYLAIHAO-IRXDYDNUSA-N 1 2 404.515 0.035 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1)[NH+]1CCOCC1 ZINC000557064041 1079115860 /nfs/dbraw/zinc/11/58/60/1079115860.db2.gz VBCZNRAYLAIHAO-SJORKVTESA-N 1 2 404.515 0.035 20 0 HCADLO CN(C)C(=O)CCCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000557084426 1079124821 /nfs/dbraw/zinc/12/48/21/1079124821.db2.gz DWNSNOAVFISFPH-INIZCTEOSA-N 1 2 418.542 0.208 20 0 HCADLO CN(C)C(=O)CCCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000557084428 1079124804 /nfs/dbraw/zinc/12/48/04/1079124804.db2.gz DWNSNOAVFISFPH-MRXNPFEDSA-N 1 2 418.542 0.208 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CCC[C@@H](O)C2)CC3)CC1 ZINC000557085603 1079125338 /nfs/dbraw/zinc/12/53/38/1079125338.db2.gz PHEPPAMUUQHWFY-BRWVUGGUSA-N 1 2 403.527 0.500 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CCC[C@H](O)C2)CC3)CC1 ZINC000557085604 1079125376 /nfs/dbraw/zinc/12/53/76/1079125376.db2.gz PHEPPAMUUQHWFY-IKGGRYGDSA-N 1 2 403.527 0.500 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CCC[C@@H](O)C2)CC3)CC1 ZINC000557085605 1079125264 /nfs/dbraw/zinc/12/52/64/1079125264.db2.gz PHEPPAMUUQHWFY-IXDOHACOSA-N 1 2 403.527 0.500 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CCC[C@H](O)C2)CC3)CC1 ZINC000557085606 1079125219 /nfs/dbraw/zinc/12/52/19/1079125219.db2.gz PHEPPAMUUQHWFY-ZACQAIPSSA-N 1 2 403.527 0.500 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)CC3)CC1 ZINC000557086773 1079125938 /nfs/dbraw/zinc/12/59/38/1079125938.db2.gz CVMPTJMQZWAKOZ-ABSDTBQOSA-N 1 2 417.554 0.891 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)CC3)CC1 ZINC000557086777 1079125895 /nfs/dbraw/zinc/12/58/95/1079125895.db2.gz CVMPTJMQZWAKOZ-FUHIMQAGSA-N 1 2 417.554 0.891 20 0 HCADLO CCC[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000564350966 1078581607 /nfs/dbraw/zinc/58/16/07/1078581607.db2.gz XXDRVKSBBAAVLZ-QGZVFWFLSA-N 1 2 400.479 0.664 20 0 HCADLO CCC[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000564350966 1078581595 /nfs/dbraw/zinc/58/15/95/1078581595.db2.gz XXDRVKSBBAAVLZ-QGZVFWFLSA-N 1 2 400.479 0.664 20 0 HCADLO O=C(CCNC(=O)C(=O)N1CCOC2(CCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000572549785 1078879016 /nfs/dbraw/zinc/87/90/16/1078879016.db2.gz JUNPIKDISRKVSC-UHFFFAOYSA-N 1 2 415.494 0.018 20 0 HCADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCn3cnnc3C2)c2ccc(Cl)cc2)C1 ZINC000572561863 1078928143 /nfs/dbraw/zinc/92/81/43/1078928143.db2.gz VLXLZRXHWXOTMW-DOTOQJQBSA-N 1 2 418.885 0.462 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCn3cnnc3C2)c2ccc(Cl)cc2)C1 ZINC000572561863 1078928134 /nfs/dbraw/zinc/92/81/34/1078928134.db2.gz VLXLZRXHWXOTMW-DOTOQJQBSA-N 1 2 418.885 0.462 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCn3cnnc3C2)c2ccc(Cl)cc2)C1 ZINC000572561864 1078928111 /nfs/dbraw/zinc/92/81/11/1078928111.db2.gz VLXLZRXHWXOTMW-NVXWUHKLSA-N 1 2 418.885 0.462 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCn3cnnc3C2)c2ccc(Cl)cc2)C1 ZINC000572561864 1078928101 /nfs/dbraw/zinc/92/81/01/1078928101.db2.gz VLXLZRXHWXOTMW-NVXWUHKLSA-N 1 2 418.885 0.462 20 0 HCADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCn3cnnc3C2)c2ccc(Cl)cc2)C1 ZINC000572561865 1078927986 /nfs/dbraw/zinc/92/79/86/1078927986.db2.gz VLXLZRXHWXOTMW-RDJZCZTQSA-N 1 2 418.885 0.462 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCn3cnnc3C2)c2ccc(Cl)cc2)C1 ZINC000572561865 1078927975 /nfs/dbraw/zinc/92/79/75/1078927975.db2.gz VLXLZRXHWXOTMW-RDJZCZTQSA-N 1 2 418.885 0.462 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCn3cnnc3C2)c2ccc(Cl)cc2)C1 ZINC000572561866 1078927896 /nfs/dbraw/zinc/92/78/96/1078927896.db2.gz VLXLZRXHWXOTMW-WBVHZDCISA-N 1 2 418.885 0.462 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCn3cnnc3C2)c2ccc(Cl)cc2)C1 ZINC000572561866 1078927888 /nfs/dbraw/zinc/92/78/88/1078927888.db2.gz VLXLZRXHWXOTMW-WBVHZDCISA-N 1 2 418.885 0.462 20 0 HCADLO CCOC1CC(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)(N2CCOCC2)C1 ZINC000572563970 1078938602 /nfs/dbraw/zinc/93/86/02/1078938602.db2.gz UGBZQWKFCVJVEM-UHFFFAOYSA-N 1 2 419.526 0.502 20 0 HCADLO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C(=O)N3CC[NH+](CCOC)CC3)ccc2NC1=O ZINC000580592988 1079210632 /nfs/dbraw/zinc/21/06/32/1079210632.db2.gz BKVYZUYLELPVKN-PBHICJAKSA-N 1 2 418.494 0.764 20 0 HCADLO CCOC(=O)CC1(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000580602017 1079211247 /nfs/dbraw/zinc/21/12/47/1079211247.db2.gz ZHBYLRUJUOOFOL-UHFFFAOYSA-N 1 2 411.528 0.394 20 0 HCADLO C[C@H](O)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000580665868 1079218250 /nfs/dbraw/zinc/21/82/50/1079218250.db2.gz OHASXNCZZNJDCK-HKUYNNGSSA-N 1 2 419.522 0.633 20 0 HCADLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000597984592 1073405524 /nfs/dbraw/zinc/40/55/24/1073405524.db2.gz XQDGUHDRAJDVPH-INIZCTEOSA-N 1 2 419.526 0.352 20 0 HCADLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000597984593 1073405652 /nfs/dbraw/zinc/40/56/52/1073405652.db2.gz XQDGUHDRAJDVPH-MRXNPFEDSA-N 1 2 419.526 0.352 20 0 HCADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000597989013 1073407917 /nfs/dbraw/zinc/40/79/17/1073407917.db2.gz CVHSPKCDIURSEN-INIZCTEOSA-N 1 2 400.479 0.148 20 0 HCADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000597989014 1073408009 /nfs/dbraw/zinc/40/80/09/1073408009.db2.gz CVHSPKCDIURSEN-MRXNPFEDSA-N 1 2 400.479 0.148 20 0 HCADLO CC(=O)N1CCc2cc(S(=O)(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)ccc21 ZINC000598028247 1073411013 /nfs/dbraw/zinc/41/10/13/1073411013.db2.gz NOPJYNCDKSARES-UHFFFAOYSA-N 1 2 408.524 0.427 20 0 HCADLO COc1ccc(NC(C)=O)cc1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000598028274 1073410818 /nfs/dbraw/zinc/41/08/18/1073410818.db2.gz SKGJKOUWTTZDDQ-UHFFFAOYSA-N 1 2 412.512 0.485 20 0 HCADLO CC(=O)N1CCCc2cc(S(=O)(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)ccc21 ZINC000598028564 1073413283 /nfs/dbraw/zinc/41/32/83/1073413283.db2.gz YISLVCFQMMGWLR-UHFFFAOYSA-N 1 2 422.551 0.817 20 0 HCADLO CC(=O)N1c2ccc(S(=O)(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cc2C[C@@H]1C ZINC000598031657 1073411587 /nfs/dbraw/zinc/41/15/87/1073411587.db2.gz AIASEDZUFPCFHV-AWEZNQCLSA-N 1 2 422.551 0.815 20 0 HCADLO CC(=O)N1c2ccc(S(=O)(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cc2C[C@H]1C ZINC000598031658 1073411840 /nfs/dbraw/zinc/41/18/40/1073411840.db2.gz AIASEDZUFPCFHV-CQSZACIVSA-N 1 2 422.551 0.815 20 0 HCADLO CC(=O)NCCc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000598031722 1073411807 /nfs/dbraw/zinc/41/18/07/1073411807.db2.gz IESUUFAOJZIUGP-UHFFFAOYSA-N 1 2 410.540 0.196 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c(F)c1 ZINC000598031740 1073411658 /nfs/dbraw/zinc/41/16/58/1073411658.db2.gz LCUWLIKMZPHMNW-UHFFFAOYSA-N 1 2 400.476 0.615 20 0 HCADLO CC(=O)NCCc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)s1 ZINC000598031747 1073411638 /nfs/dbraw/zinc/41/16/38/1073411638.db2.gz LZWMEVHKMXVFMZ-UHFFFAOYSA-N 1 2 416.569 0.258 20 0 HCADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 ZINC000598031943 1073411754 /nfs/dbraw/zinc/41/17/54/1073411754.db2.gz RCBHVYICKCQXDL-UHFFFAOYSA-N 1 2 408.524 0.410 20 0 HCADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)s1 ZINC000598031953 1073411703 /nfs/dbraw/zinc/41/17/03/1073411703.db2.gz SSGULHPODJWIHQ-GFCCVEGCSA-N 1 2 416.569 0.776 20 0 HCADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)s1 ZINC000598031954 1073411718 /nfs/dbraw/zinc/41/17/18/1073411718.db2.gz SSGULHPODJWIHQ-LBPRGKRZSA-N 1 2 416.569 0.776 20 0 HCADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000598031958 1073411455 /nfs/dbraw/zinc/41/14/55/1073411455.db2.gz UADOIVQQHISOCJ-UHFFFAOYSA-N 1 2 408.524 0.644 20 0 HCADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000598032005 1073411863 /nfs/dbraw/zinc/41/18/63/1073411863.db2.gz YTIUFXWWNAIGIP-UHFFFAOYSA-N 1 2 412.487 0.541 20 0 HCADLO COc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1NC(C)=O ZINC000598032052 1073411625 /nfs/dbraw/zinc/41/16/25/1073411625.db2.gz YYQCIKLREMASFZ-UHFFFAOYSA-N 1 2 412.512 0.485 20 0 HCADLO CN(Cc1cccnc1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000598064676 1073414798 /nfs/dbraw/zinc/41/47/98/1073414798.db2.gz ZCQKVCYRFDEJDT-UHFFFAOYSA-N 1 2 418.523 0.770 20 0 HCADLO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000598070866 1073414166 /nfs/dbraw/zinc/41/41/66/1073414166.db2.gz WHHXUVIRKHTYBQ-KRWDZBQOSA-N 1 2 420.601 0.213 20 0 HCADLO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000598070869 1073413844 /nfs/dbraw/zinc/41/38/44/1073413844.db2.gz WHHXUVIRKHTYBQ-QGZVFWFLSA-N 1 2 420.601 0.213 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000598152873 1073431176 /nfs/dbraw/zinc/43/11/76/1073431176.db2.gz DTSCOPIFPSZREV-UHFFFAOYSA-N 1 2 411.528 0.524 20 0 HCADLO CN(C)C(=O)CN1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000598229796 1073433841 /nfs/dbraw/zinc/43/38/41/1073433841.db2.gz ASAWFSSLNCUGBC-UHFFFAOYSA-N 1 2 409.575 0.873 20 0 HCADLO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000598229809 1073433675 /nfs/dbraw/zinc/43/36/75/1073433675.db2.gz BPAGIXBWIJZKTF-IBGZPJMESA-N 1 2 424.567 0.906 20 0 HCADLO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000598229809 1073433663 /nfs/dbraw/zinc/43/36/63/1073433663.db2.gz BPAGIXBWIJZKTF-IBGZPJMESA-N 1 2 424.567 0.906 20 0 HCADLO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000598229810 1073433719 /nfs/dbraw/zinc/43/37/19/1073433719.db2.gz BPAGIXBWIJZKTF-LJQANCHMSA-N 1 2 424.567 0.906 20 0 HCADLO O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000598229810 1073433713 /nfs/dbraw/zinc/43/37/13/1073433713.db2.gz BPAGIXBWIJZKTF-LJQANCHMSA-N 1 2 424.567 0.906 20 0 HCADLO CCC(CC)[C@H](CNC(=O)NC1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000598244074 1073437087 /nfs/dbraw/zinc/43/70/87/1073437087.db2.gz DDKJKEWJHPZYGH-IBGZPJMESA-N 1 2 411.591 0.975 20 0 HCADLO CCC(CC)[C@@H](CNC(=O)NC1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000598244075 1073437215 /nfs/dbraw/zinc/43/72/15/1073437215.db2.gz DDKJKEWJHPZYGH-LJQANCHMSA-N 1 2 411.591 0.975 20 0 HCADLO CN(C)C(=O)CN1CCC(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000598266892 1073439023 /nfs/dbraw/zinc/43/90/23/1073439023.db2.gz BQLWOUROUJXCDZ-UHFFFAOYSA-N 1 2 417.558 0.185 20 0 HCADLO O=C(NCCOC[C@H]1CCOC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000598269557 1073440332 /nfs/dbraw/zinc/44/03/32/1073440332.db2.gz INUAQQXAVCUHQH-KRWDZBQOSA-N 1 2 405.499 0.473 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000598269558 1073439976 /nfs/dbraw/zinc/43/99/76/1073439976.db2.gz INUAQQXAVCUHQH-QGZVFWFLSA-N 1 2 405.499 0.473 20 0 HCADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000598323806 1073450092 /nfs/dbraw/zinc/45/00/92/1073450092.db2.gz LVGWSQIZZWFXGT-LMMKCTJWSA-N 1 2 409.575 0.822 20 0 HCADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000598323807 1073450446 /nfs/dbraw/zinc/45/04/46/1073450446.db2.gz LVGWSQIZZWFXGT-SCTDSRPQSA-N 1 2 409.575 0.822 20 0 HCADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000598323807 1073450425 /nfs/dbraw/zinc/45/04/25/1073450425.db2.gz LVGWSQIZZWFXGT-SCTDSRPQSA-N 1 2 409.575 0.822 20 0 HCADLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000598323808 1073449928 /nfs/dbraw/zinc/44/99/28/1073449928.db2.gz LVGWSQIZZWFXGT-ZHALLVOQSA-N 1 2 409.575 0.822 20 0 HCADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000598323809 1073450246 /nfs/dbraw/zinc/45/02/46/1073450246.db2.gz LVGWSQIZZWFXGT-ZIFCJYIRSA-N 1 2 409.575 0.822 20 0 HCADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000598323809 1073450237 /nfs/dbraw/zinc/45/02/37/1073450237.db2.gz LVGWSQIZZWFXGT-ZIFCJYIRSA-N 1 2 409.575 0.822 20 0 HCADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000598328435 1073451844 /nfs/dbraw/zinc/45/18/44/1073451844.db2.gz KEIBWUIVDILOOE-UHFFFAOYSA-N 1 2 421.454 0.927 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCOC[C@@H]3CCOC3)c2)CC1 ZINC000598365048 1073455633 /nfs/dbraw/zinc/45/56/33/1073455633.db2.gz DTOLLBIVHBXQLI-GOSISDBHSA-N 1 2 404.511 0.542 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCOC[C@H]3CCOC3)c2)CC1 ZINC000598365051 1073455573 /nfs/dbraw/zinc/45/55/73/1073455573.db2.gz DTOLLBIVHBXQLI-SFHVURJKSA-N 1 2 404.511 0.542 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000598365558 1073454869 /nfs/dbraw/zinc/45/48/69/1073454869.db2.gz KZCJFNUQGNDEJC-INIZCTEOSA-N 1 2 418.494 0.182 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000598365559 1073454625 /nfs/dbraw/zinc/45/46/25/1073454625.db2.gz KZCJFNUQGNDEJC-MRXNPFEDSA-N 1 2 418.494 0.182 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCOC[C@H]3CCOC3)cc2)CC1 ZINC000598365658 1073454788 /nfs/dbraw/zinc/45/47/88/1073454788.db2.gz NYGZAZMLDQZNDX-IBGZPJMESA-N 1 2 418.538 0.932 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCOC[C@@H]3CCOC3)cc2)CC1 ZINC000598365659 1073454370 /nfs/dbraw/zinc/45/43/70/1073454370.db2.gz NYGZAZMLDQZNDX-LJQANCHMSA-N 1 2 418.538 0.932 20 0 HCADLO CN1CC[NH+](C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CCO2)CC1 ZINC000599032104 1073527042 /nfs/dbraw/zinc/52/70/42/1073527042.db2.gz DWNYKOYTCVYGCX-IRXDYDNUSA-N 1 2 406.552 0.828 20 0 HCADLO CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CCO2)CC1 ZINC000599032105 1073527329 /nfs/dbraw/zinc/52/73/29/1073527329.db2.gz DWNYKOYTCVYGCX-SJORKVTESA-N 1 2 406.552 0.828 20 0 HCADLO CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000599036946 1073536917 /nfs/dbraw/zinc/53/69/17/1073536917.db2.gz ODYFPKKJPVDSEC-IFMALSPDSA-N 1 2 416.566 0.845 20 0 HCADLO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000599036947 1073537111 /nfs/dbraw/zinc/53/71/11/1073537111.db2.gz ODYFPKKJPVDSEC-IRLDBZIGSA-N 1 2 416.566 0.845 20 0 HCADLO CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000599036948 1073536994 /nfs/dbraw/zinc/53/69/94/1073536994.db2.gz ODYFPKKJPVDSEC-RBBKRZOGSA-N 1 2 416.566 0.845 20 0 HCADLO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000599036949 1073537261 /nfs/dbraw/zinc/53/72/61/1073537261.db2.gz ODYFPKKJPVDSEC-UNMCSNQZSA-N 1 2 416.566 0.845 20 0 HCADLO C[C@@H](c1nc(N)nc(N(C)C)n1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000599120652 1073564851 /nfs/dbraw/zinc/56/48/51/1073564851.db2.gz AYTUYVRNBGPOPO-DZGCQCFKSA-N 1 2 410.486 0.689 20 0 HCADLO C[C@@H](c1nc(N)nc(N(C)C)n1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000599120652 1073564845 /nfs/dbraw/zinc/56/48/45/1073564845.db2.gz AYTUYVRNBGPOPO-DZGCQCFKSA-N 1 2 410.486 0.689 20 0 HCADLO C[C@H](c1nc(N)nc(N(C)C)n1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000599120653 1073565229 /nfs/dbraw/zinc/56/52/29/1073565229.db2.gz AYTUYVRNBGPOPO-HIFRSBDPSA-N 1 2 410.486 0.689 20 0 HCADLO C[C@H](c1nc(N)nc(N(C)C)n1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000599120653 1073565218 /nfs/dbraw/zinc/56/52/18/1073565218.db2.gz AYTUYVRNBGPOPO-HIFRSBDPSA-N 1 2 410.486 0.689 20 0 HCADLO C[C@H](c1nc(N)nc(N(C)C)n1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000599120654 1073565190 /nfs/dbraw/zinc/56/51/90/1073565190.db2.gz AYTUYVRNBGPOPO-UKRRQHHQSA-N 1 2 410.486 0.689 20 0 HCADLO C[C@H](c1nc(N)nc(N(C)C)n1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000599120654 1073565179 /nfs/dbraw/zinc/56/51/79/1073565179.db2.gz AYTUYVRNBGPOPO-UKRRQHHQSA-N 1 2 410.486 0.689 20 0 HCADLO O=c1n2ccccc2nn1CCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000599121878 1073558816 /nfs/dbraw/zinc/55/88/16/1073558816.db2.gz NCABOYZDNPBNNG-KRWDZBQOSA-N 1 2 406.450 0.756 20 0 HCADLO O=c1n2ccccc2nn1CCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000599121878 1073558799 /nfs/dbraw/zinc/55/87/99/1073558799.db2.gz NCABOYZDNPBNNG-KRWDZBQOSA-N 1 2 406.450 0.756 20 0 HCADLO O=c1n2ccccc2nn1CCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000599121879 1073559126 /nfs/dbraw/zinc/55/91/26/1073559126.db2.gz NCABOYZDNPBNNG-QGZVFWFLSA-N 1 2 406.450 0.756 20 0 HCADLO O=c1n2ccccc2nn1CCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000599121879 1073559108 /nfs/dbraw/zinc/55/91/08/1073559108.db2.gz NCABOYZDNPBNNG-QGZVFWFLSA-N 1 2 406.450 0.756 20 0 HCADLO Cn1c(=O)c2ccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)nc2n(C)c1=O ZINC000599135345 1073568576 /nfs/dbraw/zinc/56/85/76/1073568576.db2.gz MZVWCYSQMWQTDO-UHFFFAOYSA-N 1 2 409.446 0.717 20 0 HCADLO Cc1nc(C2(NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CCCC2)no1 ZINC000599146216 1073565580 /nfs/dbraw/zinc/56/55/80/1073565580.db2.gz JJICVFXLPJGRGF-INIZCTEOSA-N 1 2 405.499 0.977 20 0 HCADLO Cc1nc(C2(NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CCCC2)no1 ZINC000599146218 1073565796 /nfs/dbraw/zinc/56/57/96/1073565796.db2.gz JJICVFXLPJGRGF-MRXNPFEDSA-N 1 2 405.499 0.977 20 0 HCADLO CCOc1ccc(C[NH+]2CCN(C(=O)CCC(=O)NCCNC(C)=O)CC2)cc1 ZINC000599297389 1073598005 /nfs/dbraw/zinc/59/80/05/1073598005.db2.gz MDFJBGJVNQLUTA-UHFFFAOYSA-N 1 2 404.511 0.762 20 0 HCADLO CCNC(=O)CN1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000599308394 1073595708 /nfs/dbraw/zinc/59/57/08/1073595708.db2.gz LBPYWOKDKZATPN-KRWDZBQOSA-N 1 2 405.518 0.617 20 0 HCADLO CCNC(=O)CN1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000599308395 1073595210 /nfs/dbraw/zinc/59/52/10/1073595210.db2.gz LBPYWOKDKZATPN-QGZVFWFLSA-N 1 2 405.518 0.617 20 0 HCADLO C[C@@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000599310430 1073596414 /nfs/dbraw/zinc/59/64/14/1073596414.db2.gz XJJAKOFDGXJNKX-DOTOQJQBSA-N 1 2 412.531 0.876 20 0 HCADLO C[C@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000599310431 1073596192 /nfs/dbraw/zinc/59/61/92/1073596192.db2.gz XJJAKOFDGXJNKX-NVXWUHKLSA-N 1 2 412.531 0.876 20 0 HCADLO C[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000599310432 1073596351 /nfs/dbraw/zinc/59/63/51/1073596351.db2.gz XJJAKOFDGXJNKX-RDJZCZTQSA-N 1 2 412.531 0.876 20 0 HCADLO C[C@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000599310433 1073596533 /nfs/dbraw/zinc/59/65/33/1073596533.db2.gz XJJAKOFDGXJNKX-WBVHZDCISA-N 1 2 412.531 0.876 20 0 HCADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000599332811 1073605923 /nfs/dbraw/zinc/60/59/23/1073605923.db2.gz MQMFQISLMVSRNS-GOSISDBHSA-N 1 2 424.567 0.002 20 0 HCADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000599332811 1073605907 /nfs/dbraw/zinc/60/59/07/1073605907.db2.gz MQMFQISLMVSRNS-GOSISDBHSA-N 1 2 424.567 0.002 20 0 HCADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000599332812 1073606078 /nfs/dbraw/zinc/60/60/78/1073606078.db2.gz MQMFQISLMVSRNS-SFHVURJKSA-N 1 2 424.567 0.002 20 0 HCADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000599332812 1073606060 /nfs/dbraw/zinc/60/60/60/1073606060.db2.gz MQMFQISLMVSRNS-SFHVURJKSA-N 1 2 424.567 0.002 20 0 HCADLO O=c1[nH]c(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc2ccccc21 ZINC000599434587 1073631498 /nfs/dbraw/zinc/63/14/98/1073631498.db2.gz VLERCJRGHMMINF-UHFFFAOYSA-N 1 2 414.491 1.294 20 0 HCADLO COCCS(=O)(=O)NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000599447575 1073629940 /nfs/dbraw/zinc/62/99/40/1073629940.db2.gz NDYNAKWVPMVXFC-KRWDZBQOSA-N 1 2 409.508 0.344 20 0 HCADLO COCCS(=O)(=O)NC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000599447576 1073630026 /nfs/dbraw/zinc/63/00/26/1073630026.db2.gz NDYNAKWVPMVXFC-QGZVFWFLSA-N 1 2 409.508 0.344 20 0 HCADLO Cc1cc(NC(=O)CN2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC2)no1 ZINC000599452098 1073630865 /nfs/dbraw/zinc/63/08/65/1073630865.db2.gz WEKTXMZWQNRVOE-INIZCTEOSA-N 1 2 415.498 0.742 20 0 HCADLO Cc1cc(NC(=O)CN2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC2)no1 ZINC000599452099 1073630735 /nfs/dbraw/zinc/63/07/35/1073630735.db2.gz WEKTXMZWQNRVOE-MRXNPFEDSA-N 1 2 415.498 0.742 20 0 HCADLO O=S(=O)(c1cccnc1)N1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000599457100 1073632579 /nfs/dbraw/zinc/63/25/79/1073632579.db2.gz NIDWBYGREKCNPG-INIZCTEOSA-N 1 2 418.523 0.591 20 0 HCADLO O=S(=O)(c1cccnc1)N1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000599457100 1073632576 /nfs/dbraw/zinc/63/25/76/1073632576.db2.gz NIDWBYGREKCNPG-INIZCTEOSA-N 1 2 418.523 0.591 20 0 HCADLO O=S(=O)(c1cccnc1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000599457106 1073632422 /nfs/dbraw/zinc/63/24/22/1073632422.db2.gz NIDWBYGREKCNPG-MRXNPFEDSA-N 1 2 418.523 0.591 20 0 HCADLO O=S(=O)(c1cccnc1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000599457106 1073632413 /nfs/dbraw/zinc/63/24/13/1073632413.db2.gz NIDWBYGREKCNPG-MRXNPFEDSA-N 1 2 418.523 0.591 20 0 HCADLO O=S(=O)(c1cccnc1)N1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000599457350 1073632072 /nfs/dbraw/zinc/63/20/72/1073632072.db2.gz XFTVVMFXSMUECM-HNNXBMFYSA-N 1 2 404.496 0.344 20 0 HCADLO O=S(=O)(c1cccnc1)N1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000599457350 1073632050 /nfs/dbraw/zinc/63/20/50/1073632050.db2.gz XFTVVMFXSMUECM-HNNXBMFYSA-N 1 2 404.496 0.344 20 0 HCADLO O=S(=O)(c1cccnc1)N1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000599457351 1073632545 /nfs/dbraw/zinc/63/25/45/1073632545.db2.gz XFTVVMFXSMUECM-OAHLLOKOSA-N 1 2 404.496 0.344 20 0 HCADLO O=S(=O)(c1cccnc1)N1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000599457351 1073632539 /nfs/dbraw/zinc/63/25/39/1073632539.db2.gz XFTVVMFXSMUECM-OAHLLOKOSA-N 1 2 404.496 0.344 20 0 HCADLO Cn1cnc2c1ncnc2NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000599498902 1073641343 /nfs/dbraw/zinc/64/13/43/1073641343.db2.gz SRZNEZZNQZJCFK-UHFFFAOYSA-N 1 2 402.484 0.322 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn2ccccc12 ZINC000599507118 1073642320 /nfs/dbraw/zinc/64/23/20/1073642320.db2.gz LZILXLSHFNGVLM-UHFFFAOYSA-N 1 2 414.491 0.611 20 0 HCADLO O=C(c1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1)N1CCNC(=O)C1 ZINC000599517743 1073645033 /nfs/dbraw/zinc/64/50/33/1073645033.db2.gz YVWOSPKBQXGLOM-KRWDZBQOSA-N 1 2 424.505 0.869 20 0 HCADLO O=C(c1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1)N1CCNC(=O)C1 ZINC000599517743 1073645014 /nfs/dbraw/zinc/64/50/14/1073645014.db2.gz YVWOSPKBQXGLOM-KRWDZBQOSA-N 1 2 424.505 0.869 20 0 HCADLO O=C(c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1)N1CCNC(=O)C1 ZINC000599517744 1073645045 /nfs/dbraw/zinc/64/50/45/1073645045.db2.gz YVWOSPKBQXGLOM-QGZVFWFLSA-N 1 2 424.505 0.869 20 0 HCADLO O=C(c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1)N1CCNC(=O)C1 ZINC000599517744 1073645042 /nfs/dbraw/zinc/64/50/42/1073645042.db2.gz YVWOSPKBQXGLOM-QGZVFWFLSA-N 1 2 424.505 0.869 20 0 HCADLO NC(=O)c1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)nn1-c1ccccc1 ZINC000599572167 1073653078 /nfs/dbraw/zinc/65/30/78/1073653078.db2.gz JNGQUPAGFZGXQD-UHFFFAOYSA-N 1 2 409.450 0.752 20 0 HCADLO CN(c1ccc(CNc2nc(NCCO)c3ccccc3[nH+]2)cc1)S(C)(=O)=O ZINC000599952705 1073742813 /nfs/dbraw/zinc/74/28/13/1073742813.db2.gz CRLWMHKZTTWKIX-UHFFFAOYSA-N 1 2 401.492 0.886 20 0 HCADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1 ZINC000602321315 1073398704 /nfs/dbraw/zinc/39/87/04/1073398704.db2.gz DMRUOMAEMHYDLK-KRWDZBQOSA-N 1 2 422.551 0.532 20 0 HCADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1 ZINC000602321316 1073398515 /nfs/dbraw/zinc/39/85/15/1073398515.db2.gz DMRUOMAEMHYDLK-QGZVFWFLSA-N 1 2 422.551 0.532 20 0 HCADLO CC[C@@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000602322100 1073398862 /nfs/dbraw/zinc/39/88/62/1073398862.db2.gz JEXBXHSZEQFUKU-IBGZPJMESA-N 1 2 408.568 0.892 20 0 HCADLO CC[C@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000602322101 1073398399 /nfs/dbraw/zinc/39/83/99/1073398399.db2.gz JEXBXHSZEQFUKU-LJQANCHMSA-N 1 2 408.568 0.892 20 0 HCADLO CC(C)CN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602338872 1073402605 /nfs/dbraw/zinc/40/26/05/1073402605.db2.gz WRXRNSLHSVAMRG-KSZLIROESA-N 1 2 401.573 0.189 20 0 HCADLO CC(C)CN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602338890 1073403057 /nfs/dbraw/zinc/40/30/57/1073403057.db2.gz WRXRNSLHSVAMRG-KURKYZTESA-N 1 2 401.573 0.189 20 0 HCADLO CC(C)CN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602338892 1073402295 /nfs/dbraw/zinc/40/22/95/1073402295.db2.gz WRXRNSLHSVAMRG-KZNAEPCWSA-N 1 2 401.573 0.189 20 0 HCADLO CC(C)CN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602338894 1073403853 /nfs/dbraw/zinc/40/38/53/1073403853.db2.gz WRXRNSLHSVAMRG-RCCFBDPRSA-N 1 2 401.573 0.189 20 0 HCADLO CCCCN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602345621 1073399387 /nfs/dbraw/zinc/39/93/87/1073399387.db2.gz ISDHZJBYAUZOKO-KSZLIROESA-N 1 2 401.573 0.333 20 0 HCADLO CCCCN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602345628 1073399196 /nfs/dbraw/zinc/39/91/96/1073399196.db2.gz ISDHZJBYAUZOKO-KURKYZTESA-N 1 2 401.573 0.333 20 0 HCADLO CCCCN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602345631 1073399251 /nfs/dbraw/zinc/39/92/51/1073399251.db2.gz ISDHZJBYAUZOKO-KZNAEPCWSA-N 1 2 401.573 0.333 20 0 HCADLO CCCCN(C(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602345633 1073399584 /nfs/dbraw/zinc/39/95/84/1073399584.db2.gz ISDHZJBYAUZOKO-RCCFBDPRSA-N 1 2 401.573 0.333 20 0 HCADLO CCCN(C(=O)[C@H](C)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602346772 1073400383 /nfs/dbraw/zinc/40/03/83/1073400383.db2.gz MNTDKGUOONOGFK-BSDSXHPESA-N 1 2 401.573 0.332 20 0 HCADLO CCCN(C(=O)[C@H](C)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602346774 1073399976 /nfs/dbraw/zinc/39/99/76/1073399976.db2.gz MNTDKGUOONOGFK-FJIDUMEYSA-N 1 2 401.573 0.332 20 0 HCADLO CCCN(C(=O)[C@H](C)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602346775 1073400461 /nfs/dbraw/zinc/40/04/61/1073400461.db2.gz MNTDKGUOONOGFK-MLHJIOFPSA-N 1 2 401.573 0.332 20 0 HCADLO CCCN(C(=O)[C@H](C)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602346776 1073400562 /nfs/dbraw/zinc/40/05/62/1073400562.db2.gz MNTDKGUOONOGFK-WNRNVDISSA-N 1 2 401.573 0.332 20 0 HCADLO COCC1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000602474189 1073415491 /nfs/dbraw/zinc/41/54/91/1073415491.db2.gz DIIVULPUNWUOGB-UHFFFAOYSA-N 1 2 402.495 0.898 20 0 HCADLO O=C(CCn1ccccc1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602506136 1073428108 /nfs/dbraw/zinc/42/81/08/1073428108.db2.gz CLHYFVGLBKNQMF-KRWDZBQOSA-N 1 2 412.494 0.650 20 0 HCADLO O=C(CCn1ccccc1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602506136 1073428099 /nfs/dbraw/zinc/42/80/99/1073428099.db2.gz CLHYFVGLBKNQMF-KRWDZBQOSA-N 1 2 412.494 0.650 20 0 HCADLO O=C(CCn1ccccc1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602506141 1073428148 /nfs/dbraw/zinc/42/81/48/1073428148.db2.gz CLHYFVGLBKNQMF-QGZVFWFLSA-N 1 2 412.494 0.650 20 0 HCADLO O=C(CCn1ccccc1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602506141 1073428131 /nfs/dbraw/zinc/42/81/31/1073428131.db2.gz CLHYFVGLBKNQMF-QGZVFWFLSA-N 1 2 412.494 0.650 20 0 HCADLO O=C(CCN1CCCC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602506189 1073428066 /nfs/dbraw/zinc/42/80/66/1073428066.db2.gz KOEVLKQUTRQBLW-INIZCTEOSA-N 1 2 402.499 0.411 20 0 HCADLO O=C(CCN1CCCC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602506189 1073428058 /nfs/dbraw/zinc/42/80/58/1073428058.db2.gz KOEVLKQUTRQBLW-INIZCTEOSA-N 1 2 402.499 0.411 20 0 HCADLO O=C(CCN1CCCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602506190 1073427979 /nfs/dbraw/zinc/42/79/79/1073427979.db2.gz KOEVLKQUTRQBLW-MRXNPFEDSA-N 1 2 402.499 0.411 20 0 HCADLO O=C(CCN1CCCC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602506190 1073427969 /nfs/dbraw/zinc/42/79/69/1073427969.db2.gz KOEVLKQUTRQBLW-MRXNPFEDSA-N 1 2 402.499 0.411 20 0 HCADLO CNC(=O)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000602513475 1073427915 /nfs/dbraw/zinc/42/79/15/1073427915.db2.gz GZIVHUIAVARENQ-HNNXBMFYSA-N 1 2 402.499 0.315 20 0 HCADLO CNC(=O)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000602513475 1073427909 /nfs/dbraw/zinc/42/79/09/1073427909.db2.gz GZIVHUIAVARENQ-HNNXBMFYSA-N 1 2 402.499 0.315 20 0 HCADLO CNC(=O)C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000602513476 1073429064 /nfs/dbraw/zinc/42/90/64/1073429064.db2.gz GZIVHUIAVARENQ-OAHLLOKOSA-N 1 2 402.499 0.315 20 0 HCADLO CNC(=O)C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000602513476 1073429061 /nfs/dbraw/zinc/42/90/61/1073429061.db2.gz GZIVHUIAVARENQ-OAHLLOKOSA-N 1 2 402.499 0.315 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cn2cccnc2n1 ZINC000602513493 1073427866 /nfs/dbraw/zinc/42/78/66/1073427866.db2.gz JJPDXXRZZJAOLK-HNNXBMFYSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cn2cccnc2n1 ZINC000602513493 1073427860 /nfs/dbraw/zinc/42/78/60/1073427860.db2.gz JJPDXXRZZJAOLK-HNNXBMFYSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cn2cccnc2n1 ZINC000602513494 1073427832 /nfs/dbraw/zinc/42/78/32/1073427832.db2.gz JJPDXXRZZJAOLK-OAHLLOKOSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cn2cccnc2n1 ZINC000602513494 1073427812 /nfs/dbraw/zinc/42/78/12/1073427812.db2.gz JJPDXXRZZJAOLK-OAHLLOKOSA-N 1 2 408.466 0.755 20 0 HCADLO O=C(NC1CC1)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000602513850 1073428743 /nfs/dbraw/zinc/42/87/43/1073428743.db2.gz WBBPCOVWGUYDIB-INIZCTEOSA-N 1 2 414.510 0.457 20 0 HCADLO O=C(NC1CC1)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000602513850 1073428721 /nfs/dbraw/zinc/42/87/21/1073428721.db2.gz WBBPCOVWGUYDIB-INIZCTEOSA-N 1 2 414.510 0.457 20 0 HCADLO O=C(NC1CC1)C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000602513854 1073428939 /nfs/dbraw/zinc/42/89/39/1073428939.db2.gz WBBPCOVWGUYDIB-MRXNPFEDSA-N 1 2 414.510 0.457 20 0 HCADLO O=C(NC1CC1)C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000602513854 1073428931 /nfs/dbraw/zinc/42/89/31/1073428931.db2.gz WBBPCOVWGUYDIB-MRXNPFEDSA-N 1 2 414.510 0.457 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000602513937 1073428896 /nfs/dbraw/zinc/42/88/96/1073428896.db2.gz AXZRNOGPXTXSPD-CVEARBPZSA-N 1 2 414.510 0.409 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000602513937 1073428883 /nfs/dbraw/zinc/42/88/83/1073428883.db2.gz AXZRNOGPXTXSPD-CVEARBPZSA-N 1 2 414.510 0.409 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000602513938 1073429055 /nfs/dbraw/zinc/42/90/55/1073429055.db2.gz AXZRNOGPXTXSPD-HOTGVXAUSA-N 1 2 414.510 0.409 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000602513938 1073429053 /nfs/dbraw/zinc/42/90/53/1073429053.db2.gz AXZRNOGPXTXSPD-HOTGVXAUSA-N 1 2 414.510 0.409 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000602513939 1073428808 /nfs/dbraw/zinc/42/88/08/1073428808.db2.gz AXZRNOGPXTXSPD-HZPDHXFCSA-N 1 2 414.510 0.409 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000602513939 1073428786 /nfs/dbraw/zinc/42/87/86/1073428786.db2.gz AXZRNOGPXTXSPD-HZPDHXFCSA-N 1 2 414.510 0.409 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000602513940 1073428851 /nfs/dbraw/zinc/42/88/51/1073428851.db2.gz AXZRNOGPXTXSPD-JKSUJKDBSA-N 1 2 414.510 0.409 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000602513940 1073428837 /nfs/dbraw/zinc/42/88/37/1073428837.db2.gz AXZRNOGPXTXSPD-JKSUJKDBSA-N 1 2 414.510 0.409 20 0 HCADLO CCn1nc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ccc1=O ZINC000602513961 1073428980 /nfs/dbraw/zinc/42/89/80/1073428980.db2.gz HUFMHNXVDHDZNL-HNNXBMFYSA-N 1 2 413.482 0.289 20 0 HCADLO CCn1nc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ccc1=O ZINC000602513961 1073428971 /nfs/dbraw/zinc/42/89/71/1073428971.db2.gz HUFMHNXVDHDZNL-HNNXBMFYSA-N 1 2 413.482 0.289 20 0 HCADLO CCn1nc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ccc1=O ZINC000602513962 1073428681 /nfs/dbraw/zinc/42/86/81/1073428681.db2.gz HUFMHNXVDHDZNL-OAHLLOKOSA-N 1 2 413.482 0.289 20 0 HCADLO CCn1nc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ccc1=O ZINC000602513962 1073428666 /nfs/dbraw/zinc/42/86/66/1073428666.db2.gz HUFMHNXVDHDZNL-OAHLLOKOSA-N 1 2 413.482 0.289 20 0 HCADLO c1ncn(-c2cncc(N[C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)n2)n1 ZINC000602514385 1073428626 /nfs/dbraw/zinc/42/86/26/1073428626.db2.gz HMRULDAXBVOQLD-HNNXBMFYSA-N 1 2 408.470 0.765 20 0 HCADLO c1ncn(-c2cncc(N[C@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)n2)n1 ZINC000602514385 1073428611 /nfs/dbraw/zinc/42/86/11/1073428611.db2.gz HMRULDAXBVOQLD-HNNXBMFYSA-N 1 2 408.470 0.765 20 0 HCADLO c1ncn(-c2cncc(N[C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)n2)n1 ZINC000602514386 1073429006 /nfs/dbraw/zinc/42/90/06/1073429006.db2.gz HMRULDAXBVOQLD-OAHLLOKOSA-N 1 2 408.470 0.765 20 0 HCADLO c1ncn(-c2cncc(N[C@@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)n2)n1 ZINC000602514386 1073429001 /nfs/dbraw/zinc/42/90/01/1073429001.db2.gz HMRULDAXBVOQLD-OAHLLOKOSA-N 1 2 408.470 0.765 20 0 HCADLO C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602514537 1073429023 /nfs/dbraw/zinc/42/90/23/1073429023.db2.gz LBCXJGZTBLQIAZ-DOTOQJQBSA-N 1 2 424.571 0.847 20 0 HCADLO C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602514537 1073429016 /nfs/dbraw/zinc/42/90/16/1073429016.db2.gz LBCXJGZTBLQIAZ-DOTOQJQBSA-N 1 2 424.571 0.847 20 0 HCADLO C[C@H](C1CC1)N(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602514540 1073429046 /nfs/dbraw/zinc/42/90/46/1073429046.db2.gz LBCXJGZTBLQIAZ-NVXWUHKLSA-N 1 2 424.571 0.847 20 0 HCADLO C[C@H](C1CC1)N(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602514540 1073429038 /nfs/dbraw/zinc/42/90/38/1073429038.db2.gz LBCXJGZTBLQIAZ-NVXWUHKLSA-N 1 2 424.571 0.847 20 0 HCADLO C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602514543 1073429081 /nfs/dbraw/zinc/42/90/81/1073429081.db2.gz LBCXJGZTBLQIAZ-RDJZCZTQSA-N 1 2 424.571 0.847 20 0 HCADLO C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602514543 1073429077 /nfs/dbraw/zinc/42/90/77/1073429077.db2.gz LBCXJGZTBLQIAZ-RDJZCZTQSA-N 1 2 424.571 0.847 20 0 HCADLO C[C@H](C1CC1)N(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602514546 1073428469 /nfs/dbraw/zinc/42/84/69/1073428469.db2.gz LBCXJGZTBLQIAZ-WBVHZDCISA-N 1 2 424.571 0.847 20 0 HCADLO C[C@H](C1CC1)N(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602514546 1073428448 /nfs/dbraw/zinc/42/84/48/1073428448.db2.gz LBCXJGZTBLQIAZ-WBVHZDCISA-N 1 2 424.571 0.847 20 0 HCADLO O=C(NCCCn1cncn1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602515278 1073423552 /nfs/dbraw/zinc/42/35/52/1073423552.db2.gz KAEGTBUZPOJHHZ-INIZCTEOSA-N 1 2 415.502 0.263 20 0 HCADLO O=C(NCCCn1cncn1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602515278 1073423538 /nfs/dbraw/zinc/42/35/38/1073423538.db2.gz KAEGTBUZPOJHHZ-INIZCTEOSA-N 1 2 415.502 0.263 20 0 HCADLO O=C(NCCCn1cncn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602515279 1073423956 /nfs/dbraw/zinc/42/39/56/1073423956.db2.gz KAEGTBUZPOJHHZ-MRXNPFEDSA-N 1 2 415.502 0.263 20 0 HCADLO O=C(NCCCn1cncn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602515279 1073423949 /nfs/dbraw/zinc/42/39/49/1073423949.db2.gz KAEGTBUZPOJHHZ-MRXNPFEDSA-N 1 2 415.502 0.263 20 0 HCADLO COCCN(CCOC)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602518604 1073425532 /nfs/dbraw/zinc/42/55/32/1073425532.db2.gz HFMKWUPJDKICRY-KRWDZBQOSA-N 1 2 422.530 0.586 20 0 HCADLO COCCN(CCOC)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602518604 1073425528 /nfs/dbraw/zinc/42/55/28/1073425528.db2.gz HFMKWUPJDKICRY-KRWDZBQOSA-N 1 2 422.530 0.586 20 0 HCADLO COCCN(CCOC)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602518606 1073425921 /nfs/dbraw/zinc/42/59/21/1073425921.db2.gz HFMKWUPJDKICRY-QGZVFWFLSA-N 1 2 422.530 0.586 20 0 HCADLO COCCN(CCOC)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602518606 1073425884 /nfs/dbraw/zinc/42/58/84/1073425884.db2.gz HFMKWUPJDKICRY-QGZVFWFLSA-N 1 2 422.530 0.586 20 0 HCADLO CN(CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)C1CC1 ZINC000602520328 1073426035 /nfs/dbraw/zinc/42/60/35/1073426035.db2.gz JODBSSGVAMWTMG-INIZCTEOSA-N 1 2 402.499 0.267 20 0 HCADLO CN(CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)C1CC1 ZINC000602520328 1073426002 /nfs/dbraw/zinc/42/60/02/1073426002.db2.gz JODBSSGVAMWTMG-INIZCTEOSA-N 1 2 402.499 0.267 20 0 HCADLO CN(CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)C1CC1 ZINC000602520331 1073425817 /nfs/dbraw/zinc/42/58/17/1073425817.db2.gz JODBSSGVAMWTMG-MRXNPFEDSA-N 1 2 402.499 0.267 20 0 HCADLO CN(CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)C1CC1 ZINC000602520331 1073425788 /nfs/dbraw/zinc/42/57/88/1073425788.db2.gz JODBSSGVAMWTMG-MRXNPFEDSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@H]1CCC[C@@H](OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000602940872 1073475334 /nfs/dbraw/zinc/47/53/34/1073475334.db2.gz KUEMVUFZVOFYCN-DLBZAZTESA-N 1 2 402.561 0.218 20 0 HCADLO C[C@@H]1CCC[C@@H](OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000602940877 1073475187 /nfs/dbraw/zinc/47/51/87/1073475187.db2.gz KUEMVUFZVOFYCN-IAGOWNOFSA-N 1 2 402.561 0.218 20 0 HCADLO C[C@H]1CCC[C@H](OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000602940878 1073475324 /nfs/dbraw/zinc/47/53/24/1073475324.db2.gz KUEMVUFZVOFYCN-IRXDYDNUSA-N 1 2 402.561 0.218 20 0 HCADLO C[C@@H]1CCC[C@H](OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000602940885 1073475319 /nfs/dbraw/zinc/47/53/19/1073475319.db2.gz KUEMVUFZVOFYCN-SJORKVTESA-N 1 2 402.561 0.218 20 0 HCADLO CN1C(=O)C(=O)N(CC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000603047611 1073480606 /nfs/dbraw/zinc/48/06/06/1073480606.db2.gz LHEOFZLKCYUEJU-UHFFFAOYSA-N 1 2 412.368 0.770 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 ZINC000603271003 1073500575 /nfs/dbraw/zinc/50/05/75/1073500575.db2.gz CIUKITYBMUYDAY-UHFFFAOYSA-N 1 2 414.528 0.560 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 ZINC000603271003 1073500556 /nfs/dbraw/zinc/50/05/56/1073500556.db2.gz CIUKITYBMUYDAY-UHFFFAOYSA-N 1 2 414.528 0.560 20 0 HCADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000603271063 1073500326 /nfs/dbraw/zinc/50/03/26/1073500326.db2.gz WGHGJMANKASBLI-UHFFFAOYSA-N 1 2 412.512 0.314 20 0 HCADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000603271063 1073500318 /nfs/dbraw/zinc/50/03/18/1073500318.db2.gz WGHGJMANKASBLI-UHFFFAOYSA-N 1 2 412.512 0.314 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000603297398 1073503567 /nfs/dbraw/zinc/50/35/67/1073503567.db2.gz VQXHQAFVZRQHIP-UHFFFAOYSA-N 1 2 407.496 0.577 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1COc2ccccc21 ZINC000603439583 1073518016 /nfs/dbraw/zinc/51/80/16/1073518016.db2.gz KYPLYRJDPLVZKU-KRWDZBQOSA-N 1 2 416.503 0.826 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1COc2ccccc21 ZINC000603439584 1073517919 /nfs/dbraw/zinc/51/79/19/1073517919.db2.gz KYPLYRJDPLVZKU-QGZVFWFLSA-N 1 2 416.503 0.826 20 0 HCADLO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000603452257 1073518241 /nfs/dbraw/zinc/51/82/41/1073518241.db2.gz XMLXHLOLURZWDH-UHFFFAOYSA-N 1 2 420.491 0.887 20 0 HCADLO O=C(CNc1nc(NCCO)c2ccccc2[nH+]1)N1CCN(c2ccccc2)CC1 ZINC000603493718 1073548133 /nfs/dbraw/zinc/54/81/33/1073548133.db2.gz DBNZYPXFWOKUEW-UHFFFAOYSA-N 1 2 406.490 0.639 20 0 HCADLO Cn1ccnc1CN1CCN(C/C=C\C[NH+]2CCN(Cc3nccn3C)CC2)CC1 ZINC000603496678 1073545965 /nfs/dbraw/zinc/54/59/65/1073545965.db2.gz LBLPCRVZTQQIOY-ARJAWSKDSA-N 1 2 412.586 0.645 20 0 HCADLO Cn1ccnc1CN1CCN(C/C=C/C[NH+]2CCN(Cc3nccn3C)CC2)CC1 ZINC000603496679 1073545818 /nfs/dbraw/zinc/54/58/18/1073545818.db2.gz LBLPCRVZTQQIOY-ONEGZZNKSA-N 1 2 412.586 0.645 20 0 HCADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000603523127 1073553198 /nfs/dbraw/zinc/55/31/98/1073553198.db2.gz LBBIXXQDOZLRBN-GOSISDBHSA-N 1 2 410.540 0.742 20 0 HCADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000603523221 1073553419 /nfs/dbraw/zinc/55/34/19/1073553419.db2.gz LBBIXXQDOZLRBN-SFHVURJKSA-N 1 2 410.540 0.742 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000603547076 1073564281 /nfs/dbraw/zinc/56/42/81/1073564281.db2.gz IFZUDCPWBJASKL-UHFFFAOYSA-N 1 2 418.475 0.998 20 0 HCADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000603550986 1073559706 /nfs/dbraw/zinc/55/97/06/1073559706.db2.gz AOMWHNHARDOBED-CRAIPNDOSA-N 1 2 412.531 0.876 20 0 HCADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000603550987 1073559514 /nfs/dbraw/zinc/55/95/14/1073559514.db2.gz AOMWHNHARDOBED-MAUKXSAKSA-N 1 2 412.531 0.876 20 0 HCADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000603550988 1073559830 /nfs/dbraw/zinc/55/98/30/1073559830.db2.gz AOMWHNHARDOBED-QAPCUYQASA-N 1 2 412.531 0.876 20 0 HCADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000603550989 1073559632 /nfs/dbraw/zinc/55/96/32/1073559632.db2.gz AOMWHNHARDOBED-YJBOKZPZSA-N 1 2 412.531 0.876 20 0 HCADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000603553059 1073560205 /nfs/dbraw/zinc/56/02/05/1073560205.db2.gz QCFHPQKRTAPASJ-KRWDZBQOSA-N 1 2 406.458 0.228 20 0 HCADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000603553059 1073560181 /nfs/dbraw/zinc/56/01/81/1073560181.db2.gz QCFHPQKRTAPASJ-KRWDZBQOSA-N 1 2 406.458 0.228 20 0 HCADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000603553060 1073560705 /nfs/dbraw/zinc/56/07/05/1073560705.db2.gz QCFHPQKRTAPASJ-QGZVFWFLSA-N 1 2 406.458 0.228 20 0 HCADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000603553060 1073560691 /nfs/dbraw/zinc/56/06/91/1073560691.db2.gz QCFHPQKRTAPASJ-QGZVFWFLSA-N 1 2 406.458 0.228 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000603582561 1073572476 /nfs/dbraw/zinc/57/24/76/1073572476.db2.gz FOJDXDSHXBEWMP-GOSISDBHSA-N 1 2 424.567 0.918 20 0 HCADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000603582562 1073572555 /nfs/dbraw/zinc/57/25/55/1073572555.db2.gz FOJDXDSHXBEWMP-SFHVURJKSA-N 1 2 424.567 0.918 20 0 HCADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000603582907 1073573426 /nfs/dbraw/zinc/57/34/26/1073573426.db2.gz FBQSPGQKNMVSSK-DLBZAZTESA-N 1 2 405.561 0.843 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000603582908 1073573241 /nfs/dbraw/zinc/57/32/41/1073573241.db2.gz FBQSPGQKNMVSSK-IAGOWNOFSA-N 1 2 405.561 0.843 20 0 HCADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000603582909 1073573326 /nfs/dbraw/zinc/57/33/26/1073573326.db2.gz FBQSPGQKNMVSSK-IRXDYDNUSA-N 1 2 405.561 0.843 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000603582910 1073573344 /nfs/dbraw/zinc/57/33/44/1073573344.db2.gz FBQSPGQKNMVSSK-SJORKVTESA-N 1 2 405.561 0.843 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2cc3c([nH]c2=O)CCC3)CC1 ZINC000603607613 1073577158 /nfs/dbraw/zinc/57/71/58/1073577158.db2.gz HFJXIGZQEJXCQR-UHFFFAOYSA-N 1 2 408.466 0.984 20 0 HCADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCn2cc[nH+]c2)o1 ZINC000603616499 1073584582 /nfs/dbraw/zinc/58/45/82/1073584582.db2.gz LWDXDTKGUOMEEP-CYBMUJFWSA-N 1 2 410.452 0.622 20 0 HCADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCn2cc[nH+]c2)o1 ZINC000603616500 1073584513 /nfs/dbraw/zinc/58/45/13/1073584513.db2.gz LWDXDTKGUOMEEP-ZDUSSCGKSA-N 1 2 410.452 0.622 20 0 HCADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cc[nH+]c3)CC2)o1 ZINC000603616502 1073584633 /nfs/dbraw/zinc/58/46/33/1073584633.db2.gz MHNQBXQMNKXQPW-UHFFFAOYSA-N 1 2 424.479 0.870 20 0 HCADLO CS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000603617592 1073585048 /nfs/dbraw/zinc/58/50/48/1073585048.db2.gz DCZPDTSMZXTYIB-UHFFFAOYSA-N 1 2 405.480 0.599 20 0 HCADLO NS(=O)(=O)Cc1cccc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000603617748 1073585722 /nfs/dbraw/zinc/58/57/22/1073585722.db2.gz RIBPCAUKHSSIQE-UHFFFAOYSA-N 1 2 413.459 0.916 20 0 HCADLO COC[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000603617856 1073580324 /nfs/dbraw/zinc/58/03/24/1073580324.db2.gz GAJOHFQKBFCJFU-INIZCTEOSA-N 1 2 402.495 0.898 20 0 HCADLO COC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000603617857 1073580213 /nfs/dbraw/zinc/58/02/13/1073580213.db2.gz GAJOHFQKBFCJFU-MRXNPFEDSA-N 1 2 402.495 0.898 20 0 HCADLO CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000603621193 1073580856 /nfs/dbraw/zinc/58/08/56/1073580856.db2.gz ROEUOVBDLOSTMV-UHFFFAOYSA-N 1 2 415.494 0.094 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000603631731 1073583880 /nfs/dbraw/zinc/58/38/80/1073583880.db2.gz RHCSIOUAVBFHIT-UHFFFAOYSA-N 1 2 411.524 0.883 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000603662183 1073591123 /nfs/dbraw/zinc/59/11/23/1073591123.db2.gz MOLZGCKOAOXTOT-GOSISDBHSA-N 1 2 408.543 0.418 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000603662183 1073591103 /nfs/dbraw/zinc/59/11/03/1073591103.db2.gz MOLZGCKOAOXTOT-GOSISDBHSA-N 1 2 408.543 0.418 20 0 HCADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000603662184 1073591292 /nfs/dbraw/zinc/59/12/92/1073591292.db2.gz MOLZGCKOAOXTOT-SFHVURJKSA-N 1 2 408.543 0.418 20 0 HCADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000603662184 1073591270 /nfs/dbraw/zinc/59/12/70/1073591270.db2.gz MOLZGCKOAOXTOT-SFHVURJKSA-N 1 2 408.543 0.418 20 0 HCADLO CC(C)OC(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000603708739 1073605033 /nfs/dbraw/zinc/60/50/33/1073605033.db2.gz LRWKNRZFXAXYCY-UHFFFAOYSA-N 1 2 404.467 0.471 20 0 HCADLO CCOC(=O)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000603717968 1073606247 /nfs/dbraw/zinc/60/62/47/1073606247.db2.gz PCROFNGBXXBKQY-UHFFFAOYSA-N 1 2 404.467 0.472 20 0 HCADLO Cc1noc(C)c1[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000603735593 1073615777 /nfs/dbraw/zinc/61/57/77/1073615777.db2.gz HCWSVZMTBQNAJH-CYBMUJFWSA-N 1 2 414.532 0.172 20 0 HCADLO Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000603735594 1073615880 /nfs/dbraw/zinc/61/58/80/1073615880.db2.gz HCWSVZMTBQNAJH-ZDUSSCGKSA-N 1 2 414.532 0.172 20 0 HCADLO CCn1cc(CN(C)C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cn1 ZINC000603779383 1073620472 /nfs/dbraw/zinc/62/04/72/1073620472.db2.gz PZDZNTPVFPYCJM-UHFFFAOYSA-N 1 2 412.494 0.888 20 0 HCADLO COc1ccc(CC(=O)N2CC(n3cc[nH+]c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000603813842 1073633827 /nfs/dbraw/zinc/63/38/27/1073633827.db2.gz RRXNZCKBVIWGJC-UHFFFAOYSA-N 1 2 420.491 0.539 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCCN(CC(=O)N(CC)CC)CC2)C1 ZINC000603846515 1073642402 /nfs/dbraw/zinc/64/24/02/1073642402.db2.gz HIOGTEMQDVZETQ-GOSISDBHSA-N 1 2 410.559 0.664 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCN(CC(=O)N(CC)CC)CC2)C1 ZINC000603846515 1073642390 /nfs/dbraw/zinc/64/23/90/1073642390.db2.gz HIOGTEMQDVZETQ-GOSISDBHSA-N 1 2 410.559 0.664 20 0 HCADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCCN(CC(=O)N(CC)CC)CC1 ZINC000603846722 1073642101 /nfs/dbraw/zinc/64/21/01/1073642101.db2.gz OIPXNLSAMPNRAV-SFHVURJKSA-N 1 2 410.559 0.807 20 0 HCADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCN(CC(=O)N(CC)CC)CC1 ZINC000603846722 1073642091 /nfs/dbraw/zinc/64/20/91/1073642091.db2.gz OIPXNLSAMPNRAV-SFHVURJKSA-N 1 2 410.559 0.807 20 0 HCADLO O=C(C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000603864790 1073647804 /nfs/dbraw/zinc/64/78/04/1073647804.db2.gz HTIQEPBWODSTAB-BZUAXINKSA-N 1 2 406.508 0.068 20 0 HCADLO O=C(C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000603864791 1073647713 /nfs/dbraw/zinc/64/77/13/1073647713.db2.gz HTIQEPBWODSTAB-OAGGEKHMSA-N 1 2 406.508 0.068 20 0 HCADLO O=C(C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000603864792 1073647793 /nfs/dbraw/zinc/64/77/93/1073647793.db2.gz HTIQEPBWODSTAB-OWCLPIDISA-N 1 2 406.508 0.068 20 0 HCADLO O=C(C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000603864792 1073647792 /nfs/dbraw/zinc/64/77/92/1073647792.db2.gz HTIQEPBWODSTAB-OWCLPIDISA-N 1 2 406.508 0.068 20 0 HCADLO O=C(C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000603864793 1073647876 /nfs/dbraw/zinc/64/78/76/1073647876.db2.gz HTIQEPBWODSTAB-XHSDSOJGSA-N 1 2 406.508 0.068 20 0 HCADLO O=C(C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000603864793 1073647865 /nfs/dbraw/zinc/64/78/65/1073647865.db2.gz HTIQEPBWODSTAB-XHSDSOJGSA-N 1 2 406.508 0.068 20 0 HCADLO C[C@H](CNC(=O)CS(=O)(=O)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000603896751 1073652078 /nfs/dbraw/zinc/65/20/78/1073652078.db2.gz IYWCIPQMCWFYQF-CYBMUJFWSA-N 1 2 418.357 0.975 20 0 HCADLO C[C@@H](CNC(=O)CS(=O)(=O)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000603896752 1073652252 /nfs/dbraw/zinc/65/22/52/1073652252.db2.gz IYWCIPQMCWFYQF-ZDUSSCGKSA-N 1 2 418.357 0.975 20 0 HCADLO COc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000603916444 1073665682 /nfs/dbraw/zinc/66/56/82/1073665682.db2.gz GQSCWMPWSJOUKQ-UHFFFAOYSA-N 1 2 406.464 0.610 20 0 HCADLO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000603916779 1073665944 /nfs/dbraw/zinc/66/59/44/1073665944.db2.gz AEOPZXUJFYBWHL-UHFFFAOYSA-N 1 2 422.507 0.864 20 0 HCADLO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000603916960 1073665748 /nfs/dbraw/zinc/66/57/48/1073665748.db2.gz QVWJJFCYKRFIDU-UHFFFAOYSA-N 1 2 404.492 0.920 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000603917347 1073666008 /nfs/dbraw/zinc/66/60/08/1073666008.db2.gz PFYAPYIGHTWHDJ-ZDUSSCGKSA-N 1 2 406.464 0.795 20 0 HCADLO Cc1nc(CN2CCN(C/C=C/C[NH+]3CCN(Cc4noc(C)n4)CC3)CC2)no1 ZINC000603935270 1073668366 /nfs/dbraw/zinc/66/83/66/1073668366.db2.gz AGJYDTYTZMCIDP-ONEGZZNKSA-N 1 2 416.530 0.561 20 0 HCADLO CC(C)c1cc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000603963971 1073670807 /nfs/dbraw/zinc/67/08/07/1073670807.db2.gz GYXHMFLINQDGIH-UHFFFAOYSA-N 1 2 414.532 0.117 20 0 HCADLO COC(=O)C1CCN(S(=O)(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000604020578 1073679313 /nfs/dbraw/zinc/67/93/13/1073679313.db2.gz WCPFFMUPRHCRDD-UHFFFAOYSA-N 1 2 411.524 0.813 20 0 HCADLO CC(=O)Nc1c(C)cccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000604022299 1073680281 /nfs/dbraw/zinc/68/02/81/1073680281.db2.gz UKXKIMYZOOSDEK-UHFFFAOYSA-N 1 2 423.539 0.203 20 0 HCADLO COC(=O)c1ccc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)s1 ZINC000604023976 1073680117 /nfs/dbraw/zinc/68/01/17/1073680117.db2.gz JPBIYJKZACGFOV-UHFFFAOYSA-N 1 2 422.492 0.722 20 0 HCADLO Cn1cccc1C(=O)N1CCN(CC[NH+]2CCN(C(=O)c3cccn3C)CC2)CC1 ZINC000604042648 1073682648 /nfs/dbraw/zinc/68/26/48/1073682648.db2.gz PXBOFWMHUAEDCR-UHFFFAOYSA-N 1 2 412.538 0.579 20 0 HCADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000604079040 1073689055 /nfs/dbraw/zinc/68/90/55/1073689055.db2.gz ISFWUVFICFOACH-KRWDZBQOSA-N 1 2 424.571 0.047 20 0 HCADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000604079050 1073688840 /nfs/dbraw/zinc/68/88/40/1073688840.db2.gz ISFWUVFICFOACH-QGZVFWFLSA-N 1 2 424.571 0.047 20 0 HCADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000604080433 1073689794 /nfs/dbraw/zinc/68/97/94/1073689794.db2.gz PJJPWBKXRHUVFV-KRWDZBQOSA-N 1 2 416.526 0.551 20 0 HCADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000604080435 1073689581 /nfs/dbraw/zinc/68/95/81/1073689581.db2.gz PJJPWBKXRHUVFV-QGZVFWFLSA-N 1 2 416.526 0.551 20 0 HCADLO CC(C)N1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000604109763 1073701613 /nfs/dbraw/zinc/70/16/13/1073701613.db2.gz VEQSOAGQLJRTJK-INIZCTEOSA-N 1 2 402.499 0.429 20 0 HCADLO CC(C)N1CC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000604109836 1073701748 /nfs/dbraw/zinc/70/17/48/1073701748.db2.gz VEQSOAGQLJRTJK-MRXNPFEDSA-N 1 2 402.499 0.429 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCC[C@@H](C)O)cc2)CC1 ZINC000604111880 1073702286 /nfs/dbraw/zinc/70/22/86/1073702286.db2.gz QFFJNQVHEFNWAA-QGZVFWFLSA-N 1 2 406.527 0.842 20 0 HCADLO COC(=O)c1nc2nc(C)cc(N3CCN(c4[nH+]cnc5c4cnn5C)CC3)n2n1 ZINC000604119599 1073700198 /nfs/dbraw/zinc/70/01/98/1073700198.db2.gz GGXPLTXKXDRTMV-UHFFFAOYSA-N 1 2 408.426 0.223 20 0 HCADLO COC(=O)c1nc2nc(C)cc(N3CC[NH+](CC(=O)N4CCCCCC4)CC3)n2n1 ZINC000604120433 1073700848 /nfs/dbraw/zinc/70/08/48/1073700848.db2.gz HVZYUNZCXBUCLG-UHFFFAOYSA-N 1 2 415.498 0.744 20 0 HCADLO COC(=O)c1nc2nc(C)cc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)n2n1 ZINC000604120594 1073700935 /nfs/dbraw/zinc/70/09/35/1073700935.db2.gz KAOUTQMRQYYIDE-UHFFFAOYSA-N 1 2 401.471 0.354 20 0 HCADLO COC(=O)c1ccc(CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000604126057 1073710354 /nfs/dbraw/zinc/71/03/54/1073710354.db2.gz FWLPPQYUGGXNND-UHFFFAOYSA-N 1 2 412.494 0.927 20 0 HCADLO CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1=O ZINC000604128676 1073711906 /nfs/dbraw/zinc/71/19/06/1073711906.db2.gz NAEAQPALRAASGB-GOSISDBHSA-N 1 2 401.511 0.498 20 0 HCADLO CC(C)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1=O ZINC000604128677 1073712002 /nfs/dbraw/zinc/71/20/02/1073712002.db2.gz NAEAQPALRAASGB-SFHVURJKSA-N 1 2 401.511 0.498 20 0 HCADLO CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1=O ZINC000604130678 1073713262 /nfs/dbraw/zinc/71/32/62/1073713262.db2.gz SVOCYJXUODUNOO-KRWDZBQOSA-N 1 2 415.494 0.138 20 0 HCADLO CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1=O ZINC000604130679 1073713130 /nfs/dbraw/zinc/71/31/30/1073713130.db2.gz SVOCYJXUODUNOO-QGZVFWFLSA-N 1 2 415.494 0.138 20 0 HCADLO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(C)c1 ZINC000604137020 1073707832 /nfs/dbraw/zinc/70/78/32/1073707832.db2.gz CPQXSPNDQOCZAY-GOSISDBHSA-N 1 2 421.494 0.958 20 0 HCADLO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c(C)c1 ZINC000604137022 1073707485 /nfs/dbraw/zinc/70/74/85/1073707485.db2.gz CPQXSPNDQOCZAY-SFHVURJKSA-N 1 2 421.494 0.958 20 0 HCADLO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c2ccccc2O1 ZINC000604137757 1073707585 /nfs/dbraw/zinc/70/75/85/1073707585.db2.gz JPJCUHPVBYQVBA-AEFFLSMTSA-N 1 2 419.478 0.427 20 0 HCADLO COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c2ccccc2O1 ZINC000604137759 1073707417 /nfs/dbraw/zinc/70/74/17/1073707417.db2.gz JPJCUHPVBYQVBA-FUHWJXTLSA-N 1 2 419.478 0.427 20 0 HCADLO COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c2ccccc2O1 ZINC000604137761 1073707377 /nfs/dbraw/zinc/70/73/77/1073707377.db2.gz JPJCUHPVBYQVBA-SJLPKXTDSA-N 1 2 419.478 0.427 20 0 HCADLO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c2ccccc2O1 ZINC000604137763 1073708320 /nfs/dbraw/zinc/70/83/20/1073708320.db2.gz JPJCUHPVBYQVBA-WMZOPIPTSA-N 1 2 419.478 0.427 20 0 HCADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000604154014 1073722752 /nfs/dbraw/zinc/72/27/52/1073722752.db2.gz JKWUOZJZWPLFCV-KRWDZBQOSA-N 1 2 410.430 0.697 20 0 HCADLO COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000604154015 1073722303 /nfs/dbraw/zinc/72/23/03/1073722303.db2.gz JKWUOZJZWPLFCV-QGZVFWFLSA-N 1 2 410.430 0.697 20 0 HCADLO CC[C@@H](C)[C@@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604173630 1073732310 /nfs/dbraw/zinc/73/23/10/1073732310.db2.gz KHQOITUZZIAEBG-CVEARBPZSA-N 1 2 413.544 0.240 20 0 HCADLO CC[C@H](C)[C@@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604173631 1073731895 /nfs/dbraw/zinc/73/18/95/1073731895.db2.gz KHQOITUZZIAEBG-HOTGVXAUSA-N 1 2 413.544 0.240 20 0 HCADLO CC[C@@H](C)[C@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604173632 1073732137 /nfs/dbraw/zinc/73/21/37/1073732137.db2.gz KHQOITUZZIAEBG-HZPDHXFCSA-N 1 2 413.544 0.240 20 0 HCADLO CC[C@H](C)[C@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604173633 1073732676 /nfs/dbraw/zinc/73/26/76/1073732676.db2.gz KHQOITUZZIAEBG-JKSUJKDBSA-N 1 2 413.544 0.240 20 0 HCADLO CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604186721 1073739573 /nfs/dbraw/zinc/73/95/73/1073739573.db2.gz ROSSLWJORGKQFK-GOSISDBHSA-N 1 2 402.499 0.286 20 0 HCADLO CC(C)[C@H]1C(=O)NCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604186722 1073739276 /nfs/dbraw/zinc/73/92/76/1073739276.db2.gz ROSSLWJORGKQFK-SFHVURJKSA-N 1 2 402.499 0.286 20 0 HCADLO CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000604199225 1073745478 /nfs/dbraw/zinc/74/54/78/1073745478.db2.gz LMDVITJDNDYPJG-BBWFWOEESA-N 1 2 406.531 0.988 20 0 HCADLO CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000604199225 1073745470 /nfs/dbraw/zinc/74/54/70/1073745470.db2.gz LMDVITJDNDYPJG-BBWFWOEESA-N 1 2 406.531 0.988 20 0 HCADLO CC[C@H](C)[C@H](O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000604199226 1073745592 /nfs/dbraw/zinc/74/55/92/1073745592.db2.gz LMDVITJDNDYPJG-GVDBMIGSSA-N 1 2 406.531 0.988 20 0 HCADLO CC[C@H](C)[C@H](O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000604199226 1073745584 /nfs/dbraw/zinc/74/55/84/1073745584.db2.gz LMDVITJDNDYPJG-GVDBMIGSSA-N 1 2 406.531 0.988 20 0 HCADLO CC[C@H](C)[C@@H](O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000604199227 1073745850 /nfs/dbraw/zinc/74/58/50/1073745850.db2.gz LMDVITJDNDYPJG-ULQDDVLXSA-N 1 2 406.531 0.988 20 0 HCADLO CC[C@H](C)[C@@H](O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000604199227 1073745841 /nfs/dbraw/zinc/74/58/41/1073745841.db2.gz LMDVITJDNDYPJG-ULQDDVLXSA-N 1 2 406.531 0.988 20 0 HCADLO CC[C@H](C)[C@H](O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000604199229 1073745741 /nfs/dbraw/zinc/74/57/41/1073745741.db2.gz LMDVITJDNDYPJG-YESZJQIVSA-N 1 2 406.531 0.988 20 0 HCADLO CC[C@H](C)[C@H](O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000604199229 1073745737 /nfs/dbraw/zinc/74/57/37/1073745737.db2.gz LMDVITJDNDYPJG-YESZJQIVSA-N 1 2 406.531 0.988 20 0 HCADLO O=C(NCCn1cccn1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000604200069 1073745644 /nfs/dbraw/zinc/74/56/44/1073745644.db2.gz YZYNWLMSXKBHBH-INIZCTEOSA-N 1 2 400.487 0.478 20 0 HCADLO O=C(NCCn1cccn1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000604200069 1073745635 /nfs/dbraw/zinc/74/56/35/1073745635.db2.gz YZYNWLMSXKBHBH-INIZCTEOSA-N 1 2 400.487 0.478 20 0 HCADLO O=C(NCCn1cccn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000604200070 1073745669 /nfs/dbraw/zinc/74/56/69/1073745669.db2.gz YZYNWLMSXKBHBH-MRXNPFEDSA-N 1 2 400.487 0.478 20 0 HCADLO O=C(NCCn1cccn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000604200070 1073745664 /nfs/dbraw/zinc/74/56/64/1073745664.db2.gz YZYNWLMSXKBHBH-MRXNPFEDSA-N 1 2 400.487 0.478 20 0 HCADLO COC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000604208077 1073750087 /nfs/dbraw/zinc/75/00/87/1073750087.db2.gz DJNPQSKJRROPBP-UHFFFAOYSA-N 1 2 416.478 0.568 20 0 HCADLO COC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000604208077 1073750077 /nfs/dbraw/zinc/75/00/77/1073750077.db2.gz DJNPQSKJRROPBP-UHFFFAOYSA-N 1 2 416.478 0.568 20 0 HCADLO COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000604214951 1073747277 /nfs/dbraw/zinc/74/72/77/1073747277.db2.gz UJKQAZHCHCTKLA-AWEZNQCLSA-N 1 2 402.451 0.034 20 0 HCADLO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000604214952 1073747193 /nfs/dbraw/zinc/74/71/93/1073747193.db2.gz UJKQAZHCHCTKLA-CQSZACIVSA-N 1 2 402.451 0.034 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](C(=O)OC)C3)cc2)CC1 ZINC000604216158 1073747309 /nfs/dbraw/zinc/74/73/09/1073747309.db2.gz HOPVWJVROVBROI-KRWDZBQOSA-N 1 2 402.495 0.784 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC000604216159 1073747108 /nfs/dbraw/zinc/74/71/08/1073747108.db2.gz HOPVWJVROVBROI-QGZVFWFLSA-N 1 2 402.495 0.784 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000604267721 1073760536 /nfs/dbraw/zinc/76/05/36/1073760536.db2.gz YTXMYDYFKPHDPU-UHFFFAOYSA-N 1 2 417.491 0.434 20 0 HCADLO O=C(NCCCNc1cccc[nH+]1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000604267736 1073760495 /nfs/dbraw/zinc/76/04/95/1073760495.db2.gz BQMPEKKAQHROLG-UHFFFAOYSA-N 1 2 417.491 0.434 20 0 HCADLO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000604268416 1073760598 /nfs/dbraw/zinc/76/05/98/1073760598.db2.gz PZFKFSGAVVIHQQ-UHFFFAOYSA-N 1 2 419.507 0.727 20 0 HCADLO Cn1c2ncn(CCC(=O)NCc3cccc(-n4cc[nH+]c4)c3)c2c(=O)n(C)c1=O ZINC000604299757 1073762233 /nfs/dbraw/zinc/76/22/33/1073762233.db2.gz UBYREQVSBNLVMP-UHFFFAOYSA-N 1 2 407.434 0.326 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)NC3CC3)cc2)CC1 ZINC000604324494 1073764715 /nfs/dbraw/zinc/76/47/15/1073764715.db2.gz FYVGDYNWOFAGMZ-UHFFFAOYSA-N 1 2 402.495 0.167 20 0 HCADLO O=C(N[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000604336074 1073781768 /nfs/dbraw/zinc/78/17/68/1073781768.db2.gz FXUAQGUJVPTWIF-RTBURBONSA-N 1 2 400.523 0.952 20 0 HCADLO CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000604340254 1073782802 /nfs/dbraw/zinc/78/28/02/1073782802.db2.gz BIIDTNSNDKVTET-CRAIPNDOSA-N 1 2 424.492 0.864 20 0 HCADLO CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000604340255 1073783156 /nfs/dbraw/zinc/78/31/56/1073783156.db2.gz BIIDTNSNDKVTET-MAUKXSAKSA-N 1 2 424.492 0.864 20 0 HCADLO CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000604340256 1073783254 /nfs/dbraw/zinc/78/32/54/1073783254.db2.gz BIIDTNSNDKVTET-QAPCUYQASA-N 1 2 424.492 0.864 20 0 HCADLO CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000604340257 1073782923 /nfs/dbraw/zinc/78/29/23/1073782923.db2.gz BIIDTNSNDKVTET-YJBOKZPZSA-N 1 2 424.492 0.864 20 0 HCADLO C[C@@H](C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)[NH+]1CCN(C)CC1 ZINC000604342182 1073782987 /nfs/dbraw/zinc/78/29/87/1073782987.db2.gz SKFINCWSKGPGSW-INIZCTEOSA-N 1 2 422.551 0.010 20 0 HCADLO C[C@H](C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)[NH+]1CCN(C)CC1 ZINC000604342183 1073783190 /nfs/dbraw/zinc/78/31/90/1073783190.db2.gz SKFINCWSKGPGSW-MRXNPFEDSA-N 1 2 422.551 0.010 20 0 HCADLO O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604369293 1073768231 /nfs/dbraw/zinc/76/82/31/1073768231.db2.gz KWKBVVKXYGCOOE-INIZCTEOSA-N 1 2 414.510 0.206 20 0 HCADLO O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604369293 1073768216 /nfs/dbraw/zinc/76/82/16/1073768216.db2.gz KWKBVVKXYGCOOE-INIZCTEOSA-N 1 2 414.510 0.206 20 0 HCADLO O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604369294 1073768155 /nfs/dbraw/zinc/76/81/55/1073768155.db2.gz KWKBVVKXYGCOOE-MRXNPFEDSA-N 1 2 414.510 0.206 20 0 HCADLO O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604369294 1073768151 /nfs/dbraw/zinc/76/81/51/1073768151.db2.gz KWKBVVKXYGCOOE-MRXNPFEDSA-N 1 2 414.510 0.206 20 0 HCADLO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604370985 1073771340 /nfs/dbraw/zinc/77/13/40/1073771340.db2.gz GOVZQWURUSONRC-AWEZNQCLSA-N 1 2 416.569 0.135 20 0 HCADLO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604370991 1073771531 /nfs/dbraw/zinc/77/15/31/1073771531.db2.gz GOVZQWURUSONRC-CQSZACIVSA-N 1 2 416.569 0.135 20 0 HCADLO O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604373223 1073780563 /nfs/dbraw/zinc/78/05/63/1073780563.db2.gz XIUHMATYYKXVHZ-GOSISDBHSA-N 1 2 417.506 0.943 20 0 HCADLO O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604373224 1073780442 /nfs/dbraw/zinc/78/04/42/1073780442.db2.gz XIUHMATYYKXVHZ-SFHVURJKSA-N 1 2 417.506 0.943 20 0 HCADLO Cc1nc(S(=O)(=O)NCCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cn1C ZINC000604374492 1073800034 /nfs/dbraw/zinc/80/00/34/1073800034.db2.gz KLINLROHIMNZAS-UHFFFAOYSA-N 1 2 402.480 0.899 20 0 HCADLO CC[C@H]1COCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000604397010 1073804722 /nfs/dbraw/zinc/80/47/22/1073804722.db2.gz TXVHOGOMCIJEQL-INIZCTEOSA-N 1 2 411.524 0.639 20 0 HCADLO CC[C@H]1COCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000604397010 1073804715 /nfs/dbraw/zinc/80/47/15/1073804715.db2.gz TXVHOGOMCIJEQL-INIZCTEOSA-N 1 2 411.524 0.639 20 0 HCADLO CC[C@@H]1COCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000604397011 1073804815 /nfs/dbraw/zinc/80/48/15/1073804815.db2.gz TXVHOGOMCIJEQL-MRXNPFEDSA-N 1 2 411.524 0.639 20 0 HCADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000604397011 1073804814 /nfs/dbraw/zinc/80/48/14/1073804814.db2.gz TXVHOGOMCIJEQL-MRXNPFEDSA-N 1 2 411.524 0.639 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)CC1 ZINC000604398958 1073792023 /nfs/dbraw/zinc/79/20/23/1073792023.db2.gz RXHHYAHRYWFFBN-UHFFFAOYSA-N 1 2 422.551 0.865 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cc21 ZINC000604402771 1073793248 /nfs/dbraw/zinc/79/32/48/1073793248.db2.gz IPMDKZKAWUYLFT-UHFFFAOYSA-N 1 2 408.524 0.427 20 0 HCADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCc3cccc(-n4cc[nH+]c4)c3)cnc21 ZINC000604411977 1073796827 /nfs/dbraw/zinc/79/68/27/1073796827.db2.gz PGZZOZJLKCHNEA-UHFFFAOYSA-N 1 2 412.431 0.698 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000604430971 1073806264 /nfs/dbraw/zinc/80/62/64/1073806264.db2.gz OCFVCCKLLQAFAB-UHFFFAOYSA-N 1 2 420.535 0.605 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccco2)CC1 ZINC000604441282 1073807082 /nfs/dbraw/zinc/80/70/82/1073807082.db2.gz FYXZHHLNOQPTOK-HNNXBMFYSA-N 1 2 410.540 0.802 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccco2)CC1 ZINC000604441282 1073807078 /nfs/dbraw/zinc/80/70/78/1073807078.db2.gz FYXZHHLNOQPTOK-HNNXBMFYSA-N 1 2 410.540 0.802 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccco2)CC1 ZINC000604441284 1073807010 /nfs/dbraw/zinc/80/70/10/1073807010.db2.gz FYXZHHLNOQPTOK-OAHLLOKOSA-N 1 2 410.540 0.802 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccco2)CC1 ZINC000604441284 1073807008 /nfs/dbraw/zinc/80/70/08/1073807008.db2.gz FYXZHHLNOQPTOK-OAHLLOKOSA-N 1 2 410.540 0.802 20 0 HCADLO COC(=O)CCCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000604461974 1073810745 /nfs/dbraw/zinc/81/07/45/1073810745.db2.gz LJDUCZYWVZJSSW-UHFFFAOYSA-N 1 2 404.467 0.472 20 0 HCADLO COC(=O)CCn1c(SCC(=O)N2CC[NH+](C)CC2)nc2ccccc2c1=O ZINC000604472597 1073808221 /nfs/dbraw/zinc/80/82/21/1073808221.db2.gz RNOAXPXVNQDGKZ-UHFFFAOYSA-N 1 2 404.492 0.826 20 0 HCADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000604486865 1073807816 /nfs/dbraw/zinc/80/78/16/1073807816.db2.gz XTFOTNDKWZPOHF-UHFFFAOYSA-N 1 2 424.457 0.660 20 0 HCADLO CCOC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000604498146 1073812914 /nfs/dbraw/zinc/81/29/14/1073812914.db2.gz DUCVAORTVGSLNV-ZDUSSCGKSA-N 1 2 410.496 0.368 20 0 HCADLO COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000604498190 1073812893 /nfs/dbraw/zinc/81/28/93/1073812893.db2.gz WNCAFXXVCBQSHS-CABCVRRESA-N 1 2 409.508 0.649 20 0 HCADLO COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000604498191 1073813017 /nfs/dbraw/zinc/81/30/17/1073813017.db2.gz WNCAFXXVCBQSHS-GJZGRUSLSA-N 1 2 409.508 0.649 20 0 HCADLO COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000604498192 1073812960 /nfs/dbraw/zinc/81/29/60/1073812960.db2.gz WNCAFXXVCBQSHS-HUUCEWRRSA-N 1 2 409.508 0.649 20 0 HCADLO COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000604498193 1073812863 /nfs/dbraw/zinc/81/28/63/1073812863.db2.gz WNCAFXXVCBQSHS-LSDHHAIUSA-N 1 2 409.508 0.649 20 0 HCADLO COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000604498852 1073812883 /nfs/dbraw/zinc/81/28/83/1073812883.db2.gz YCGOROJEIPWOIF-AEFFLSMTSA-N 1 2 421.469 0.727 20 0 HCADLO COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000604498853 1073812956 /nfs/dbraw/zinc/81/29/56/1073812956.db2.gz YCGOROJEIPWOIF-FUHWJXTLSA-N 1 2 421.469 0.727 20 0 HCADLO COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000604498854 1073812978 /nfs/dbraw/zinc/81/29/78/1073812978.db2.gz YCGOROJEIPWOIF-WMZOPIPTSA-N 1 2 421.469 0.727 20 0 HCADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000604586270 1073818768 /nfs/dbraw/zinc/81/87/68/1073818768.db2.gz SPJMDFCHKDBINM-UHFFFAOYSA-N 1 2 400.487 0.084 20 0 HCADLO O=C(CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000604599969 1073817822 /nfs/dbraw/zinc/81/78/22/1073817822.db2.gz XHNVDEGFRBWZAU-HNNXBMFYSA-N 1 2 405.480 0.365 20 0 HCADLO O=C(CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000604599970 1073817845 /nfs/dbraw/zinc/81/78/45/1073817845.db2.gz XHNVDEGFRBWZAU-OAHLLOKOSA-N 1 2 405.480 0.365 20 0 HCADLO C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606394 1073821030 /nfs/dbraw/zinc/82/10/30/1073821030.db2.gz VDPBIFLDVPMNKM-CVEARBPZSA-N 1 2 414.510 0.204 20 0 HCADLO C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606394 1073821026 /nfs/dbraw/zinc/82/10/26/1073821026.db2.gz VDPBIFLDVPMNKM-CVEARBPZSA-N 1 2 414.510 0.204 20 0 HCADLO C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606395 1073821204 /nfs/dbraw/zinc/82/12/04/1073821204.db2.gz VDPBIFLDVPMNKM-HOTGVXAUSA-N 1 2 414.510 0.204 20 0 HCADLO C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606395 1073821202 /nfs/dbraw/zinc/82/12/02/1073821202.db2.gz VDPBIFLDVPMNKM-HOTGVXAUSA-N 1 2 414.510 0.204 20 0 HCADLO C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606396 1073821122 /nfs/dbraw/zinc/82/11/22/1073821122.db2.gz VDPBIFLDVPMNKM-HZPDHXFCSA-N 1 2 414.510 0.204 20 0 HCADLO C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606396 1073821113 /nfs/dbraw/zinc/82/11/13/1073821113.db2.gz VDPBIFLDVPMNKM-HZPDHXFCSA-N 1 2 414.510 0.204 20 0 HCADLO C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606397 1073820990 /nfs/dbraw/zinc/82/09/90/1073820990.db2.gz VDPBIFLDVPMNKM-JKSUJKDBSA-N 1 2 414.510 0.204 20 0 HCADLO C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604606397 1073820988 /nfs/dbraw/zinc/82/09/88/1073820988.db2.gz VDPBIFLDVPMNKM-JKSUJKDBSA-N 1 2 414.510 0.204 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000604630789 1073822558 /nfs/dbraw/zinc/82/25/58/1073822558.db2.gz SQAUOMXESUMXGS-HNNXBMFYSA-N 1 2 419.507 0.843 20 0 HCADLO CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000604630825 1073822475 /nfs/dbraw/zinc/82/24/75/1073822475.db2.gz XGDCGUYXSJZUBE-UHFFFAOYSA-N 1 2 419.507 0.844 20 0 HCADLO CC[C@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604639827 1073822492 /nfs/dbraw/zinc/82/24/92/1073822492.db2.gz RNRUBMQGXYAQSW-INIZCTEOSA-N 1 2 411.528 0.354 20 0 HCADLO CC[C@@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604639828 1073822521 /nfs/dbraw/zinc/82/25/21/1073822521.db2.gz RNRUBMQGXYAQSW-MRXNPFEDSA-N 1 2 411.528 0.354 20 0 HCADLO O=C(NCCS(=O)(=O)c1ccccc1)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604645725 1073840579 /nfs/dbraw/zinc/84/05/79/1073840579.db2.gz ZYSSTOPSQWTTJK-KRWDZBQOSA-N 1 2 410.540 0.166 20 0 HCADLO O=C(NCCS(=O)(=O)c1ccccc1)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604645726 1073840553 /nfs/dbraw/zinc/84/05/53/1073840553.db2.gz ZYSSTOPSQWTTJK-QGZVFWFLSA-N 1 2 410.540 0.166 20 0 HCADLO O=C(NCCCS(=O)(=O)c1ccccc1)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604646169 1073839918 /nfs/dbraw/zinc/83/99/18/1073839918.db2.gz BVNICIAFNIVUMZ-GOSISDBHSA-N 1 2 424.567 0.556 20 0 HCADLO O=C(NCCCS(=O)(=O)c1ccccc1)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604646170 1073839892 /nfs/dbraw/zinc/83/98/92/1073839892.db2.gz BVNICIAFNIVUMZ-SFHVURJKSA-N 1 2 424.567 0.556 20 0 HCADLO O=C(NCCOC[C@@H]1CCCO1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604648155 1073841175 /nfs/dbraw/zinc/84/11/75/1073841175.db2.gz XIDHCPNJRJOVSN-KRWDZBQOSA-N 1 2 405.499 0.615 20 0 HCADLO O=C(NCCOC[C@H]1CCCO1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604648156 1073841247 /nfs/dbraw/zinc/84/12/47/1073841247.db2.gz XIDHCPNJRJOVSN-QGZVFWFLSA-N 1 2 405.499 0.615 20 0 HCADLO CCN(C(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H](C)CS(=O)(=O)CC ZINC000604668731 1073834301 /nfs/dbraw/zinc/83/43/01/1073834301.db2.gz JMVQGMDMKSGCQP-DLBZAZTESA-N 1 2 404.577 0.248 20 0 HCADLO CCN(C(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H](C)CS(=O)(=O)CC ZINC000604668732 1073834399 /nfs/dbraw/zinc/83/43/99/1073834399.db2.gz JMVQGMDMKSGCQP-IAGOWNOFSA-N 1 2 404.577 0.248 20 0 HCADLO CCN(C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H](C)CS(=O)(=O)CC ZINC000604668733 1073834530 /nfs/dbraw/zinc/83/45/30/1073834530.db2.gz JMVQGMDMKSGCQP-IRXDYDNUSA-N 1 2 404.577 0.248 20 0 HCADLO CCN(C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H](C)CS(=O)(=O)CC ZINC000604668734 1073834509 /nfs/dbraw/zinc/83/45/09/1073834509.db2.gz JMVQGMDMKSGCQP-SJORKVTESA-N 1 2 404.577 0.248 20 0 HCADLO O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668917 1073835404 /nfs/dbraw/zinc/83/54/04/1073835404.db2.gz NSUWUXTXGHVFSZ-KRWDZBQOSA-N 1 2 417.489 0.817 20 0 HCADLO O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668917 1073835403 /nfs/dbraw/zinc/83/54/03/1073835403.db2.gz NSUWUXTXGHVFSZ-KRWDZBQOSA-N 1 2 417.489 0.817 20 0 HCADLO O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668918 1073834891 /nfs/dbraw/zinc/83/48/91/1073834891.db2.gz NSUWUXTXGHVFSZ-QGZVFWFLSA-N 1 2 417.489 0.817 20 0 HCADLO O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668918 1073834887 /nfs/dbraw/zinc/83/48/87/1073834887.db2.gz NSUWUXTXGHVFSZ-QGZVFWFLSA-N 1 2 417.489 0.817 20 0 HCADLO NS(=O)(=O)c1ccc(F)c(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000604677659 1073837476 /nfs/dbraw/zinc/83/74/76/1073837476.db2.gz RZGVSTRIIWIDEJ-UHFFFAOYSA-N 1 2 417.422 0.914 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCOC[C@@H]2CCCO2)CC1 ZINC000604680269 1073843618 /nfs/dbraw/zinc/84/36/18/1073843618.db2.gz ZXDODNDGNKPNCU-INIZCTEOSA-N 1 2 418.494 0.325 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCOC[C@H]2CCCO2)CC1 ZINC000604680270 1073843635 /nfs/dbraw/zinc/84/36/35/1073843635.db2.gz ZXDODNDGNKPNCU-MRXNPFEDSA-N 1 2 418.494 0.325 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@H](OCCO)C2)CC1 ZINC000604680573 1073843645 /nfs/dbraw/zinc/84/36/45/1073843645.db2.gz ICXSJNVFKKEADA-INIZCTEOSA-N 1 2 418.494 0.013 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)CC1 ZINC000604680574 1073843674 /nfs/dbraw/zinc/84/36/74/1073843674.db2.gz ICXSJNVFKKEADA-MRXNPFEDSA-N 1 2 418.494 0.013 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC2(C(N)=O)CCCC2)CC1 ZINC000604688843 1073848969 /nfs/dbraw/zinc/84/89/69/1073848969.db2.gz ONYYYOMMGVGZHT-UHFFFAOYSA-N 1 2 415.494 0.175 20 0 HCADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000604689517 1073848552 /nfs/dbraw/zinc/84/85/52/1073848552.db2.gz DBEFMFZRCYFEAG-UHFFFAOYSA-N 1 2 419.445 0.458 20 0 HCADLO COc1ccc(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1OCC(N)=O ZINC000604689917 1073849762 /nfs/dbraw/zinc/84/97/62/1073849762.db2.gz KMUNIGGMBZRSTH-UHFFFAOYSA-N 1 2 423.429 1.000 20 0 HCADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000604741355 1073852445 /nfs/dbraw/zinc/85/24/45/1073852445.db2.gz SJVCWHJHFOUINT-INIZCTEOSA-N 1 2 412.531 0.956 20 0 HCADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000604741356 1073852396 /nfs/dbraw/zinc/85/23/96/1073852396.db2.gz SJVCWHJHFOUINT-MRXNPFEDSA-N 1 2 412.531 0.956 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000604749266 1073851054 /nfs/dbraw/zinc/85/10/54/1073851054.db2.gz JARSWQQIHHAJRN-FGTMMUONSA-N 1 2 408.543 0.367 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000604749267 1073851012 /nfs/dbraw/zinc/85/10/12/1073851012.db2.gz JARSWQQIHHAJRN-KURKYZTESA-N 1 2 408.543 0.367 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000604749268 1073851112 /nfs/dbraw/zinc/85/11/12/1073851112.db2.gz JARSWQQIHHAJRN-KZNAEPCWSA-N 1 2 408.543 0.367 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000604749269 1073851029 /nfs/dbraw/zinc/85/10/29/1073851029.db2.gz JARSWQQIHHAJRN-SQNIBIBYSA-N 1 2 408.543 0.367 20 0 HCADLO CCCCNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000604758920 1073855080 /nfs/dbraw/zinc/85/50/80/1073855080.db2.gz YNOYJNLLXJBNRH-UHFFFAOYSA-N 1 2 409.512 0.881 20 0 HCADLO COc1ccc(-c2cc(C[NH2+][C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)on2)cc1 ZINC000604760067 1073855038 /nfs/dbraw/zinc/85/50/38/1073855038.db2.gz VUZSNUPMYRAHIK-RBUKOAKNSA-N 1 2 407.492 0.938 20 0 HCADLO COc1ccc(-c2cc(C[NH2+][C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)on2)cc1 ZINC000604760068 1073855134 /nfs/dbraw/zinc/85/51/34/1073855134.db2.gz VUZSNUPMYRAHIK-RTBURBONSA-N 1 2 407.492 0.938 20 0 HCADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000604763635 1073855884 /nfs/dbraw/zinc/85/58/84/1073855884.db2.gz IIOWLUFFZSYPMT-UHFFFAOYSA-N 1 2 408.524 0.241 20 0 HCADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000604764064 1073856138 /nfs/dbraw/zinc/85/61/38/1073856138.db2.gz RPLZQVRYJKGJIB-INIZCTEOSA-N 1 2 404.554 0.866 20 0 HCADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000604764064 1073856136 /nfs/dbraw/zinc/85/61/36/1073856136.db2.gz RPLZQVRYJKGJIB-INIZCTEOSA-N 1 2 404.554 0.866 20 0 HCADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000604764066 1073856197 /nfs/dbraw/zinc/85/61/97/1073856197.db2.gz RPLZQVRYJKGJIB-MRXNPFEDSA-N 1 2 404.554 0.866 20 0 HCADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000604764066 1073856195 /nfs/dbraw/zinc/85/61/95/1073856195.db2.gz RPLZQVRYJKGJIB-MRXNPFEDSA-N 1 2 404.554 0.866 20 0 HCADLO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000604769166 1073853818 /nfs/dbraw/zinc/85/38/18/1073853818.db2.gz JQWSVWOSWMZKOP-HNNXBMFYSA-N 1 2 401.554 0.777 20 0 HCADLO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000604769167 1073853737 /nfs/dbraw/zinc/85/37/37/1073853737.db2.gz JQWSVWOSWMZKOP-OAHLLOKOSA-N 1 2 401.554 0.777 20 0 HCADLO C[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)N(C)C ZINC000604773862 1073853672 /nfs/dbraw/zinc/85/36/72/1073853672.db2.gz KINUZJWSIRMPJS-CHWSQXEVSA-N 1 2 405.417 0.970 20 0 HCADLO C[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)N(C)C ZINC000604773862 1073853664 /nfs/dbraw/zinc/85/36/64/1073853664.db2.gz KINUZJWSIRMPJS-CHWSQXEVSA-N 1 2 405.417 0.970 20 0 HCADLO C[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)N(C)C ZINC000604773863 1073853833 /nfs/dbraw/zinc/85/38/33/1073853833.db2.gz KINUZJWSIRMPJS-OLZOCXBDSA-N 1 2 405.417 0.970 20 0 HCADLO C[C@@H](NC(=O)C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)N(C)C ZINC000604773863 1073853831 /nfs/dbraw/zinc/85/38/31/1073853831.db2.gz KINUZJWSIRMPJS-OLZOCXBDSA-N 1 2 405.417 0.970 20 0 HCADLO C[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)N(C)C ZINC000604773864 1073853795 /nfs/dbraw/zinc/85/37/95/1073853795.db2.gz KINUZJWSIRMPJS-QWHCGFSZSA-N 1 2 405.417 0.970 20 0 HCADLO C[C@H](NC(=O)C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)N(C)C ZINC000604773864 1073853794 /nfs/dbraw/zinc/85/37/94/1073853794.db2.gz KINUZJWSIRMPJS-QWHCGFSZSA-N 1 2 405.417 0.970 20 0 HCADLO CCc1cc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000604804742 1073857096 /nfs/dbraw/zinc/85/70/96/1073857096.db2.gz FCYGVNGVPFHJBC-UHFFFAOYSA-N 1 2 421.527 0.651 20 0 HCADLO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)nc2)CC1 ZINC000604838590 1073858515 /nfs/dbraw/zinc/85/85/15/1073858515.db2.gz OYKLIUWTVQATBD-UHFFFAOYSA-N 1 2 411.509 0.282 20 0 HCADLO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)nc2)CC1 ZINC000604838636 1073858477 /nfs/dbraw/zinc/85/84/77/1073858477.db2.gz VNDUEMKCOBKIEM-UHFFFAOYSA-N 1 2 411.509 0.282 20 0 HCADLO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000604846149 1073859786 /nfs/dbraw/zinc/85/97/86/1073859786.db2.gz HIJYRJKEEGXCCI-UHFFFAOYSA-N 1 2 405.524 0.916 20 0 HCADLO COc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000604863660 1073860828 /nfs/dbraw/zinc/86/08/28/1073860828.db2.gz WVDBXZDAXDFZHK-UHFFFAOYSA-N 1 2 411.462 0.884 20 0 HCADLO CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000604879348 1073867392 /nfs/dbraw/zinc/86/73/92/1073867392.db2.gz SZAZVHKHJVNYEH-INIZCTEOSA-N 1 2 405.480 0.676 20 0 HCADLO CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000604879349 1073867424 /nfs/dbraw/zinc/86/74/24/1073867424.db2.gz SZAZVHKHJVNYEH-MRXNPFEDSA-N 1 2 405.480 0.676 20 0 HCADLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000604885782 1073869147 /nfs/dbraw/zinc/86/91/47/1073869147.db2.gz OWDKFYWIPOREMI-PBHICJAKSA-N 1 2 411.524 0.991 20 0 HCADLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000604885782 1073869143 /nfs/dbraw/zinc/86/91/43/1073869143.db2.gz OWDKFYWIPOREMI-PBHICJAKSA-N 1 2 411.524 0.991 20 0 HCADLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000604885783 1073869067 /nfs/dbraw/zinc/86/90/67/1073869067.db2.gz OWDKFYWIPOREMI-RHSMWYFYSA-N 1 2 411.524 0.991 20 0 HCADLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000604885783 1073869063 /nfs/dbraw/zinc/86/90/63/1073869063.db2.gz OWDKFYWIPOREMI-RHSMWYFYSA-N 1 2 411.524 0.991 20 0 HCADLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000604885784 1073869081 /nfs/dbraw/zinc/86/90/81/1073869081.db2.gz OWDKFYWIPOREMI-WMLDXEAASA-N 1 2 411.524 0.991 20 0 HCADLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000604885784 1073869079 /nfs/dbraw/zinc/86/90/79/1073869079.db2.gz OWDKFYWIPOREMI-WMLDXEAASA-N 1 2 411.524 0.991 20 0 HCADLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000604885785 1073869126 /nfs/dbraw/zinc/86/91/26/1073869126.db2.gz OWDKFYWIPOREMI-YOEHRIQHSA-N 1 2 411.524 0.991 20 0 HCADLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000604885785 1073869124 /nfs/dbraw/zinc/86/91/24/1073869124.db2.gz OWDKFYWIPOREMI-YOEHRIQHSA-N 1 2 411.524 0.991 20 0 HCADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000604885865 1073869101 /nfs/dbraw/zinc/86/91/01/1073869101.db2.gz BREMXVFCCYDDGD-KRWDZBQOSA-N 1 2 414.572 0.251 20 0 HCADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000604885865 1073869100 /nfs/dbraw/zinc/86/91/00/1073869100.db2.gz BREMXVFCCYDDGD-KRWDZBQOSA-N 1 2 414.572 0.251 20 0 HCADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000604885866 1073869035 /nfs/dbraw/zinc/86/90/35/1073869035.db2.gz BREMXVFCCYDDGD-QGZVFWFLSA-N 1 2 414.572 0.251 20 0 HCADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000604885866 1073869034 /nfs/dbraw/zinc/86/90/34/1073869034.db2.gz BREMXVFCCYDDGD-QGZVFWFLSA-N 1 2 414.572 0.251 20 0 HCADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000604885913 1073869631 /nfs/dbraw/zinc/86/96/31/1073869631.db2.gz IYUWBBYLALRPKL-HNNXBMFYSA-N 1 2 400.932 0.612 20 0 HCADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000604885913 1073869629 /nfs/dbraw/zinc/86/96/29/1073869629.db2.gz IYUWBBYLALRPKL-HNNXBMFYSA-N 1 2 400.932 0.612 20 0 HCADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000604885914 1073869672 /nfs/dbraw/zinc/86/96/72/1073869672.db2.gz IYUWBBYLALRPKL-OAHLLOKOSA-N 1 2 400.932 0.612 20 0 HCADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000604885914 1073869668 /nfs/dbraw/zinc/86/96/68/1073869668.db2.gz IYUWBBYLALRPKL-OAHLLOKOSA-N 1 2 400.932 0.612 20 0 HCADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000604886087 1073869598 /nfs/dbraw/zinc/86/95/98/1073869598.db2.gz WEOWPQSVCHMQBG-KRWDZBQOSA-N 1 2 408.524 0.487 20 0 HCADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000604886087 1073869595 /nfs/dbraw/zinc/86/95/95/1073869595.db2.gz WEOWPQSVCHMQBG-KRWDZBQOSA-N 1 2 408.524 0.487 20 0 HCADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000604886088 1073869560 /nfs/dbraw/zinc/86/95/60/1073869560.db2.gz WEOWPQSVCHMQBG-QGZVFWFLSA-N 1 2 408.524 0.487 20 0 HCADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000604886088 1073869559 /nfs/dbraw/zinc/86/95/59/1073869559.db2.gz WEOWPQSVCHMQBG-QGZVFWFLSA-N 1 2 408.524 0.487 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCOC[C@H]2c2ccco2)CC1 ZINC000604886364 1073869649 /nfs/dbraw/zinc/86/96/49/1073869649.db2.gz ISMXCTZGVCAPDK-INIZCTEOSA-N 1 2 411.466 0.678 20 0 HCADLO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)CC2)C1 ZINC000604886384 1073869615 /nfs/dbraw/zinc/86/96/15/1073869615.db2.gz FYPIRYNJZCJGQC-DOTOQJQBSA-N 1 2 414.572 0.107 20 0 HCADLO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)CC2)C1 ZINC000604886384 1073869612 /nfs/dbraw/zinc/86/96/12/1073869612.db2.gz FYPIRYNJZCJGQC-DOTOQJQBSA-N 1 2 414.572 0.107 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCOC[C@@H]2c2ccco2)CC1 ZINC000604886385 1073869530 /nfs/dbraw/zinc/86/95/30/1073869530.db2.gz ISMXCTZGVCAPDK-MRXNPFEDSA-N 1 2 411.466 0.678 20 0 HCADLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)CC2)C1 ZINC000604886391 1073869502 /nfs/dbraw/zinc/86/95/02/1073869502.db2.gz FYPIRYNJZCJGQC-NVXWUHKLSA-N 1 2 414.572 0.107 20 0 HCADLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)CC2)C1 ZINC000604886391 1073869501 /nfs/dbraw/zinc/86/95/01/1073869501.db2.gz FYPIRYNJZCJGQC-NVXWUHKLSA-N 1 2 414.572 0.107 20 0 HCADLO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)CC2)C1 ZINC000604886396 1073869514 /nfs/dbraw/zinc/86/95/14/1073869514.db2.gz FYPIRYNJZCJGQC-RDJZCZTQSA-N 1 2 414.572 0.107 20 0 HCADLO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)CC2)C1 ZINC000604886396 1073869512 /nfs/dbraw/zinc/86/95/12/1073869512.db2.gz FYPIRYNJZCJGQC-RDJZCZTQSA-N 1 2 414.572 0.107 20 0 HCADLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)CC2)C1 ZINC000604886400 1073869586 /nfs/dbraw/zinc/86/95/86/1073869586.db2.gz FYPIRYNJZCJGQC-WBVHZDCISA-N 1 2 414.572 0.107 20 0 HCADLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)CC2)C1 ZINC000604886400 1073869584 /nfs/dbraw/zinc/86/95/84/1073869584.db2.gz FYPIRYNJZCJGQC-WBVHZDCISA-N 1 2 414.572 0.107 20 0 HCADLO O=C(NC1(c2nnn(C[C@@H](O)C[NH+]3CCOCC3)n2)CCCC1)c1ccccc1 ZINC000604891743 1073870460 /nfs/dbraw/zinc/87/04/60/1073870460.db2.gz LWFGJMDHXPLLFX-KRWDZBQOSA-N 1 2 400.483 0.566 20 0 HCADLO O=C(NC1(c2nnn(C[C@H](O)C[NH+]3CCOCC3)n2)CCCC1)c1ccccc1 ZINC000604891744 1073870442 /nfs/dbraw/zinc/87/04/42/1073870442.db2.gz LWFGJMDHXPLLFX-QGZVFWFLSA-N 1 2 400.483 0.566 20 0 HCADLO CS(=O)(=O)N[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000604894120 1073861587 /nfs/dbraw/zinc/86/15/87/1073861587.db2.gz NCNFGGCTPYMDAO-KRWDZBQOSA-N 1 2 423.539 0.423 20 0 HCADLO CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000604894127 1073861602 /nfs/dbraw/zinc/86/16/02/1073861602.db2.gz NCNFGGCTPYMDAO-QGZVFWFLSA-N 1 2 423.539 0.423 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000604904632 1073863470 /nfs/dbraw/zinc/86/34/70/1073863470.db2.gz OTQLLLYPNFXKFV-AWEZNQCLSA-N 1 2 409.512 0.230 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000604904633 1073863531 /nfs/dbraw/zinc/86/35/31/1073863531.db2.gz OTQLLLYPNFXKFV-CQSZACIVSA-N 1 2 409.512 0.230 20 0 HCADLO COCCOC1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000604917410 1073870859 /nfs/dbraw/zinc/87/08/59/1073870859.db2.gz SMLPCULNGKZYRC-UHFFFAOYSA-N 1 2 419.526 0.957 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000604927880 1073872414 /nfs/dbraw/zinc/87/24/14/1073872414.db2.gz YIEHNEUJHQZTNP-PBHICJAKSA-N 1 2 424.523 0.168 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000604927881 1073872456 /nfs/dbraw/zinc/87/24/56/1073872456.db2.gz YIEHNEUJHQZTNP-RHSMWYFYSA-N 1 2 424.523 0.168 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000604927882 1073872428 /nfs/dbraw/zinc/87/24/28/1073872428.db2.gz YIEHNEUJHQZTNP-WMLDXEAASA-N 1 2 424.523 0.168 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000604927883 1073872400 /nfs/dbraw/zinc/87/24/00/1073872400.db2.gz YIEHNEUJHQZTNP-YOEHRIQHSA-N 1 2 424.523 0.168 20 0 HCADLO CC(C)(C)NC(=O)CNC(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604931613 1073874449 /nfs/dbraw/zinc/87/44/49/1073874449.db2.gz BOODOGWPMDMNGM-INIZCTEOSA-N 1 2 415.498 0.278 20 0 HCADLO CC(C)(C)NC(=O)CNC(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604931613 1073874448 /nfs/dbraw/zinc/87/44/48/1073874448.db2.gz BOODOGWPMDMNGM-INIZCTEOSA-N 1 2 415.498 0.278 20 0 HCADLO CC(C)(C)NC(=O)CNC(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604931614 1073874472 /nfs/dbraw/zinc/87/44/72/1073874472.db2.gz BOODOGWPMDMNGM-MRXNPFEDSA-N 1 2 415.498 0.278 20 0 HCADLO CC(C)(C)NC(=O)CNC(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604931614 1073874468 /nfs/dbraw/zinc/87/44/68/1073874468.db2.gz BOODOGWPMDMNGM-MRXNPFEDSA-N 1 2 415.498 0.278 20 0 HCADLO CC1(C)NC(=O)N(CCCn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1=O ZINC000604931627 1073874356 /nfs/dbraw/zinc/87/43/56/1073874356.db2.gz CBGGIOXBKTXXKP-INIZCTEOSA-N 1 2 413.482 0.967 20 0 HCADLO CC1(C)NC(=O)N(CCCn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1=O ZINC000604931627 1073874350 /nfs/dbraw/zinc/87/43/50/1073874350.db2.gz CBGGIOXBKTXXKP-INIZCTEOSA-N 1 2 413.482 0.967 20 0 HCADLO CC1(C)NC(=O)N(CCCn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1=O ZINC000604931628 1073874510 /nfs/dbraw/zinc/87/45/10/1073874510.db2.gz CBGGIOXBKTXXKP-MRXNPFEDSA-N 1 2 413.482 0.967 20 0 HCADLO CC1(C)NC(=O)N(CCCn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1=O ZINC000604931628 1073874509 /nfs/dbraw/zinc/87/45/09/1073874509.db2.gz CBGGIOXBKTXXKP-MRXNPFEDSA-N 1 2 413.482 0.967 20 0 HCADLO CCCNC(=O)CN(C)C(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932028 1073874874 /nfs/dbraw/zinc/87/48/74/1073874874.db2.gz QSQMOZNOBCOGPD-KRWDZBQOSA-N 1 2 415.498 0.231 20 0 HCADLO CCCNC(=O)CN(C)C(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932028 1073874873 /nfs/dbraw/zinc/87/48/73/1073874873.db2.gz QSQMOZNOBCOGPD-KRWDZBQOSA-N 1 2 415.498 0.231 20 0 HCADLO CCCNC(=O)CN(C)C(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932029 1073874825 /nfs/dbraw/zinc/87/48/25/1073874825.db2.gz QSQMOZNOBCOGPD-QGZVFWFLSA-N 1 2 415.498 0.231 20 0 HCADLO CCCNC(=O)CN(C)C(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932029 1073874822 /nfs/dbraw/zinc/87/48/22/1073874822.db2.gz QSQMOZNOBCOGPD-QGZVFWFLSA-N 1 2 415.498 0.231 20 0 HCADLO CN(Cc1cnn(C)c1)C(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932030 1073874808 /nfs/dbraw/zinc/87/48/08/1073874808.db2.gz QTJULLCXXFCVAD-GOSISDBHSA-N 1 2 410.482 0.639 20 0 HCADLO CN(Cc1cnn(C)c1)C(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932030 1073874805 /nfs/dbraw/zinc/87/48/05/1073874805.db2.gz QTJULLCXXFCVAD-GOSISDBHSA-N 1 2 410.482 0.639 20 0 HCADLO CN(Cc1cnn(C)c1)C(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932031 1073874884 /nfs/dbraw/zinc/87/48/84/1073874884.db2.gz QTJULLCXXFCVAD-SFHVURJKSA-N 1 2 410.482 0.639 20 0 HCADLO CN(Cc1cnn(C)c1)C(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932031 1073874883 /nfs/dbraw/zinc/87/48/83/1073874883.db2.gz QTJULLCXXFCVAD-SFHVURJKSA-N 1 2 410.482 0.639 20 0 HCADLO Cn1ncc2c1nc(Cn1nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n1)[nH]c2=O ZINC000604932133 1073874737 /nfs/dbraw/zinc/87/47/37/1073874737.db2.gz VNQJSSKETFCPHN-HNNXBMFYSA-N 1 2 407.438 0.677 20 0 HCADLO Cn1ncc2c1nc(Cn1nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n1)[nH]c2=O ZINC000604932133 1073874733 /nfs/dbraw/zinc/87/47/33/1073874733.db2.gz VNQJSSKETFCPHN-HNNXBMFYSA-N 1 2 407.438 0.677 20 0 HCADLO Cn1ncc2c1nc(Cn1nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n1)[nH]c2=O ZINC000604932134 1073874750 /nfs/dbraw/zinc/87/47/50/1073874750.db2.gz VNQJSSKETFCPHN-OAHLLOKOSA-N 1 2 407.438 0.677 20 0 HCADLO Cn1ncc2c1nc(Cn1nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n1)[nH]c2=O ZINC000604932134 1073874748 /nfs/dbraw/zinc/87/47/48/1073874748.db2.gz VNQJSSKETFCPHN-OAHLLOKOSA-N 1 2 407.438 0.677 20 0 HCADLO NC(=O)[C@@H]1CCCCN1C(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932511 1073874855 /nfs/dbraw/zinc/87/48/55/1073874855.db2.gz OWQPTXYMMQOLDX-DLBZAZTESA-N 1 2 413.482 0.113 20 0 HCADLO NC(=O)[C@@H]1CCCCN1C(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932511 1073874851 /nfs/dbraw/zinc/87/48/51/1073874851.db2.gz OWQPTXYMMQOLDX-DLBZAZTESA-N 1 2 413.482 0.113 20 0 HCADLO NC(=O)[C@H]1CCCCN1C(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932512 1073874900 /nfs/dbraw/zinc/87/49/00/1073874900.db2.gz OWQPTXYMMQOLDX-IAGOWNOFSA-N 1 2 413.482 0.113 20 0 HCADLO NC(=O)[C@H]1CCCCN1C(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932512 1073874897 /nfs/dbraw/zinc/87/48/97/1073874897.db2.gz OWQPTXYMMQOLDX-IAGOWNOFSA-N 1 2 413.482 0.113 20 0 HCADLO NC(=O)[C@@H]1CCCCN1C(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932513 1073874772 /nfs/dbraw/zinc/87/47/72/1073874772.db2.gz OWQPTXYMMQOLDX-IRXDYDNUSA-N 1 2 413.482 0.113 20 0 HCADLO NC(=O)[C@@H]1CCCCN1C(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932513 1073874771 /nfs/dbraw/zinc/87/47/71/1073874771.db2.gz OWQPTXYMMQOLDX-IRXDYDNUSA-N 1 2 413.482 0.113 20 0 HCADLO NC(=O)[C@H]1CCCCN1C(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000604932514 1073874835 /nfs/dbraw/zinc/87/48/35/1073874835.db2.gz OWQPTXYMMQOLDX-SJORKVTESA-N 1 2 413.482 0.113 20 0 HCADLO NC(=O)[C@H]1CCCCN1C(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000604932514 1073874832 /nfs/dbraw/zinc/87/48/32/1073874832.db2.gz OWQPTXYMMQOLDX-SJORKVTESA-N 1 2 413.482 0.113 20 0 HCADLO O=C(COC1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000604944360 1073875271 /nfs/dbraw/zinc/87/52/71/1073875271.db2.gz VDBRFKXULCZINZ-INIZCTEOSA-N 1 2 405.499 0.594 20 0 HCADLO O=C(COC1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000604944360 1073875270 /nfs/dbraw/zinc/87/52/70/1073875270.db2.gz VDBRFKXULCZINZ-INIZCTEOSA-N 1 2 405.499 0.594 20 0 HCADLO O=C(COC1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000604944361 1073875194 /nfs/dbraw/zinc/87/51/94/1073875194.db2.gz VDBRFKXULCZINZ-MRXNPFEDSA-N 1 2 405.499 0.594 20 0 HCADLO O=C(COC1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000604944361 1073875193 /nfs/dbraw/zinc/87/51/93/1073875193.db2.gz VDBRFKXULCZINZ-MRXNPFEDSA-N 1 2 405.499 0.594 20 0 HCADLO COCC[N@H+]1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1C ZINC000604984416 1073877051 /nfs/dbraw/zinc/87/70/51/1073877051.db2.gz CUAMJGDFBAERIU-AWEZNQCLSA-N 1 2 417.553 0.562 20 0 HCADLO COCC[N@@H+]1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1C ZINC000604984416 1073877048 /nfs/dbraw/zinc/87/70/48/1073877048.db2.gz CUAMJGDFBAERIU-AWEZNQCLSA-N 1 2 417.553 0.562 20 0 HCADLO COCC[N@H+]1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1C ZINC000604984417 1073877110 /nfs/dbraw/zinc/87/71/10/1073877110.db2.gz CUAMJGDFBAERIU-CQSZACIVSA-N 1 2 417.553 0.562 20 0 HCADLO COCC[N@@H+]1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1C ZINC000604984417 1073877108 /nfs/dbraw/zinc/87/71/08/1073877108.db2.gz CUAMJGDFBAERIU-CQSZACIVSA-N 1 2 417.553 0.562 20 0 HCADLO NS(=O)(=O)c1ccc(N2CC[NH+](CCn3cnc4ccccc4c3=O)CC2)cc1 ZINC000604997295 1073878148 /nfs/dbraw/zinc/87/81/48/1073878148.db2.gz HWKRZQWYHPLGKI-UHFFFAOYSA-N 1 2 413.503 0.866 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@H+]2CCCOC(C)(C)C2)c(N)n(Cc2ccccc2)c1=O ZINC000604999422 1073878140 /nfs/dbraw/zinc/87/81/40/1073878140.db2.gz NLXYTRJXPJWTEI-UHFFFAOYSA-N 1 2 400.479 0.861 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@@H+]2CCCOC(C)(C)C2)c(N)n(Cc2ccccc2)c1=O ZINC000604999422 1073878136 /nfs/dbraw/zinc/87/81/36/1073878136.db2.gz NLXYTRJXPJWTEI-UHFFFAOYSA-N 1 2 400.479 0.861 20 0 HCADLO O=C(NCc1nnc2ccccn21)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000605045712 1073881350 /nfs/dbraw/zinc/88/13/50/1073881350.db2.gz MXDQNGPIRXCJMP-KRWDZBQOSA-N 1 2 410.478 0.996 20 0 HCADLO O=C(NCc1nnc2ccccn21)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000605045713 1073881394 /nfs/dbraw/zinc/88/13/94/1073881394.db2.gz MXDQNGPIRXCJMP-QGZVFWFLSA-N 1 2 410.478 0.996 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605062456 1073879599 /nfs/dbraw/zinc/87/95/99/1073879599.db2.gz KXCBNVBDOJTNOU-IBGZPJMESA-N 1 2 422.485 0.928 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605062456 1073879598 /nfs/dbraw/zinc/87/95/98/1073879598.db2.gz KXCBNVBDOJTNOU-IBGZPJMESA-N 1 2 422.485 0.928 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605062457 1073879702 /nfs/dbraw/zinc/87/97/02/1073879702.db2.gz KXCBNVBDOJTNOU-LJQANCHMSA-N 1 2 422.485 0.928 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605062457 1073879699 /nfs/dbraw/zinc/87/96/99/1073879699.db2.gz KXCBNVBDOJTNOU-LJQANCHMSA-N 1 2 422.485 0.928 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063553 1073879989 /nfs/dbraw/zinc/87/99/89/1073879989.db2.gz KMUZKXAUIKKVCZ-UHFFFAOYSA-N 1 2 421.501 0.849 20 0 HCADLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)C[C@@H]1C ZINC000605070865 1073882067 /nfs/dbraw/zinc/88/20/67/1073882067.db2.gz KKLKTHXSJHBQQH-HNNXBMFYSA-N 1 2 418.494 0.940 20 0 HCADLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)C[C@@H]1C ZINC000605070865 1073882063 /nfs/dbraw/zinc/88/20/63/1073882063.db2.gz KKLKTHXSJHBQQH-HNNXBMFYSA-N 1 2 418.494 0.940 20 0 HCADLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)C[C@H]1C ZINC000605070866 1073882021 /nfs/dbraw/zinc/88/20/21/1073882021.db2.gz KKLKTHXSJHBQQH-OAHLLOKOSA-N 1 2 418.494 0.940 20 0 HCADLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)C[C@H]1C ZINC000605070866 1073882018 /nfs/dbraw/zinc/88/20/18/1073882018.db2.gz KKLKTHXSJHBQQH-OAHLLOKOSA-N 1 2 418.494 0.940 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](O)CC(C)(C)C)CC1 ZINC000605072100 1073882108 /nfs/dbraw/zinc/88/21/08/1073882108.db2.gz SHFSQVUXTDIPIX-HNNXBMFYSA-N 1 2 404.511 0.926 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H](O)CC(C)(C)C)CC1 ZINC000605072101 1073882042 /nfs/dbraw/zinc/88/20/42/1073882042.db2.gz SHFSQVUXTDIPIX-OAHLLOKOSA-N 1 2 404.511 0.926 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)CC1 ZINC000605077533 1073882385 /nfs/dbraw/zinc/88/23/85/1073882385.db2.gz HTTWIKGCBUEVGY-UHFFFAOYSA-N 1 2 403.450 0.971 20 0 HCADLO C[C@H](Oc1cccnc1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000605084337 1073882293 /nfs/dbraw/zinc/88/22/93/1073882293.db2.gz NQXSMQHQONXELU-INIZCTEOSA-N 1 2 419.507 0.512 20 0 HCADLO C[C@@H](Oc1cccnc1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000605084338 1073882424 /nfs/dbraw/zinc/88/24/24/1073882424.db2.gz NQXSMQHQONXELU-MRXNPFEDSA-N 1 2 419.507 0.512 20 0 HCADLO O=C(COC[C@H]1CCOC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000605093688 1073882724 /nfs/dbraw/zinc/88/27/24/1073882724.db2.gz NRKCRYHZDPHPBH-DLBZAZTESA-N 1 2 405.499 0.451 20 0 HCADLO O=C(COC[C@H]1CCOC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000605093688 1073882719 /nfs/dbraw/zinc/88/27/19/1073882719.db2.gz NRKCRYHZDPHPBH-DLBZAZTESA-N 1 2 405.499 0.451 20 0 HCADLO O=C(COC[C@@H]1CCOC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000605093689 1073882640 /nfs/dbraw/zinc/88/26/40/1073882640.db2.gz NRKCRYHZDPHPBH-IAGOWNOFSA-N 1 2 405.499 0.451 20 0 HCADLO O=C(COC[C@@H]1CCOC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000605093689 1073882639 /nfs/dbraw/zinc/88/26/39/1073882639.db2.gz NRKCRYHZDPHPBH-IAGOWNOFSA-N 1 2 405.499 0.451 20 0 HCADLO O=C(COC[C@H]1CCOC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000605093690 1073882677 /nfs/dbraw/zinc/88/26/77/1073882677.db2.gz NRKCRYHZDPHPBH-IRXDYDNUSA-N 1 2 405.499 0.451 20 0 HCADLO O=C(COC[C@H]1CCOC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000605093690 1073882674 /nfs/dbraw/zinc/88/26/74/1073882674.db2.gz NRKCRYHZDPHPBH-IRXDYDNUSA-N 1 2 405.499 0.451 20 0 HCADLO O=C(COC[C@@H]1CCOC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000605093691 1073882697 /nfs/dbraw/zinc/88/26/97/1073882697.db2.gz NRKCRYHZDPHPBH-SJORKVTESA-N 1 2 405.499 0.451 20 0 HCADLO O=C(COC[C@@H]1CCOC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000605093691 1073882695 /nfs/dbraw/zinc/88/26/95/1073882695.db2.gz NRKCRYHZDPHPBH-SJORKVTESA-N 1 2 405.499 0.451 20 0 HCADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1nncn1Cc1ccccc1 ZINC000605117725 1073884093 /nfs/dbraw/zinc/88/40/93/1073884093.db2.gz YVNRXFDAJNLTOC-GOSISDBHSA-N 1 2 412.494 0.978 20 0 HCADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1nncn1Cc1ccccc1 ZINC000605117726 1073884141 /nfs/dbraw/zinc/88/41/41/1073884141.db2.gz YVNRXFDAJNLTOC-SFHVURJKSA-N 1 2 412.494 0.978 20 0 HCADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605120408 1073884546 /nfs/dbraw/zinc/88/45/46/1073884546.db2.gz FZXXBTHBPBZYKO-UHFFFAOYSA-N 1 2 405.480 0.207 20 0 HCADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)CC1 ZINC000605120895 1073884476 /nfs/dbraw/zinc/88/44/76/1073884476.db2.gz JSXNGRGVYSWXRT-UHFFFAOYSA-N 1 2 418.523 0.122 20 0 HCADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605137922 1073889069 /nfs/dbraw/zinc/88/90/69/1073889069.db2.gz WMRAYVXPMNWVTP-CYBMUJFWSA-N 1 2 421.523 0.879 20 0 HCADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605137923 1073888976 /nfs/dbraw/zinc/88/89/76/1073888976.db2.gz WMRAYVXPMNWVTP-ZDUSSCGKSA-N 1 2 421.523 0.879 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000605138247 1073889952 /nfs/dbraw/zinc/88/99/52/1073889952.db2.gz KFEVWJFBKKQENF-HNNXBMFYSA-N 1 2 421.523 0.865 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000605138248 1073889985 /nfs/dbraw/zinc/88/99/85/1073889985.db2.gz KFEVWJFBKKQENF-OAHLLOKOSA-N 1 2 421.523 0.865 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000605138639 1073890257 /nfs/dbraw/zinc/89/02/57/1073890257.db2.gz BDMFDGSGBXWGNI-CYBMUJFWSA-N 1 2 409.537 0.731 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000605138640 1073890344 /nfs/dbraw/zinc/89/03/44/1073890344.db2.gz BDMFDGSGBXWGNI-ZDUSSCGKSA-N 1 2 409.537 0.731 20 0 HCADLO CC(=O)NC[C@@H]1CN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCO1 ZINC000605152840 1073900352 /nfs/dbraw/zinc/90/03/52/1073900352.db2.gz IHHBIRRFKQNHDO-GOSISDBHSA-N 1 2 418.542 0.394 20 0 HCADLO CC(=O)NC[C@H]1CN(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCO1 ZINC000605152841 1073900511 /nfs/dbraw/zinc/90/05/11/1073900511.db2.gz IHHBIRRFKQNHDO-SFHVURJKSA-N 1 2 418.542 0.394 20 0 HCADLO CC(=O)NC[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000605152908 1073899414 /nfs/dbraw/zinc/89/94/14/1073899414.db2.gz XETFFPROBQNQHT-FQEVSTJZSA-N 1 2 416.522 0.103 20 0 HCADLO CC(=O)NC[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000605152909 1073899518 /nfs/dbraw/zinc/89/95/18/1073899518.db2.gz XETFFPROBQNQHT-HXUWFJFHSA-N 1 2 416.522 0.103 20 0 HCADLO NC(=O)c1ccc(N2CC[NH+](CC(=O)NCCCN3CCCCCC3=O)CC2)cc1 ZINC000605156642 1073900960 /nfs/dbraw/zinc/90/09/60/1073900960.db2.gz KAGALOHXWYSDMH-UHFFFAOYSA-N 1 2 415.538 0.816 20 0 HCADLO NC(=O)CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000605156756 1073901022 /nfs/dbraw/zinc/90/10/22/1073901022.db2.gz XXJFIIWUFBLSDT-UHFFFAOYSA-N 1 2 423.517 0.812 20 0 HCADLO COC[C@@H](C)S(=O)(=O)NC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000605160508 1073902003 /nfs/dbraw/zinc/90/20/03/1073902003.db2.gz SQJFSSFTPROXKO-CRAIPNDOSA-N 1 2 423.535 0.733 20 0 HCADLO COC[C@H](C)S(=O)(=O)NC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000605160509 1073901808 /nfs/dbraw/zinc/90/18/08/1073901808.db2.gz SQJFSSFTPROXKO-MAUKXSAKSA-N 1 2 423.535 0.733 20 0 HCADLO COC[C@@H](C)S(=O)(=O)NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000605160510 1073901863 /nfs/dbraw/zinc/90/18/63/1073901863.db2.gz SQJFSSFTPROXKO-QAPCUYQASA-N 1 2 423.535 0.733 20 0 HCADLO COC[C@H](C)S(=O)(=O)NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000605160511 1073901972 /nfs/dbraw/zinc/90/19/72/1073901972.db2.gz SQJFSSFTPROXKO-YJBOKZPZSA-N 1 2 423.535 0.733 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000605163398 1073893697 /nfs/dbraw/zinc/89/36/97/1073893697.db2.gz PJNWRWGLDSNTHD-AWEZNQCLSA-N 1 2 406.512 0.008 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000605163399 1073893757 /nfs/dbraw/zinc/89/37/57/1073893757.db2.gz PJNWRWGLDSNTHD-CQSZACIVSA-N 1 2 406.512 0.008 20 0 HCADLO CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cn1C ZINC000605163629 1073893308 /nfs/dbraw/zinc/89/33/08/1073893308.db2.gz YUVAPEWYNVGFFT-HNNXBMFYSA-N 1 2 420.539 0.269 20 0 HCADLO CNC(=O)c1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)cn1C ZINC000605163630 1073893322 /nfs/dbraw/zinc/89/33/22/1073893322.db2.gz YUVAPEWYNVGFFT-OAHLLOKOSA-N 1 2 420.539 0.269 20 0 HCADLO Cn1cc(N2CC[C@@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2=O)cn1 ZINC000605172418 1073895689 /nfs/dbraw/zinc/89/56/89/1073895689.db2.gz XHIFBYJFGLFVCM-CRAIPNDOSA-N 1 2 408.528 0.033 20 0 HCADLO Cn1cc(N2CC[C@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2=O)cn1 ZINC000605172419 1073895617 /nfs/dbraw/zinc/89/56/17/1073895617.db2.gz XHIFBYJFGLFVCM-MAUKXSAKSA-N 1 2 408.528 0.033 20 0 HCADLO Cn1cc(N2CC[C@@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2=O)cn1 ZINC000605172420 1073895675 /nfs/dbraw/zinc/89/56/75/1073895675.db2.gz XHIFBYJFGLFVCM-QAPCUYQASA-N 1 2 408.528 0.033 20 0 HCADLO Cn1cc(N2CC[C@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2=O)cn1 ZINC000605172421 1073895599 /nfs/dbraw/zinc/89/55/99/1073895599.db2.gz XHIFBYJFGLFVCM-YJBOKZPZSA-N 1 2 408.528 0.033 20 0 HCADLO O=C(NCCc1csc(N2CCCC2)n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605181945 1073898555 /nfs/dbraw/zinc/89/85/55/1073898555.db2.gz RWBFYDSAVZIMDI-INIZCTEOSA-N 1 2 421.567 0.583 20 0 HCADLO O=C(NCCc1csc(N2CCCC2)n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605181946 1073898500 /nfs/dbraw/zinc/89/85/00/1073898500.db2.gz RWBFYDSAVZIMDI-MRXNPFEDSA-N 1 2 421.567 0.583 20 0 HCADLO CC(=O)NC[C@H]1CN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000605191037 1073910376 /nfs/dbraw/zinc/91/03/76/1073910376.db2.gz HPQJRVVBNUJZRP-INIZCTEOSA-N 1 2 403.483 0.443 20 0 HCADLO CC(=O)NC[C@@H]1CN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000605191038 1073910293 /nfs/dbraw/zinc/91/02/93/1073910293.db2.gz HPQJRVVBNUJZRP-MRXNPFEDSA-N 1 2 403.483 0.443 20 0 HCADLO Cn1cc(N2CC[C@H](NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000605214658 1073904862 /nfs/dbraw/zinc/90/48/62/1073904862.db2.gz WMKBIUAUGZTCAS-MOPGFXCFSA-N 1 2 412.494 0.726 20 0 HCADLO Cn1cc(N2CC[C@H](NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000605214658 1073904856 /nfs/dbraw/zinc/90/48/56/1073904856.db2.gz WMKBIUAUGZTCAS-MOPGFXCFSA-N 1 2 412.494 0.726 20 0 HCADLO Cn1cc(N2CC[C@H](NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000605214659 1073904951 /nfs/dbraw/zinc/90/49/51/1073904951.db2.gz WMKBIUAUGZTCAS-OALUTQOASA-N 1 2 412.494 0.726 20 0 HCADLO Cn1cc(N2CC[C@H](NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000605214659 1073904945 /nfs/dbraw/zinc/90/49/45/1073904945.db2.gz WMKBIUAUGZTCAS-OALUTQOASA-N 1 2 412.494 0.726 20 0 HCADLO Cn1cc(N2CC[C@@H](NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000605214660 1073904849 /nfs/dbraw/zinc/90/48/49/1073904849.db2.gz WMKBIUAUGZTCAS-RBUKOAKNSA-N 1 2 412.494 0.726 20 0 HCADLO Cn1cc(N2CC[C@@H](NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000605214660 1073904842 /nfs/dbraw/zinc/90/48/42/1073904842.db2.gz WMKBIUAUGZTCAS-RBUKOAKNSA-N 1 2 412.494 0.726 20 0 HCADLO Cn1cc(N2CC[C@@H](NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000605214661 1073904922 /nfs/dbraw/zinc/90/49/22/1073904922.db2.gz WMKBIUAUGZTCAS-RTBURBONSA-N 1 2 412.494 0.726 20 0 HCADLO Cn1cc(N2CC[C@@H](NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cn1 ZINC000605214661 1073904917 /nfs/dbraw/zinc/90/49/17/1073904917.db2.gz WMKBIUAUGZTCAS-RTBURBONSA-N 1 2 412.494 0.726 20 0 HCADLO COCCNS(=O)(=O)c1cccc(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000605227597 1073937450 /nfs/dbraw/zinc/93/74/50/1073937450.db2.gz RQENHMKFFNWQOE-HNNXBMFYSA-N 1 2 414.528 0.131 20 0 HCADLO COCCNS(=O)(=O)c1cccc(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000605227597 1073937434 /nfs/dbraw/zinc/93/74/34/1073937434.db2.gz RQENHMKFFNWQOE-HNNXBMFYSA-N 1 2 414.528 0.131 20 0 HCADLO COCCNS(=O)(=O)c1cccc(CNC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000605227598 1073937499 /nfs/dbraw/zinc/93/74/99/1073937499.db2.gz RQENHMKFFNWQOE-OAHLLOKOSA-N 1 2 414.528 0.131 20 0 HCADLO COCCNS(=O)(=O)c1cccc(CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000605227598 1073937496 /nfs/dbraw/zinc/93/74/96/1073937496.db2.gz RQENHMKFFNWQOE-OAHLLOKOSA-N 1 2 414.528 0.131 20 0 HCADLO CC(=O)NC[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCO1 ZINC000605229285 1073937581 /nfs/dbraw/zinc/93/75/81/1073937581.db2.gz UEGYDWUTOWKKNX-PMACEKPBSA-N 1 2 404.511 0.476 20 0 HCADLO CC(=O)NC[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCO1 ZINC000605229286 1073938134 /nfs/dbraw/zinc/93/81/34/1073938134.db2.gz UEGYDWUTOWKKNX-UXHICEINSA-N 1 2 404.511 0.476 20 0 HCADLO CC(=O)NC[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCO1 ZINC000605229287 1073938232 /nfs/dbraw/zinc/93/82/32/1073938232.db2.gz UEGYDWUTOWKKNX-VQTJNVASSA-N 1 2 404.511 0.476 20 0 HCADLO CC(=O)NC[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCO1 ZINC000605229288 1073938159 /nfs/dbraw/zinc/93/81/59/1073938159.db2.gz UEGYDWUTOWKKNX-WOJBJXKFSA-N 1 2 404.511 0.476 20 0 HCADLO Cn1cc(N2CC[C@H](NC(=O)N3CC[NH+](CCOc4ccccc4)CC3)C2=O)cn1 ZINC000605231669 1073939834 /nfs/dbraw/zinc/93/98/34/1073939834.db2.gz FZRIAIZYEYDARL-IBGZPJMESA-N 1 2 412.494 0.932 20 0 HCADLO CN(CC[NH+]1CCOCC1)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605232131 1073939117 /nfs/dbraw/zinc/93/91/17/1073939117.db2.gz KKQKZUPCFJVCLY-UHFFFAOYSA-N 1 2 424.567 0.954 20 0 HCADLO COCCNS(=O)(=O)c1cccc(CNC(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000605233598 1073941357 /nfs/dbraw/zinc/94/13/57/1073941357.db2.gz QYPXJVGZFRXQGX-UHFFFAOYSA-N 1 2 414.528 0.085 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000605236293 1073942076 /nfs/dbraw/zinc/94/20/76/1073942076.db2.gz WAUMVJTZSDHGOO-UHFFFAOYSA-N 1 2 418.465 0.976 20 0 HCADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1 ZINC000605245694 1073919936 /nfs/dbraw/zinc/91/99/36/1073919936.db2.gz OZTHUWDSCBTORF-GOSISDBHSA-N 1 2 412.446 0.963 20 0 HCADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1 ZINC000605245694 1073919931 /nfs/dbraw/zinc/91/99/31/1073919931.db2.gz OZTHUWDSCBTORF-GOSISDBHSA-N 1 2 412.446 0.963 20 0 HCADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1 ZINC000605245695 1073919853 /nfs/dbraw/zinc/91/98/53/1073919853.db2.gz OZTHUWDSCBTORF-SFHVURJKSA-N 1 2 412.446 0.963 20 0 HCADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1 ZINC000605245695 1073919843 /nfs/dbraw/zinc/91/98/43/1073919843.db2.gz OZTHUWDSCBTORF-SFHVURJKSA-N 1 2 412.446 0.963 20 0 HCADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)C1 ZINC000605246045 1073919779 /nfs/dbraw/zinc/91/97/79/1073919779.db2.gz RICOAPVEEUQKBD-HNNXBMFYSA-N 1 2 418.494 0.843 20 0 HCADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)C1 ZINC000605246045 1073919766 /nfs/dbraw/zinc/91/97/66/1073919766.db2.gz RICOAPVEEUQKBD-HNNXBMFYSA-N 1 2 418.494 0.843 20 0 HCADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)C1 ZINC000605246046 1073919877 /nfs/dbraw/zinc/91/98/77/1073919877.db2.gz RICOAPVEEUQKBD-OAHLLOKOSA-N 1 2 418.494 0.843 20 0 HCADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)C1 ZINC000605246046 1073919872 /nfs/dbraw/zinc/91/98/72/1073919872.db2.gz RICOAPVEEUQKBD-OAHLLOKOSA-N 1 2 418.494 0.843 20 0 HCADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCO1 ZINC000605252176 1073928699 /nfs/dbraw/zinc/92/86/99/1073928699.db2.gz TZKYWVXHPYIFJE-BEFAXECRSA-N 1 2 418.494 0.382 20 0 HCADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCO1 ZINC000605252177 1073928538 /nfs/dbraw/zinc/92/85/38/1073928538.db2.gz TZKYWVXHPYIFJE-DNVCBOLYSA-N 1 2 418.494 0.382 20 0 HCADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCO1 ZINC000605252178 1073928711 /nfs/dbraw/zinc/92/87/11/1073928711.db2.gz TZKYWVXHPYIFJE-HNAYVOBHSA-N 1 2 418.494 0.382 20 0 HCADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCO1 ZINC000605252179 1073928646 /nfs/dbraw/zinc/92/86/46/1073928646.db2.gz TZKYWVXHPYIFJE-KXBFYZLASA-N 1 2 418.494 0.382 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000605254329 1073933106 /nfs/dbraw/zinc/93/31/06/1073933106.db2.gz HJWKYRANJGSCMT-HNNXBMFYSA-N 1 2 422.489 0.842 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000605254330 1073933061 /nfs/dbraw/zinc/93/30/61/1073933061.db2.gz HJWKYRANJGSCMT-OAHLLOKOSA-N 1 2 422.489 0.842 20 0 HCADLO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1C(N)=O ZINC000605254365 1073933828 /nfs/dbraw/zinc/93/38/28/1073933828.db2.gz JDGUVKOVPHMUEY-INIZCTEOSA-N 1 2 424.505 0.754 20 0 HCADLO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1C(N)=O ZINC000605254366 1073933769 /nfs/dbraw/zinc/93/37/69/1073933769.db2.gz JDGUVKOVPHMUEY-MRXNPFEDSA-N 1 2 424.505 0.754 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000605254420 1073934531 /nfs/dbraw/zinc/93/45/31/1073934531.db2.gz LISYCJDTCFTGTD-HNNXBMFYSA-N 1 2 410.478 0.446 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000605254421 1073934420 /nfs/dbraw/zinc/93/44/20/1073934420.db2.gz LISYCJDTCFTGTD-OAHLLOKOSA-N 1 2 410.478 0.446 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000605254467 1073934514 /nfs/dbraw/zinc/93/45/14/1073934514.db2.gz NNHKKQRZIAIDEX-INIZCTEOSA-N 1 2 424.505 0.375 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000605254468 1073934611 /nfs/dbraw/zinc/93/46/11/1073934611.db2.gz NNHKKQRZIAIDEX-MRXNPFEDSA-N 1 2 424.505 0.375 20 0 HCADLO CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000605254503 1073934446 /nfs/dbraw/zinc/93/44/46/1073934446.db2.gz PDZCURNSYZIMCQ-INIZCTEOSA-N 1 2 424.505 0.707 20 0 HCADLO CNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000605254504 1073934470 /nfs/dbraw/zinc/93/44/70/1073934470.db2.gz PDZCURNSYZIMCQ-MRXNPFEDSA-N 1 2 424.505 0.707 20 0 HCADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCC(C)(C)[NH+]3CCOCC3)ccc21 ZINC000605260306 1073935371 /nfs/dbraw/zinc/93/53/71/1073935371.db2.gz SAYZVXFBRRAYJO-UHFFFAOYSA-N 1 2 402.495 0.552 20 0 HCADLO Cc1cccn2cc(CC(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[nH+]c12 ZINC000605279142 1073949322 /nfs/dbraw/zinc/94/93/22/1073949322.db2.gz LYXWIDLBOFDGJI-UHFFFAOYSA-N 1 2 421.523 0.343 20 0 HCADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000605279753 1073950625 /nfs/dbraw/zinc/95/06/25/1073950625.db2.gz RUWPTZTZSQCLDZ-UHFFFAOYSA-N 1 2 419.507 0.644 20 0 HCADLO CC(=O)NCCNC(=O)CCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605295794 1073943571 /nfs/dbraw/zinc/94/35/71/1073943571.db2.gz BZNMBPIYIXHJCV-UHFFFAOYSA-N 1 2 403.483 0.045 20 0 HCADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCC[N@H+]3CCOC(C)(C)C3)ccc21 ZINC000605301848 1073944822 /nfs/dbraw/zinc/94/48/22/1073944822.db2.gz FSCLNRNXGNJVRY-UHFFFAOYSA-N 1 2 402.495 0.552 20 0 HCADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)ccc21 ZINC000605301848 1073944815 /nfs/dbraw/zinc/94/48/15/1073944815.db2.gz FSCLNRNXGNJVRY-UHFFFAOYSA-N 1 2 402.495 0.552 20 0 HCADLO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000605303470 1073946558 /nfs/dbraw/zinc/94/65/58/1073946558.db2.gz ABQNZUJVWLCKLL-IBGZPJMESA-N 1 2 410.482 0.933 20 0 HCADLO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000605303471 1073946295 /nfs/dbraw/zinc/94/62/95/1073946295.db2.gz ABQNZUJVWLCKLL-LJQANCHMSA-N 1 2 410.482 0.933 20 0 HCADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCC[N@H+]3CCOCC3(C)C)ccc21 ZINC000605303633 1073946395 /nfs/dbraw/zinc/94/63/95/1073946395.db2.gz MZQZLZVRUNXGIA-UHFFFAOYSA-N 1 2 402.495 0.552 20 0 HCADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCC[N@@H+]3CCOCC3(C)C)ccc21 ZINC000605303633 1073946379 /nfs/dbraw/zinc/94/63/79/1073946379.db2.gz MZQZLZVRUNXGIA-UHFFFAOYSA-N 1 2 402.495 0.552 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000605305416 1073947468 /nfs/dbraw/zinc/94/74/68/1073947468.db2.gz ILSGWOPAVSCSHW-UHFFFAOYSA-N 1 2 402.495 0.506 20 0 HCADLO O=S(=O)(N1CCOCC1)N1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000605315332 1073961439 /nfs/dbraw/zinc/96/14/39/1073961439.db2.gz CYZUUSFECOXZEF-UHFFFAOYSA-N 1 2 410.544 0.920 20 0 HCADLO O=S(=O)(N1CCOCC1)N1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000605315332 1073961429 /nfs/dbraw/zinc/96/14/29/1073961429.db2.gz CYZUUSFECOXZEF-UHFFFAOYSA-N 1 2 410.544 0.920 20 0 HCADLO O=C1C[C@H]([NH+]2CCC(NS(=O)(=O)[C@@H]3CCOC3)CC2)C(=O)N1Cc1ccccc1 ZINC000605319441 1073952585 /nfs/dbraw/zinc/95/25/85/1073952585.db2.gz VYXQPFMFFNELEG-MSOLQXFVSA-N 1 2 421.519 0.487 20 0 HCADLO O=C1C[C@@H]([NH+]2CCC(NS(=O)(=O)[C@@H]3CCOC3)CC2)C(=O)N1Cc1ccccc1 ZINC000605319442 1073952444 /nfs/dbraw/zinc/95/24/44/1073952444.db2.gz VYXQPFMFFNELEG-QZTJIDSGSA-N 1 2 421.519 0.487 20 0 HCADLO O=C1C[C@H]([NH+]2CCC(NS(=O)(=O)[C@H]3CCOC3)CC2)C(=O)N1Cc1ccccc1 ZINC000605319443 1073952767 /nfs/dbraw/zinc/95/27/67/1073952767.db2.gz VYXQPFMFFNELEG-ROUUACIJSA-N 1 2 421.519 0.487 20 0 HCADLO O=C1C[C@@H]([NH+]2CCC(NS(=O)(=O)[C@H]3CCOC3)CC2)C(=O)N1Cc1ccccc1 ZINC000605319444 1073952680 /nfs/dbraw/zinc/95/26/80/1073952680.db2.gz VYXQPFMFFNELEG-ZWKOTPCHSA-N 1 2 421.519 0.487 20 0 HCADLO O=C(NCCCCn1cc[nH+]c1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605326255 1073953406 /nfs/dbraw/zinc/95/34/06/1073953406.db2.gz UUKRAKQSUUURMF-UHFFFAOYSA-N 1 2 414.532 0.004 20 0 HCADLO Cc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1S(N)(=O)=O ZINC000605344870 1073959219 /nfs/dbraw/zinc/95/92/19/1073959219.db2.gz TZQAFKGXCAKPSE-KRWDZBQOSA-N 1 2 414.553 0.972 20 0 HCADLO Cc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1S(N)(=O)=O ZINC000605344871 1073958896 /nfs/dbraw/zinc/95/88/96/1073958896.db2.gz TZQAFKGXCAKPSE-QGZVFWFLSA-N 1 2 414.553 0.972 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1N1CCCCC1 ZINC000605378217 1073964231 /nfs/dbraw/zinc/96/42/31/1073964231.db2.gz AIQHYYGWKSSWRS-KRWDZBQOSA-N 1 2 401.511 0.735 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1N1CCCCC1 ZINC000605378218 1073964115 /nfs/dbraw/zinc/96/41/15/1073964115.db2.gz AIQHYYGWKSSWRS-QGZVFWFLSA-N 1 2 401.511 0.735 20 0 HCADLO O=C(CCc1nc(-c2ccsc2)no1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378266 1073964014 /nfs/dbraw/zinc/96/40/14/1073964014.db2.gz GLQGFNWRHBOGOG-HNNXBMFYSA-N 1 2 419.507 0.780 20 0 HCADLO O=C(CCc1nc(-c2ccsc2)no1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378267 1073964219 /nfs/dbraw/zinc/96/42/19/1073964219.db2.gz GLQGFNWRHBOGOG-OAHLLOKOSA-N 1 2 419.507 0.780 20 0 HCADLO CC(=O)N[C@@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000605378280 1073964311 /nfs/dbraw/zinc/96/43/11/1073964311.db2.gz HKVJVDJHCUDYOJ-CVEARBPZSA-N 1 2 408.524 0.365 20 0 HCADLO CC(=O)N[C@@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000605378281 1073964134 /nfs/dbraw/zinc/96/41/34/1073964134.db2.gz HKVJVDJHCUDYOJ-HOTGVXAUSA-N 1 2 408.524 0.365 20 0 HCADLO CC(=O)N[C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000605378282 1073964038 /nfs/dbraw/zinc/96/40/38/1073964038.db2.gz HKVJVDJHCUDYOJ-HZPDHXFCSA-N 1 2 408.524 0.365 20 0 HCADLO CC(=O)N[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000605378283 1073964199 /nfs/dbraw/zinc/96/41/99/1073964199.db2.gz HKVJVDJHCUDYOJ-JKSUJKDBSA-N 1 2 408.524 0.365 20 0 HCADLO O=C(CCCNC(=O)c1ccc(F)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378285 1073963981 /nfs/dbraw/zinc/96/39/81/1073963981.db2.gz HLZPTEJURUGUAV-GOSISDBHSA-N 1 2 420.485 0.385 20 0 HCADLO O=C(CCCNC(=O)c1ccc(F)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378286 1073964097 /nfs/dbraw/zinc/96/40/97/1073964097.db2.gz HLZPTEJURUGUAV-SFHVURJKSA-N 1 2 420.485 0.385 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000605378336 1073964184 /nfs/dbraw/zinc/96/41/84/1073964184.db2.gz LZLBLOJWRNOXTM-CEXWTWQISA-N 1 2 420.554 0.465 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000605378337 1073964057 /nfs/dbraw/zinc/96/40/57/1073964057.db2.gz LZLBLOJWRNOXTM-GUDVDZBRSA-N 1 2 420.554 0.465 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000605378338 1073964332 /nfs/dbraw/zinc/96/43/32/1073964332.db2.gz LZLBLOJWRNOXTM-QRVBRYPASA-N 1 2 420.554 0.465 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000605378339 1073964077 /nfs/dbraw/zinc/96/40/77/1073964077.db2.gz LZLBLOJWRNOXTM-QYZOEREBSA-N 1 2 420.554 0.465 20 0 HCADLO COc1ccc(-n2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2)cc1 ZINC000605378362 1073964149 /nfs/dbraw/zinc/96/41/49/1073964149.db2.gz OEZFXFQUMJUBEK-INIZCTEOSA-N 1 2 413.478 0.544 20 0 HCADLO COc1ccc(-n2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2)cc1 ZINC000605378363 1073964295 /nfs/dbraw/zinc/96/42/95/1073964295.db2.gz OEZFXFQUMJUBEK-MRXNPFEDSA-N 1 2 413.478 0.544 20 0 HCADLO CC(=O)N(CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000605378397 1073965204 /nfs/dbraw/zinc/96/52/04/1073965204.db2.gz QUMGGTRFIGIVOL-FQEVSTJZSA-N 1 2 416.522 0.475 20 0 HCADLO CC(=O)N(CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000605378398 1073964720 /nfs/dbraw/zinc/96/47/20/1073964720.db2.gz QUMGGTRFIGIVOL-HXUWFJFHSA-N 1 2 416.522 0.475 20 0 HCADLO COc1cccc(CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1OC ZINC000605378403 1073965950 /nfs/dbraw/zinc/96/59/50/1073965950.db2.gz RKOHSMXTQVHKFO-KRWDZBQOSA-N 1 2 405.495 0.686 20 0 HCADLO COc1cccc(CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1OC ZINC000605378404 1073965925 /nfs/dbraw/zinc/96/59/25/1073965925.db2.gz RKOHSMXTQVHKFO-QGZVFWFLSA-N 1 2 405.495 0.686 20 0 HCADLO CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378409 1073965974 /nfs/dbraw/zinc/96/59/74/1073965974.db2.gz RWSHQCVRRZRDKJ-HNNXBMFYSA-N 1 2 409.508 0.143 20 0 HCADLO CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378410 1073966043 /nfs/dbraw/zinc/96/60/43/1073966043.db2.gz RWSHQCVRRZRDKJ-OAHLLOKOSA-N 1 2 409.508 0.143 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000605378445 1073965804 /nfs/dbraw/zinc/96/58/04/1073965804.db2.gz VDCALJYYOVAMHR-GOSISDBHSA-N 1 2 400.479 0.698 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000605378446 1073965994 /nfs/dbraw/zinc/96/59/94/1073965994.db2.gz VDCALJYYOVAMHR-SFHVURJKSA-N 1 2 400.479 0.698 20 0 HCADLO CCC(=O)N[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000605378455 1073966061 /nfs/dbraw/zinc/96/60/61/1073966061.db2.gz VQYXSTKZEHAKMV-FXAWDEMLSA-N 1 2 402.495 0.303 20 0 HCADLO CCC(=O)N[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000605378456 1073965868 /nfs/dbraw/zinc/96/58/68/1073965868.db2.gz VQYXSTKZEHAKMV-PXNSSMCTSA-N 1 2 402.495 0.303 20 0 HCADLO CCC(=O)N[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000605378457 1073966085 /nfs/dbraw/zinc/96/60/85/1073966085.db2.gz VQYXSTKZEHAKMV-XLIONFOSSA-N 1 2 402.495 0.303 20 0 HCADLO CCC(=O)N[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000605378458 1073965902 /nfs/dbraw/zinc/96/59/02/1073965902.db2.gz VQYXSTKZEHAKMV-YLJYHZDGSA-N 1 2 402.495 0.303 20 0 HCADLO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378468 1073966116 /nfs/dbraw/zinc/96/61/16/1073966116.db2.gz WVCWLAZDYROAEV-ATZDWAIDSA-N 1 2 414.506 0.944 20 0 HCADLO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378469 1073965669 /nfs/dbraw/zinc/96/56/69/1073965669.db2.gz WVCWLAZDYROAEV-AYOQOUSVSA-N 1 2 414.506 0.944 20 0 HCADLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378470 1073965705 /nfs/dbraw/zinc/96/57/05/1073965705.db2.gz WVCWLAZDYROAEV-LZQZEXGQSA-N 1 2 414.506 0.944 20 0 HCADLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378471 1073966098 /nfs/dbraw/zinc/96/60/98/1073966098.db2.gz WVCWLAZDYROAEV-MNEFBYGVSA-N 1 2 414.506 0.944 20 0 HCADLO COCCCOc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000605378480 1073969709 /nfs/dbraw/zinc/96/97/09/1073969709.db2.gz XLMGRBISYNWHOK-KRWDZBQOSA-N 1 2 406.483 0.160 20 0 HCADLO COCCCOc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000605378481 1073969944 /nfs/dbraw/zinc/96/99/44/1073969944.db2.gz XLMGRBISYNWHOK-QGZVFWFLSA-N 1 2 406.483 0.160 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(NC(=O)C2CC2)c1 ZINC000605378517 1073969562 /nfs/dbraw/zinc/96/95/62/1073969562.db2.gz APESEMZKEIIFHN-SFHVURJKSA-N 1 2 400.479 0.698 20 0 HCADLO CCCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378520 1073969894 /nfs/dbraw/zinc/96/98/94/1073969894.db2.gz ASEIFPQLNYVBLH-INIZCTEOSA-N 1 2 423.535 0.533 20 0 HCADLO CCCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378521 1073969736 /nfs/dbraw/zinc/96/97/36/1073969736.db2.gz ASEIFPQLNYVBLH-MRXNPFEDSA-N 1 2 423.535 0.533 20 0 HCADLO CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378556 1073970442 /nfs/dbraw/zinc/97/04/42/1073970442.db2.gz CUQBTPITBNBKII-AEFFLSMTSA-N 1 2 403.479 0.706 20 0 HCADLO CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378557 1073970737 /nfs/dbraw/zinc/97/07/37/1073970737.db2.gz CUQBTPITBNBKII-FUHWJXTLSA-N 1 2 403.479 0.706 20 0 HCADLO CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378558 1073970376 /nfs/dbraw/zinc/97/03/76/1073970376.db2.gz CUQBTPITBNBKII-SJLPKXTDSA-N 1 2 403.479 0.706 20 0 HCADLO CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378559 1073970548 /nfs/dbraw/zinc/97/05/48/1073970548.db2.gz CUQBTPITBNBKII-WMZOPIPTSA-N 1 2 403.479 0.706 20 0 HCADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378572 1073970522 /nfs/dbraw/zinc/97/05/22/1073970522.db2.gz DLHFLNSKLJJCNC-ATZDWAIDSA-N 1 2 414.506 0.944 20 0 HCADLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378574 1073970336 /nfs/dbraw/zinc/97/03/36/1073970336.db2.gz DLHFLNSKLJJCNC-LZQZEXGQSA-N 1 2 414.506 0.944 20 0 HCADLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378575 1073970678 /nfs/dbraw/zinc/97/06/78/1073970678.db2.gz DLHFLNSKLJJCNC-MNEFBYGVSA-N 1 2 414.506 0.944 20 0 HCADLO CC(=O)N1CCc2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC000605378581 1073970763 /nfs/dbraw/zinc/97/07/63/1073970763.db2.gz DQPVQKYTCOBDAK-SFHVURJKSA-N 1 2 400.479 0.259 20 0 HCADLO Cc1c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cnn1-c1ccc(F)cc1 ZINC000605378588 1073970586 /nfs/dbraw/zinc/97/05/86/1073970586.db2.gz FDZVDVGQUULKRD-KRWDZBQOSA-N 1 2 415.469 0.983 20 0 HCADLO Cc1c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cnn1-c1ccc(F)cc1 ZINC000605378589 1073970343 /nfs/dbraw/zinc/97/03/43/1073970343.db2.gz FDZVDVGQUULKRD-QGZVFWFLSA-N 1 2 415.469 0.983 20 0 HCADLO COc1cc(OC)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000605378606 1073970494 /nfs/dbraw/zinc/97/04/94/1073970494.db2.gz FXGRQWHTHCYCSV-AWEZNQCLSA-N 1 2 407.467 0.375 20 0 HCADLO COc1cc(OC)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000605378607 1073970392 /nfs/dbraw/zinc/97/03/92/1073970392.db2.gz FXGRQWHTHCYCSV-CQSZACIVSA-N 1 2 407.467 0.375 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000605378616 1073970713 /nfs/dbraw/zinc/97/07/13/1073970713.db2.gz GNJYJZWRHGDBDT-DLBZAZTESA-N 1 2 400.479 0.089 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000605378617 1073970459 /nfs/dbraw/zinc/97/04/59/1073970459.db2.gz GNJYJZWRHGDBDT-IAGOWNOFSA-N 1 2 400.479 0.089 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000605378618 1073970624 /nfs/dbraw/zinc/97/06/24/1073970624.db2.gz GNJYJZWRHGDBDT-IRXDYDNUSA-N 1 2 400.479 0.089 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000605378619 1073970354 /nfs/dbraw/zinc/97/03/54/1073970354.db2.gz GNJYJZWRHGDBDT-SJORKVTESA-N 1 2 400.479 0.089 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OCC(F)(F)F)nc1 ZINC000605378628 1073969061 /nfs/dbraw/zinc/96/90/61/1073969061.db2.gz GWXATLINVPLDEJ-AWEZNQCLSA-N 1 2 416.400 0.686 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OCC(F)(F)F)nc1 ZINC000605378629 1073968808 /nfs/dbraw/zinc/96/88/08/1073968808.db2.gz GWXATLINVPLDEJ-CQSZACIVSA-N 1 2 416.400 0.686 20 0 HCADLO Cn1cc(-c2nc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cs2)cn1 ZINC000605378644 1073968891 /nfs/dbraw/zinc/96/88/91/1073968891.db2.gz HQFHDDIAIQBSMX-AWEZNQCLSA-N 1 2 404.496 0.207 20 0 HCADLO Cn1cc(-c2nc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cs2)cn1 ZINC000605378645 1073969215 /nfs/dbraw/zinc/96/92/15/1073969215.db2.gz HQFHDDIAIQBSMX-CQSZACIVSA-N 1 2 404.496 0.207 20 0 HCADLO CCc1c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cnn1-c1ccccn1 ZINC000605378654 1073968831 /nfs/dbraw/zinc/96/88/31/1073968831.db2.gz IEIBQUDWABMXFW-INIZCTEOSA-N 1 2 412.494 0.493 20 0 HCADLO CCc1c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cnn1-c1ccccn1 ZINC000605378655 1073969033 /nfs/dbraw/zinc/96/90/33/1073969033.db2.gz IEIBQUDWABMXFW-MRXNPFEDSA-N 1 2 412.494 0.493 20 0 HCADLO CCC(=O)c1ccc(OCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378668 1073968982 /nfs/dbraw/zinc/96/89/82/1073968982.db2.gz IRJQHEKNGVIBQO-KRWDZBQOSA-N 1 2 403.479 0.707 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc(N2CCCC2)ncc1Cl ZINC000605378700 1073969535 /nfs/dbraw/zinc/96/95/35/1073969535.db2.gz KQPILXMJHBJFEB-AWEZNQCLSA-N 1 2 422.917 0.393 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000605378708 1073969978 /nfs/dbraw/zinc/96/99/78/1073969978.db2.gz KZHNEYDYSWVBOP-GOSISDBHSA-N 1 2 418.494 0.181 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000605378709 1073969657 /nfs/dbraw/zinc/96/96/57/1073969657.db2.gz KZHNEYDYSWVBOP-SFHVURJKSA-N 1 2 418.494 0.181 20 0 HCADLO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378710 1073969688 /nfs/dbraw/zinc/96/96/88/1073969688.db2.gz LJBMIODZMDCJMA-DLBZAZTESA-N 1 2 408.543 0.463 20 0 HCADLO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378711 1073969917 /nfs/dbraw/zinc/96/99/17/1073969917.db2.gz LJBMIODZMDCJMA-IAGOWNOFSA-N 1 2 408.543 0.463 20 0 HCADLO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378712 1073969821 /nfs/dbraw/zinc/96/98/21/1073969821.db2.gz LJBMIODZMDCJMA-IRXDYDNUSA-N 1 2 408.543 0.463 20 0 HCADLO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378713 1073969606 /nfs/dbraw/zinc/96/96/06/1073969606.db2.gz LJBMIODZMDCJMA-SJORKVTESA-N 1 2 408.543 0.463 20 0 HCADLO CC1(C)Cc2cccc(OCC(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2O1 ZINC000605378720 1073969878 /nfs/dbraw/zinc/96/98/78/1073969878.db2.gz LMECRORURWUFRB-KRWDZBQOSA-N 1 2 417.506 0.828 20 0 HCADLO CC1(C)Cc2cccc(OCC(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2O1 ZINC000605378721 1073969628 /nfs/dbraw/zinc/96/96/28/1073969628.db2.gz LMECRORURWUFRB-QGZVFWFLSA-N 1 2 417.506 0.828 20 0 HCADLO Cc1oc(-c2ccco2)nc1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378746 1073969668 /nfs/dbraw/zinc/96/96/68/1073969668.db2.gz MLHTTZBSKGEKDD-HNNXBMFYSA-N 1 2 402.451 0.835 20 0 HCADLO O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378750 1073969762 /nfs/dbraw/zinc/96/97/62/1073969762.db2.gz MRGYAKDMUZTVRW-HNNXBMFYSA-N 1 2 402.451 0.034 20 0 HCADLO O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378751 1073969639 /nfs/dbraw/zinc/96/96/39/1073969639.db2.gz MRGYAKDMUZTVRW-OAHLLOKOSA-N 1 2 402.451 0.034 20 0 HCADLO O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378764 1073969589 /nfs/dbraw/zinc/96/95/89/1073969589.db2.gz NLBPEDDNYHSATJ-HNNXBMFYSA-N 1 2 419.507 0.780 20 0 HCADLO O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378765 1073969854 /nfs/dbraw/zinc/96/98/54/1073969854.db2.gz NLBPEDDNYHSATJ-OAHLLOKOSA-N 1 2 419.507 0.780 20 0 HCADLO C[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)c1ccccc1 ZINC000605378790 1073968125 /nfs/dbraw/zinc/96/81/25/1073968125.db2.gz PGDBKYMYCXVIAN-AEFFLSMTSA-N 1 2 402.495 0.244 20 0 HCADLO C[C@@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)c1ccccc1 ZINC000605378791 1073968310 /nfs/dbraw/zinc/96/83/10/1073968310.db2.gz PGDBKYMYCXVIAN-FUHWJXTLSA-N 1 2 402.495 0.244 20 0 HCADLO O=C(CSc1nc2ccccc2o1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378796 1073968366 /nfs/dbraw/zinc/96/83/66/1073968366.db2.gz PNPYROAXIKMMDP-AWEZNQCLSA-N 1 2 404.492 0.969 20 0 HCADLO O=C(CSc1nc2ccccc2o1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378797 1073968070 /nfs/dbraw/zinc/96/80/70/1073968070.db2.gz PNPYROAXIKMMDP-CQSZACIVSA-N 1 2 404.492 0.969 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(c2ccccc2)CCOCC1 ZINC000605378822 1073968267 /nfs/dbraw/zinc/96/82/67/1073968267.db2.gz RIXPKVDZKXGJTN-IBGZPJMESA-N 1 2 401.507 0.784 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(c2ccccc2)CCOCC1 ZINC000605378823 1073969184 /nfs/dbraw/zinc/96/91/84/1073969184.db2.gz RIXPKVDZKXGJTN-LJQANCHMSA-N 1 2 401.507 0.784 20 0 HCADLO Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378829 1073969165 /nfs/dbraw/zinc/96/91/65/1073969165.db2.gz ROIPOZWCLGPFHZ-QGZVFWFLSA-N 1 2 423.535 0.208 20 0 HCADLO COc1cc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1OC ZINC000605378862 1073969009 /nfs/dbraw/zinc/96/90/09/1073969009.db2.gz SSWMLUFJWAALBN-INIZCTEOSA-N 1 2 421.494 0.304 20 0 HCADLO COc1cc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1OC ZINC000605378863 1073968874 /nfs/dbraw/zinc/96/88/74/1073968874.db2.gz SSWMLUFJWAALBN-MRXNPFEDSA-N 1 2 421.494 0.304 20 0 HCADLO O=C(Cc1csc(-c2cnccn2)n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378864 1073968763 /nfs/dbraw/zinc/96/87/63/1073968763.db2.gz SVHBJSNLQBBBQR-AWEZNQCLSA-N 1 2 416.507 0.192 20 0 HCADLO O=C(Cc1csc(-c2cnccn2)n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378865 1073969084 /nfs/dbraw/zinc/96/90/84/1073969084.db2.gz SVHBJSNLQBBBQR-CQSZACIVSA-N 1 2 416.507 0.192 20 0 HCADLO Cc1ccc(CCC(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378872 1073969112 /nfs/dbraw/zinc/96/91/12/1073969112.db2.gz TTWMRPLYUUTOSH-IBGZPJMESA-N 1 2 416.522 0.093 20 0 HCADLO Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378873 1073968941 /nfs/dbraw/zinc/96/89/41/1073968941.db2.gz TTWMRPLYUUTOSH-LJQANCHMSA-N 1 2 416.522 0.093 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccn(Cc2ccccc2)c1=O ZINC000605378874 1073968920 /nfs/dbraw/zinc/96/89/20/1073968920.db2.gz TVQNKCGIYFKTLK-IBGZPJMESA-N 1 2 424.501 0.560 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccn(Cc2ccccc2)c1=O ZINC000605378875 1073969147 /nfs/dbraw/zinc/96/91/47/1073969147.db2.gz TVQNKCGIYFKTLK-LJQANCHMSA-N 1 2 424.501 0.560 20 0 HCADLO Cc1nc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000605378950 1073967508 /nfs/dbraw/zinc/96/75/08/1073967508.db2.gz YCUCILSUUGSTLW-INIZCTEOSA-N 1 2 416.457 0.378 20 0 HCADLO Cc1nc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000605378951 1073967264 /nfs/dbraw/zinc/96/72/64/1073967264.db2.gz YCUCILSUUGSTLW-MRXNPFEDSA-N 1 2 416.457 0.378 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000605378954 1073967948 /nfs/dbraw/zinc/96/79/48/1073967948.db2.gz YMUPSMWUCXQQAY-GOSISDBHSA-N 1 2 402.495 0.186 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000605378955 1073968250 /nfs/dbraw/zinc/96/82/50/1073968250.db2.gz YMUPSMWUCXQQAY-SFHVURJKSA-N 1 2 402.495 0.186 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000605378990 1073968217 /nfs/dbraw/zinc/96/82/17/1073968217.db2.gz AEQITKARMQNSDS-AZUAARDMSA-N 1 2 417.506 0.907 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000605378991 1073967985 /nfs/dbraw/zinc/96/79/85/1073967985.db2.gz AEQITKARMQNSDS-ICSRJNTNSA-N 1 2 417.506 0.907 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000605378992 1073968187 /nfs/dbraw/zinc/96/81/87/1073968187.db2.gz AEQITKARMQNSDS-QUCCMNQESA-N 1 2 417.506 0.907 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000605378993 1073968289 /nfs/dbraw/zinc/96/82/89/1073968289.db2.gz AEQITKARMQNSDS-UYAOXDASSA-N 1 2 417.506 0.907 20 0 HCADLO O=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379040 1073968017 /nfs/dbraw/zinc/96/80/17/1073968017.db2.gz CZKPCFKCGBZDIV-INIZCTEOSA-N 1 2 415.519 0.797 20 0 HCADLO O=C(Cc1csc(-c2cccnc2)n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379041 1073968383 /nfs/dbraw/zinc/96/83/83/1073968383.db2.gz CZKPCFKCGBZDIV-MRXNPFEDSA-N 1 2 415.519 0.797 20 0 HCADLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605379058 1073968341 /nfs/dbraw/zinc/96/83/41/1073968341.db2.gz FNYAEFPTUJDSIR-BZSNNMDCSA-N 1 2 408.543 0.320 20 0 HCADLO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605379059 1073968041 /nfs/dbraw/zinc/96/80/41/1073968041.db2.gz FNYAEFPTUJDSIR-KSZLIROESA-N 1 2 408.543 0.320 20 0 HCADLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605379060 1073968354 /nfs/dbraw/zinc/96/83/54/1073968354.db2.gz FNYAEFPTUJDSIR-OKZBNKHCSA-N 1 2 408.543 0.320 20 0 HCADLO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605379061 1073968096 /nfs/dbraw/zinc/96/80/96/1073968096.db2.gz FNYAEFPTUJDSIR-RCCFBDPRSA-N 1 2 408.543 0.320 20 0 HCADLO COc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379087 1073967402 /nfs/dbraw/zinc/96/74/02/1073967402.db2.gz HEUBMRLZLFKGCI-MRXNPFEDSA-N 1 2 413.478 0.544 20 0 HCADLO O=C(Cc1csc(-c2ccccn2)n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379170 1073967411 /nfs/dbraw/zinc/96/74/11/1073967411.db2.gz KXJDVDXZMQULPF-HNNXBMFYSA-N 1 2 415.519 0.797 20 0 HCADLO O=C(Cc1csc(-c2ccccn2)n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379171 1073967629 /nfs/dbraw/zinc/96/76/29/1073967629.db2.gz KXJDVDXZMQULPF-OAHLLOKOSA-N 1 2 415.519 0.797 20 0 HCADLO CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605379172 1073967460 /nfs/dbraw/zinc/96/74/60/1073967460.db2.gz LKRVIDFASGWJFL-DLBZAZTESA-N 1 2 408.543 0.320 20 0 HCADLO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605379173 1073967349 /nfs/dbraw/zinc/96/73/49/1073967349.db2.gz LKRVIDFASGWJFL-IAGOWNOFSA-N 1 2 408.543 0.320 20 0 HCADLO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605379175 1073967482 /nfs/dbraw/zinc/96/74/82/1073967482.db2.gz LKRVIDFASGWJFL-SJORKVTESA-N 1 2 408.543 0.320 20 0 HCADLO O=C(CSc1ccc2c(c1)OCCO2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379184 1073967363 /nfs/dbraw/zinc/96/73/63/1073967363.db2.gz MJLQJKVCCUJIEL-HNNXBMFYSA-N 1 2 421.519 0.599 20 0 HCADLO O=C(CSc1ccc2c(c1)OCCO2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379185 1073967441 /nfs/dbraw/zinc/96/74/41/1073967441.db2.gz MJLQJKVCCUJIEL-OAHLLOKOSA-N 1 2 421.519 0.599 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000605379188 1073967532 /nfs/dbraw/zinc/96/75/32/1073967532.db2.gz MMZOUGXPXCJGNY-CVEARBPZSA-N 1 2 420.535 0.402 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000605379189 1073967289 /nfs/dbraw/zinc/96/72/89/1073967289.db2.gz MMZOUGXPXCJGNY-HOTGVXAUSA-N 1 2 420.535 0.402 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000605379224 1073966528 /nfs/dbraw/zinc/96/65/28/1073966528.db2.gz OMEMRIMLUPZGEI-IBGZPJMESA-N 1 2 419.497 0.923 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000605379225 1073966767 /nfs/dbraw/zinc/96/67/67/1073966767.db2.gz OMEMRIMLUPZGEI-LJQANCHMSA-N 1 2 419.497 0.923 20 0 HCADLO Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379242 1073966843 /nfs/dbraw/zinc/96/68/43/1073966843.db2.gz PJZYDFCGRMBUSL-KRWDZBQOSA-N 1 2 414.510 0.984 20 0 HCADLO Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379243 1073966652 /nfs/dbraw/zinc/96/66/52/1073966652.db2.gz PJZYDFCGRMBUSL-QGZVFWFLSA-N 1 2 414.510 0.984 20 0 HCADLO O=C(CCc1cnn(-c2ccccc2)c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379310 1073966787 /nfs/dbraw/zinc/96/67/87/1073966787.db2.gz SGFKJVIUCRHJCD-IBGZPJMESA-N 1 2 411.506 0.854 20 0 HCADLO O=C(CCc1cnn(-c2ccccc2)c1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379311 1073967615 /nfs/dbraw/zinc/96/76/15/1073967615.db2.gz SGFKJVIUCRHJCD-LJQANCHMSA-N 1 2 411.506 0.854 20 0 HCADLO Cc1c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnn1-c1ccc(C)cc1 ZINC000605379326 1073967334 /nfs/dbraw/zinc/96/73/34/1073967334.db2.gz SQCDCJYODHCGRM-KRWDZBQOSA-N 1 2 412.494 0.547 20 0 HCADLO Cc1c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnn1-c1ccc(C)cc1 ZINC000605379327 1073967562 /nfs/dbraw/zinc/96/75/62/1073967562.db2.gz SQCDCJYODHCGRM-QGZVFWFLSA-N 1 2 412.494 0.547 20 0 HCADLO CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379350 1073967584 /nfs/dbraw/zinc/96/75/84/1073967584.db2.gz UHJFLZLAQYPZGL-INIZCTEOSA-N 1 2 423.535 0.532 20 0 HCADLO CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379351 1073967312 /nfs/dbraw/zinc/96/73/12/1073967312.db2.gz UHJFLZLAQYPZGL-MRXNPFEDSA-N 1 2 423.535 0.532 20 0 HCADLO COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000605379356 1073966827 /nfs/dbraw/zinc/96/68/27/1073966827.db2.gz ULTIPOIHISYZOH-DLBZAZTESA-N 1 2 403.479 0.296 20 0 HCADLO COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000605379357 1073966672 /nfs/dbraw/zinc/96/66/72/1073966672.db2.gz ULTIPOIHISYZOH-IAGOWNOFSA-N 1 2 403.479 0.296 20 0 HCADLO COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000605379358 1073966744 /nfs/dbraw/zinc/96/67/44/1073966744.db2.gz ULTIPOIHISYZOH-IRXDYDNUSA-N 1 2 403.479 0.296 20 0 HCADLO COc1ccc2c(c1)OC[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000605379359 1073966613 /nfs/dbraw/zinc/96/66/13/1073966613.db2.gz ULTIPOIHISYZOH-SJORKVTESA-N 1 2 403.479 0.296 20 0 HCADLO CCN(CC)C(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000605379362 1073966716 /nfs/dbraw/zinc/96/67/16/1073966716.db2.gz VFDFAEMMRRTXCQ-GOSISDBHSA-N 1 2 423.558 0.210 20 0 HCADLO CCN(CC)C(=O)N1CCC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000605379363 1073966810 /nfs/dbraw/zinc/96/68/10/1073966810.db2.gz VFDFAEMMRRTXCQ-SFHVURJKSA-N 1 2 423.558 0.210 20 0 HCADLO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379366 1073966559 /nfs/dbraw/zinc/96/65/59/1073966559.db2.gz VMLIKCWKWPXSGT-MSOLQXFVSA-N 1 2 414.506 0.627 20 0 HCADLO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379367 1073966797 /nfs/dbraw/zinc/96/67/97/1073966797.db2.gz VMLIKCWKWPXSGT-QZTJIDSGSA-N 1 2 414.506 0.627 20 0 HCADLO O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379368 1073966700 /nfs/dbraw/zinc/96/67/00/1073966700.db2.gz VMLIKCWKWPXSGT-ROUUACIJSA-N 1 2 414.506 0.627 20 0 HCADLO O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379369 1073966818 /nfs/dbraw/zinc/96/68/18/1073966818.db2.gz VMLIKCWKWPXSGT-ZWKOTPCHSA-N 1 2 414.506 0.627 20 0 HCADLO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cn2)n1 ZINC000605379372 1073966634 /nfs/dbraw/zinc/96/66/34/1073966634.db2.gz WHGINUSIAUGEST-GOSISDBHSA-N 1 2 412.494 0.547 20 0 HCADLO Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cn2)n1 ZINC000605379373 1073966734 /nfs/dbraw/zinc/96/67/34/1073966734.db2.gz WHGINUSIAUGEST-SFHVURJKSA-N 1 2 412.494 0.547 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccn(-c2cccc(F)c2)n1 ZINC000605379384 1073970656 /nfs/dbraw/zinc/97/06/56/1073970656.db2.gz WQOHQHSEQBLXRR-INIZCTEOSA-N 1 2 401.442 0.674 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccn(-c2cccc(F)c2)n1 ZINC000605379385 1073970326 /nfs/dbraw/zinc/97/03/26/1073970326.db2.gz WQOHQHSEQBLXRR-MRXNPFEDSA-N 1 2 401.442 0.674 20 0 HCADLO COc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1OC ZINC000605379401 1073971493 /nfs/dbraw/zinc/97/14/93/1073971493.db2.gz XMLLNSPZFJPQAH-OAHLLOKOSA-N 1 2 407.467 0.375 20 0 HCADLO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379406 1073971465 /nfs/dbraw/zinc/97/14/65/1073971465.db2.gz XROPUERQNFEDKK-CRAIPNDOSA-N 1 2 406.483 0.083 20 0 HCADLO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379407 1073971317 /nfs/dbraw/zinc/97/13/17/1073971317.db2.gz XROPUERQNFEDKK-MAUKXSAKSA-N 1 2 406.483 0.083 20 0 HCADLO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379408 1073971560 /nfs/dbraw/zinc/97/15/60/1073971560.db2.gz XROPUERQNFEDKK-QAPCUYQASA-N 1 2 406.483 0.083 20 0 HCADLO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379409 1073971384 /nfs/dbraw/zinc/97/13/84/1073971384.db2.gz XROPUERQNFEDKK-YJBOKZPZSA-N 1 2 406.483 0.083 20 0 HCADLO O=C(CCc1nc(-c2ccncc2)no1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379436 1073971453 /nfs/dbraw/zinc/97/14/53/1073971453.db2.gz ZFSZHKGFKARVBT-INIZCTEOSA-N 1 2 414.466 0.114 20 0 HCADLO O=C(CCc1nc(-c2ccncc2)no1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379437 1073971526 /nfs/dbraw/zinc/97/15/26/1073971526.db2.gz ZFSZHKGFKARVBT-MRXNPFEDSA-N 1 2 414.466 0.114 20 0 HCADLO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379450 1073971473 /nfs/dbraw/zinc/97/14/73/1073971473.db2.gz ZQHBEKYIRRSNJP-GOSISDBHSA-N 1 2 405.543 0.748 20 0 HCADLO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379451 1073971250 /nfs/dbraw/zinc/97/12/50/1073971250.db2.gz ZQHBEKYIRRSNJP-SFHVURJKSA-N 1 2 405.543 0.748 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccn(-c2ccccc2F)n1 ZINC000605379454 1073971542 /nfs/dbraw/zinc/97/15/42/1073971542.db2.gz ZWJGFWBOECPLHV-HNNXBMFYSA-N 1 2 401.442 0.674 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000605392348 1073983813 /nfs/dbraw/zinc/98/38/13/1073983813.db2.gz BJDIYYZLVKGLGA-UHFFFAOYSA-N 1 2 421.523 0.892 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000605392679 1073984482 /nfs/dbraw/zinc/98/44/82/1073984482.db2.gz PRXYCPUXIUKFMM-UHFFFAOYSA-N 1 2 419.507 0.798 20 0 HCADLO CC1(C)C(=O)NC(=O)N1CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000605400021 1073986630 /nfs/dbraw/zinc/98/66/30/1073986630.db2.gz ZZEPWQRPWLDNLJ-UHFFFAOYSA-N 1 2 401.467 0.536 20 0 HCADLO CC(C)Nc1ncccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000605400840 1073987207 /nfs/dbraw/zinc/98/72/07/1073987207.db2.gz GHSGGEGUJOIKKO-UHFFFAOYSA-N 1 2 410.544 0.152 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000605419824 1073980255 /nfs/dbraw/zinc/98/02/55/1073980255.db2.gz NQCITDWBQHFNPF-KRWDZBQOSA-N 1 2 414.506 0.938 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000605419824 1073980246 /nfs/dbraw/zinc/98/02/46/1073980246.db2.gz NQCITDWBQHFNPF-KRWDZBQOSA-N 1 2 414.506 0.938 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+]2CCC[C@H](CCO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000605419825 1073980412 /nfs/dbraw/zinc/98/04/12/1073980412.db2.gz NQCITDWBQHFNPF-QGZVFWFLSA-N 1 2 414.506 0.938 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000605419825 1073980405 /nfs/dbraw/zinc/98/04/05/1073980405.db2.gz NQCITDWBQHFNPF-QGZVFWFLSA-N 1 2 414.506 0.938 20 0 HCADLO Cc1nnc(CN2CC[NH+]([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)[nH]1 ZINC000605422238 1073981827 /nfs/dbraw/zinc/98/18/27/1073981827.db2.gz RDFFFNMCRRTQFC-HNNXBMFYSA-N 1 2 415.498 0.197 20 0 HCADLO Cc1nnc(CN2CC[NH+]([C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)[nH]1 ZINC000605422239 1073981657 /nfs/dbraw/zinc/98/16/57/1073981657.db2.gz RDFFFNMCRRTQFC-OAHLLOKOSA-N 1 2 415.498 0.197 20 0 HCADLO Cc1nc(CN2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)n[nH]1 ZINC000605422259 1073981683 /nfs/dbraw/zinc/98/16/83/1073981683.db2.gz SIAXUSGSLXQNTK-UHFFFAOYSA-N 1 2 419.574 0.382 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@@H+](CCCO)C2CC2)c(N)n(Cc2ccccc2)c1=O ZINC000605422283 1073981125 /nfs/dbraw/zinc/98/11/25/1073981125.db2.gz TZRKZMPOKUQBIO-UHFFFAOYSA-N 1 2 400.479 0.690 20 0 HCADLO CCn1c(=O)c(C(=O)C[N@H+](CCCO)C2CC2)c(N)n(Cc2ccccc2)c1=O ZINC000605422283 1073981115 /nfs/dbraw/zinc/98/11/15/1073981115.db2.gz TZRKZMPOKUQBIO-UHFFFAOYSA-N 1 2 400.479 0.690 20 0 HCADLO Cc1nnc(CN2CCN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CC2)[nH]1 ZINC000605422630 1073982608 /nfs/dbraw/zinc/98/26/08/1073982608.db2.gz MWPAVZSHAKVYBT-UHFFFAOYSA-N 1 2 413.526 0.702 20 0 HCADLO CNS(=O)(=O)c1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000605428842 1074001009 /nfs/dbraw/zinc/00/10/09/1074001009.db2.gz IMGPXQZVAUIXCW-KRWDZBQOSA-N 1 2 414.553 0.924 20 0 HCADLO CNS(=O)(=O)c1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000605428843 1074001260 /nfs/dbraw/zinc/00/12/60/1074001260.db2.gz IMGPXQZVAUIXCW-QGZVFWFLSA-N 1 2 414.553 0.924 20 0 HCADLO O=C(NCCc1nnc2n1CCCCC2)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000605429444 1074002811 /nfs/dbraw/zinc/00/28/11/1074002811.db2.gz GVRVPTJBVBUHAS-UHFFFAOYSA-N 1 2 402.503 0.897 20 0 HCADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000605429550 1074002724 /nfs/dbraw/zinc/00/27/24/1074002724.db2.gz VIQZMZUXKXFWCF-UHFFFAOYSA-N 1 2 419.530 0.971 20 0 HCADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000605429725 1074003020 /nfs/dbraw/zinc/00/30/20/1074003020.db2.gz QCMITRINPAWVHP-UHFFFAOYSA-N 1 2 402.455 0.798 20 0 HCADLO O=S(=O)(c1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1)N1CCOCC1 ZINC000605432900 1073993807 /nfs/dbraw/zinc/99/38/07/1073993807.db2.gz HVNAGPSSZRBERY-UHFFFAOYSA-N 1 2 419.507 0.946 20 0 HCADLO O=S(=O)(c1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1)N1CCOCC1 ZINC000605432900 1073993792 /nfs/dbraw/zinc/99/37/92/1073993792.db2.gz HVNAGPSSZRBERY-UHFFFAOYSA-N 1 2 419.507 0.946 20 0 HCADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000605436064 1073995319 /nfs/dbraw/zinc/99/53/19/1073995319.db2.gz JBASAXRBASMOJJ-KRWDZBQOSA-N 1 2 405.543 0.870 20 0 HCADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000605436091 1073995282 /nfs/dbraw/zinc/99/52/82/1073995282.db2.gz JBASAXRBASMOJJ-QGZVFWFLSA-N 1 2 405.543 0.870 20 0 HCADLO O=C(CN1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1)NCc1ccccc1 ZINC000605436263 1073995388 /nfs/dbraw/zinc/99/53/88/1073995388.db2.gz RRIVIRQKGRLTRX-UHFFFAOYSA-N 1 2 413.522 0.785 20 0 HCADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000605437096 1073995888 /nfs/dbraw/zinc/99/58/88/1073995888.db2.gz KTDPDJNQZMZDHG-HDICACEKSA-N 1 2 419.570 0.973 20 0 HCADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000605437112 1073995926 /nfs/dbraw/zinc/99/59/26/1073995926.db2.gz KTDPDJNQZMZDHG-QZTJIDSGSA-N 1 2 419.570 0.973 20 0 HCADLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000605437113 1073996128 /nfs/dbraw/zinc/99/61/28/1073996128.db2.gz KTDPDJNQZMZDHG-ROUUACIJSA-N 1 2 419.570 0.973 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)NC(=O)CS2 ZINC000605440368 1073997243 /nfs/dbraw/zinc/99/72/43/1073997243.db2.gz AWEZYDPTYQLRLT-AWEZNQCLSA-N 1 2 404.492 0.394 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)NC(=O)CS2 ZINC000605440369 1073997469 /nfs/dbraw/zinc/99/74/69/1073997469.db2.gz AWEZYDPTYQLRLT-CQSZACIVSA-N 1 2 404.492 0.394 20 0 HCADLO COc1ccc2c(ccn2CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605440372 1073997112 /nfs/dbraw/zinc/99/71/12/1073997112.db2.gz BDEBDBUTCGPPEM-KRWDZBQOSA-N 1 2 400.479 0.699 20 0 HCADLO COc1ccc2c(ccn2CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605440376 1073997314 /nfs/dbraw/zinc/99/73/14/1073997314.db2.gz BDEBDBUTCGPPEM-QGZVFWFLSA-N 1 2 400.479 0.699 20 0 HCADLO O=C(CNC(=O)c1cccc(Cl)c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440437 1073997431 /nfs/dbraw/zinc/99/74/31/1073997431.db2.gz DVROPQGBAQGNNX-INIZCTEOSA-N 1 2 408.886 0.119 20 0 HCADLO O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440441 1073997154 /nfs/dbraw/zinc/99/71/54/1073997154.db2.gz DVROPQGBAQGNNX-MRXNPFEDSA-N 1 2 408.886 0.119 20 0 HCADLO CC(=O)N[C@@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000605440515 1073997461 /nfs/dbraw/zinc/99/74/61/1073997461.db2.gz IQWBBPNZEJBEPU-OALUTQOASA-N 1 2 402.495 0.303 20 0 HCADLO CC(=O)N[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000605440516 1073997369 /nfs/dbraw/zinc/99/73/69/1073997369.db2.gz IQWBBPNZEJBEPU-RBUKOAKNSA-N 1 2 402.495 0.303 20 0 HCADLO CC(=O)N[C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000605440517 1073997195 /nfs/dbraw/zinc/99/71/95/1073997195.db2.gz IQWBBPNZEJBEPU-RTBURBONSA-N 1 2 402.495 0.303 20 0 HCADLO O=C(CCc1nc(-c2ccco2)no1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440520 1073997916 /nfs/dbraw/zinc/99/79/16/1073997916.db2.gz ISYUUEDHYYOQES-AWEZNQCLSA-N 1 2 403.439 0.312 20 0 HCADLO O=C(CCc1nc(-c2ccco2)no1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440543 1073998877 /nfs/dbraw/zinc/99/88/77/1073998877.db2.gz ISYUUEDHYYOQES-CQSZACIVSA-N 1 2 403.439 0.312 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000605440637 1073998854 /nfs/dbraw/zinc/99/88/54/1073998854.db2.gz KTXKRVIPAQIRPA-INIZCTEOSA-N 1 2 401.442 0.879 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000605440642 1073998764 /nfs/dbraw/zinc/99/87/64/1073998764.db2.gz KTXKRVIPAQIRPA-MRXNPFEDSA-N 1 2 401.442 0.879 20 0 HCADLO CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440651 1073998710 /nfs/dbraw/zinc/99/87/10/1073998710.db2.gz KWOZCMBNEOMVJO-HKUYNNGSSA-N 1 2 400.479 0.014 20 0 HCADLO CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440652 1073998573 /nfs/dbraw/zinc/99/85/73/1073998573.db2.gz KWOZCMBNEOMVJO-MJGOQNOKSA-N 1 2 400.479 0.014 20 0 HCADLO O=C(Nc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1)NC1CC1 ZINC000605440689 1073998035 /nfs/dbraw/zinc/99/80/35/1073998035.db2.gz MHLPODXZKYONAK-GOSISDBHSA-N 1 2 415.494 0.633 20 0 HCADLO O=C(Nc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1)NC1CC1 ZINC000605440693 1073998126 /nfs/dbraw/zinc/99/81/26/1073998126.db2.gz MHLPODXZKYONAK-SFHVURJKSA-N 1 2 415.494 0.633 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000605440904 1073998020 /nfs/dbraw/zinc/99/80/20/1073998020.db2.gz UHQGWELZTAPJJG-KRWDZBQOSA-N 1 2 400.479 0.476 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000605440906 1073998682 /nfs/dbraw/zinc/99/86/82/1073998682.db2.gz UHQGWELZTAPJJG-QGZVFWFLSA-N 1 2 400.479 0.476 20 0 HCADLO O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440981 1073998088 /nfs/dbraw/zinc/99/80/88/1073998088.db2.gz XRKHBFDEZMEAPM-HNNXBMFYSA-N 1 2 413.478 0.317 20 0 HCADLO O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440982 1073998169 /nfs/dbraw/zinc/99/81/69/1073998169.db2.gz XRKHBFDEZMEAPM-OAHLLOKOSA-N 1 2 413.478 0.317 20 0 HCADLO C[C@H](CNC(=O)CNC(=O)c1ccc(Br)s1)[NH+]1CCN(C)CC1 ZINC000605441556 1073998659 /nfs/dbraw/zinc/99/86/59/1073998659.db2.gz WYIGJBNUBTUOED-LLVKDONJSA-N 1 2 403.346 0.993 20 0 HCADLO C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)s1)[NH+]1CCN(C)CC1 ZINC000605441566 1073998949 /nfs/dbraw/zinc/99/89/49/1073998949.db2.gz WYIGJBNUBTUOED-NSHDSACASA-N 1 2 403.346 0.993 20 0 HCADLO CS(=O)(=O)c1nc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c2ccccn21 ZINC000605486098 1074006925 /nfs/dbraw/zinc/00/69/25/1074006925.db2.gz BXHBURDRNBCNKL-UHFFFAOYSA-N 1 2 406.508 0.922 20 0 HCADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000605518814 1074009831 /nfs/dbraw/zinc/00/98/31/1074009831.db2.gz YUMYJSXBWRJOPN-UHFFFAOYSA-N 1 2 403.508 0.869 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(CN2CCCCC2=O)CC1 ZINC000605526553 1074011240 /nfs/dbraw/zinc/01/12/40/1074011240.db2.gz UNYWEBVNZKCYAB-IBGZPJMESA-N 1 2 420.554 0.418 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(CN2CCCCC2=O)CC1 ZINC000605526562 1074011117 /nfs/dbraw/zinc/01/11/17/1074011117.db2.gz UNYWEBVNZKCYAB-LJQANCHMSA-N 1 2 420.554 0.418 20 0 HCADLO COc1ccc(COCCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528338 1074011656 /nfs/dbraw/zinc/01/16/56/1074011656.db2.gz AJNKYCDYZHXUAT-GOSISDBHSA-N 1 2 405.495 0.651 20 0 HCADLO COc1ccc(COCCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528339 1074011732 /nfs/dbraw/zinc/01/17/32/1074011732.db2.gz AJNKYCDYZHXUAT-SFHVURJKSA-N 1 2 405.495 0.651 20 0 HCADLO COCCn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000605528395 1074011817 /nfs/dbraw/zinc/01/18/17/1074011817.db2.gz DAHVCBZHPCVXGU-KRWDZBQOSA-N 1 2 414.506 0.951 20 0 HCADLO COCCn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000605528398 1074011714 /nfs/dbraw/zinc/01/17/14/1074011714.db2.gz DAHVCBZHPCVXGU-QGZVFWFLSA-N 1 2 414.506 0.951 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000605528402 1074011540 /nfs/dbraw/zinc/01/15/40/1074011540.db2.gz DBYPRYPANSBVCD-INIZCTEOSA-N 1 2 414.462 0.003 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000605528404 1074011698 /nfs/dbraw/zinc/01/16/98/1074011698.db2.gz DBYPRYPANSBVCD-MRXNPFEDSA-N 1 2 414.462 0.003 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000605528433 1074010939 /nfs/dbraw/zinc/01/09/39/1074010939.db2.gz DJUJKSQJTUQAFK-AEFFLSMTSA-N 1 2 418.469 0.228 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000605528440 1074010971 /nfs/dbraw/zinc/01/09/71/1074010971.db2.gz DJUJKSQJTUQAFK-FUHWJXTLSA-N 1 2 418.469 0.228 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000605528442 1074011221 /nfs/dbraw/zinc/01/12/21/1074011221.db2.gz DJUJKSQJTUQAFK-SJLPKXTDSA-N 1 2 418.469 0.228 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000605528443 1074010872 /nfs/dbraw/zinc/01/08/72/1074010872.db2.gz DJUJKSQJTUQAFK-WMZOPIPTSA-N 1 2 418.469 0.228 20 0 HCADLO Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC000605528464 1074011166 /nfs/dbraw/zinc/01/11/66/1074011166.db2.gz FAXDADMNJLSEPD-INIZCTEOSA-N 1 2 409.508 0.061 20 0 HCADLO Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC000605528471 1074010890 /nfs/dbraw/zinc/01/08/90/1074010890.db2.gz FAXDADMNJLSEPD-MRXNPFEDSA-N 1 2 409.508 0.061 20 0 HCADLO CC(=O)CCc1ccc(OCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528477 1074011141 /nfs/dbraw/zinc/01/11/41/1074011141.db2.gz FEXBCXNTFPHSLJ-IBGZPJMESA-N 1 2 417.506 0.636 20 0 HCADLO CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528480 1074011185 /nfs/dbraw/zinc/01/11/85/1074011185.db2.gz FEXBCXNTFPHSLJ-LJQANCHMSA-N 1 2 417.506 0.636 20 0 HCADLO C[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)C1CCCCC1 ZINC000605528482 1074011066 /nfs/dbraw/zinc/01/10/66/1074011066.db2.gz FICRPNPHKWQINO-AEFFLSMTSA-N 1 2 408.543 0.511 20 0 HCADLO C[C@@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)C1CCCCC1 ZINC000605528487 1074011212 /nfs/dbraw/zinc/01/12/12/1074011212.db2.gz FICRPNPHKWQINO-FUHWJXTLSA-N 1 2 408.543 0.511 20 0 HCADLO C[C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)C1CCCCC1 ZINC000605528488 1074011029 /nfs/dbraw/zinc/01/10/29/1074011029.db2.gz FICRPNPHKWQINO-SJLPKXTDSA-N 1 2 408.543 0.511 20 0 HCADLO C[C@@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)C1CCCCC1 ZINC000605528489 1074011261 /nfs/dbraw/zinc/01/12/61/1074011261.db2.gz FICRPNPHKWQINO-WMZOPIPTSA-N 1 2 408.543 0.511 20 0 HCADLO O=C(CCc1nnc(-c2ccccc2)o1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528493 1074011094 /nfs/dbraw/zinc/01/10/94/1074011094.db2.gz FTCRRYTXESNGAJ-KRWDZBQOSA-N 1 2 413.478 0.719 20 0 HCADLO O=C(CCc1nnc(-c2ccccc2)o1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528494 1074011230 /nfs/dbraw/zinc/01/12/30/1074011230.db2.gz FTCRRYTXESNGAJ-QGZVFWFLSA-N 1 2 413.478 0.719 20 0 HCADLO O=C(Cc1coc(-c2cccs2)n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528495 1074011565 /nfs/dbraw/zinc/01/15/65/1074011565.db2.gz FULJEMNMLSHJBQ-AWEZNQCLSA-N 1 2 404.492 0.995 20 0 HCADLO O=C(Cc1coc(-c2cccs2)n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528496 1074011449 /nfs/dbraw/zinc/01/14/49/1074011449.db2.gz FULJEMNMLSHJBQ-CQSZACIVSA-N 1 2 404.492 0.995 20 0 HCADLO COc1cc2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[nH]c2cc1OC ZINC000605528711 1074013780 /nfs/dbraw/zinc/01/37/80/1074013780.db2.gz HCDJYJDZMOQQMI-HNNXBMFYSA-N 1 2 416.478 0.848 20 0 HCADLO COc1cc2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[nH]c2cc1OC ZINC000605528712 1074013421 /nfs/dbraw/zinc/01/34/21/1074013421.db2.gz HCDJYJDZMOQQMI-OAHLLOKOSA-N 1 2 416.478 0.848 20 0 HCADLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528725 1074013269 /nfs/dbraw/zinc/01/32/69/1074013269.db2.gz IMANBFPJZUXDPP-PBHICJAKSA-N 1 2 422.913 0.508 20 0 HCADLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528726 1074013176 /nfs/dbraw/zinc/01/31/76/1074013176.db2.gz IMANBFPJZUXDPP-RHSMWYFYSA-N 1 2 422.913 0.508 20 0 HCADLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528727 1074013459 /nfs/dbraw/zinc/01/34/59/1074013459.db2.gz IMANBFPJZUXDPP-WMLDXEAASA-N 1 2 422.913 0.508 20 0 HCADLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528728 1074013292 /nfs/dbraw/zinc/01/32/92/1074013292.db2.gz IMANBFPJZUXDPP-YOEHRIQHSA-N 1 2 422.913 0.508 20 0 HCADLO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528745 1074013210 /nfs/dbraw/zinc/01/32/10/1074013210.db2.gz KELKCBKYFYBSIN-AEFFLSMTSA-N 1 2 408.543 0.511 20 0 HCADLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528746 1074013347 /nfs/dbraw/zinc/01/33/47/1074013347.db2.gz KELKCBKYFYBSIN-FUHWJXTLSA-N 1 2 408.543 0.511 20 0 HCADLO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528747 1074013480 /nfs/dbraw/zinc/01/34/80/1074013480.db2.gz KELKCBKYFYBSIN-SJLPKXTDSA-N 1 2 408.543 0.511 20 0 HCADLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528748 1074013158 /nfs/dbraw/zinc/01/31/58/1074013158.db2.gz KELKCBKYFYBSIN-WMZOPIPTSA-N 1 2 408.543 0.511 20 0 HCADLO CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528765 1074013396 /nfs/dbraw/zinc/01/33/96/1074013396.db2.gz KYCRHCFRYLYFRJ-GOSISDBHSA-N 1 2 402.495 0.944 20 0 HCADLO CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528766 1074013509 /nfs/dbraw/zinc/01/35/09/1074013509.db2.gz KYCRHCFRYLYFRJ-SFHVURJKSA-N 1 2 402.495 0.944 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc(-c2ccccn2)s1 ZINC000605528789 1074013320 /nfs/dbraw/zinc/01/33/20/1074013320.db2.gz LZJNYSKKSLXYNA-AWEZNQCLSA-N 1 2 401.492 0.868 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc(-c2ccccn2)s1 ZINC000605528790 1074013375 /nfs/dbraw/zinc/01/33/75/1074013375.db2.gz LZJNYSKKSLXYNA-CQSZACIVSA-N 1 2 401.492 0.868 20 0 HCADLO O=C(CN1C(=O)CCc2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528793 1074013230 /nfs/dbraw/zinc/01/32/30/1074013230.db2.gz MBYARNAECXIHAF-KRWDZBQOSA-N 1 2 400.479 0.015 20 0 HCADLO O=C(CN1C(=O)CCc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528794 1074013130 /nfs/dbraw/zinc/01/31/30/1074013130.db2.gz MBYARNAECXIHAF-QGZVFWFLSA-N 1 2 400.479 0.015 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000605528799 1074013253 /nfs/dbraw/zinc/01/32/53/1074013253.db2.gz MDKSCRITLDCEHJ-GDBMZVCRSA-N 1 2 404.442 0.301 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000605528800 1074013536 /nfs/dbraw/zinc/01/35/36/1074013536.db2.gz MDKSCRITLDCEHJ-GOEBONIOSA-N 1 2 404.442 0.301 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000605528801 1074013987 /nfs/dbraw/zinc/01/39/87/1074013987.db2.gz MDKSCRITLDCEHJ-HOCLYGCPSA-N 1 2 404.442 0.301 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000605528802 1074014087 /nfs/dbraw/zinc/01/40/87/1074014087.db2.gz MDKSCRITLDCEHJ-ZBFHGGJFSA-N 1 2 404.442 0.301 20 0 HCADLO CSc1nc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccn21 ZINC000605528957 1074012919 /nfs/dbraw/zinc/01/29/19/1074012919.db2.gz NLSOCUZRDKLKCX-AWEZNQCLSA-N 1 2 403.508 0.719 20 0 HCADLO CSc1nc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccn21 ZINC000605528958 1074012839 /nfs/dbraw/zinc/01/28/39/1074012839.db2.gz NLSOCUZRDKLKCX-CQSZACIVSA-N 1 2 403.508 0.719 20 0 HCADLO Cc1c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnn1-c1cccc(C)c1 ZINC000605528969 1074012708 /nfs/dbraw/zinc/01/27/08/1074012708.db2.gz NVPGJUWSJJCEMT-KRWDZBQOSA-N 1 2 412.494 0.547 20 0 HCADLO Cc1c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnn1-c1cccc(C)c1 ZINC000605528970 1074012620 /nfs/dbraw/zinc/01/26/20/1074012620.db2.gz NVPGJUWSJJCEMT-QGZVFWFLSA-N 1 2 412.494 0.547 20 0 HCADLO O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528991 1074013192 /nfs/dbraw/zinc/01/31/92/1074013192.db2.gz OSPGBGBITIRWMD-INIZCTEOSA-N 1 2 415.494 0.641 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)CCCC(=O)N2 ZINC000605529017 1074012677 /nfs/dbraw/zinc/01/26/77/1074012677.db2.gz QAUOMLKCEVCFKV-KRWDZBQOSA-N 1 2 400.479 0.624 20 0 HCADLO COc1ccc(C(=O)CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605529037 1074012886 /nfs/dbraw/zinc/01/28/86/1074012886.db2.gz AMOZFVHPJFSEFA-KRWDZBQOSA-N 1 2 403.479 0.707 20 0 HCADLO COc1ccc(C(=O)CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605529038 1074012793 /nfs/dbraw/zinc/01/27/93/1074012793.db2.gz AMOZFVHPJFSEFA-QGZVFWFLSA-N 1 2 403.479 0.707 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000605529085 1074012857 /nfs/dbraw/zinc/01/28/57/1074012857.db2.gz CNKDQNVIHZQFEF-DLBZAZTESA-N 1 2 424.567 0.127 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000605529086 1074012930 /nfs/dbraw/zinc/01/29/30/1074012930.db2.gz CNKDQNVIHZQFEF-IAGOWNOFSA-N 1 2 424.567 0.127 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000605529087 1074012817 /nfs/dbraw/zinc/01/28/17/1074012817.db2.gz CNKDQNVIHZQFEF-IRXDYDNUSA-N 1 2 424.567 0.127 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000605529088 1074012909 /nfs/dbraw/zinc/01/29/09/1074012909.db2.gz CNKDQNVIHZQFEF-SJORKVTESA-N 1 2 424.567 0.127 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000605529180 1074012171 /nfs/dbraw/zinc/01/21/71/1074012171.db2.gz QYZWJEHSGHKXIT-HNNXBMFYSA-N 1 2 411.462 0.512 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000605529181 1074012340 /nfs/dbraw/zinc/01/23/40/1074012340.db2.gz QYZWJEHSGHKXIT-OAHLLOKOSA-N 1 2 411.462 0.512 20 0 HCADLO COc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc2c1OCCO2 ZINC000605529239 1074012873 /nfs/dbraw/zinc/01/28/73/1074012873.db2.gz SQJUXLOJGOETLE-HNNXBMFYSA-N 1 2 405.451 0.129 20 0 HCADLO COc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc2c1OCCO2 ZINC000605529245 1074012650 /nfs/dbraw/zinc/01/26/50/1074012650.db2.gz SQJUXLOJGOETLE-OAHLLOKOSA-N 1 2 405.451 0.129 20 0 HCADLO CC1CCN(c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cn2)CC1 ZINC000605529256 1074012735 /nfs/dbraw/zinc/01/27/35/1074012735.db2.gz UFEVTURLVRLGEL-IBGZPJMESA-N 1 2 415.538 0.981 20 0 HCADLO CC1CCN(c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cn2)CC1 ZINC000605529258 1074012765 /nfs/dbraw/zinc/01/27/65/1074012765.db2.gz UFEVTURLVRLGEL-LJQANCHMSA-N 1 2 415.538 0.981 20 0 HCADLO COc1ccc2[nH]cc(CC(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2c1 ZINC000605529266 1074012948 /nfs/dbraw/zinc/01/29/48/1074012948.db2.gz UPCMGGIYTWDMIG-INIZCTEOSA-N 1 2 400.479 0.768 20 0 HCADLO COc1ccc2[nH]cc(CC(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2c1 ZINC000605529269 1074012562 /nfs/dbraw/zinc/01/25/62/1074012562.db2.gz UPCMGGIYTWDMIG-MRXNPFEDSA-N 1 2 400.479 0.768 20 0 HCADLO CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605529291 1074012963 /nfs/dbraw/zinc/01/29/63/1074012963.db2.gz UWLVWRSYVOXPAM-GOSISDBHSA-N 1 2 417.510 0.879 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Nc2ncccn2)c1 ZINC000605529294 1074012589 /nfs/dbraw/zinc/01/25/89/1074012589.db2.gz UWSKZJSJKOVSTA-GOSISDBHSA-N 1 2 410.478 0.883 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Nc2ncccn2)c1 ZINC000605529295 1074012895 /nfs/dbraw/zinc/01/28/95/1074012895.db2.gz UWSKZJSJKOVSTA-SFHVURJKSA-N 1 2 410.478 0.883 20 0 HCADLO COc1ccc2c(c1)C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CO2 ZINC000605529296 1074012377 /nfs/dbraw/zinc/01/23/77/1074012377.db2.gz VFGCOGWZHGOZAL-DLBZAZTESA-N 1 2 403.479 0.296 20 0 HCADLO COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CO2 ZINC000605529304 1074012227 /nfs/dbraw/zinc/01/22/27/1074012227.db2.gz VFGCOGWZHGOZAL-IAGOWNOFSA-N 1 2 403.479 0.296 20 0 HCADLO COc1ccc2c(c1)C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CO2 ZINC000605529305 1074012318 /nfs/dbraw/zinc/01/23/18/1074012318.db2.gz VFGCOGWZHGOZAL-IRXDYDNUSA-N 1 2 403.479 0.296 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnnn1-c1ccccc1Cl ZINC000605529319 1074012005 /nfs/dbraw/zinc/01/20/05/1074012005.db2.gz WDZUJSDFEFJMOO-AWEZNQCLSA-N 1 2 418.885 0.584 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000605529325 1074012136 /nfs/dbraw/zinc/01/21/36/1074012136.db2.gz WJGKADWEKSDDSU-MOPGFXCFSA-N 1 2 414.506 0.084 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000605529326 1074012030 /nfs/dbraw/zinc/01/20/30/1074012030.db2.gz WJGKADWEKSDDSU-OALUTQOASA-N 1 2 414.506 0.084 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000605529327 1074012250 /nfs/dbraw/zinc/01/22/50/1074012250.db2.gz WJGKADWEKSDDSU-RBUKOAKNSA-N 1 2 414.506 0.084 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000605529328 1074012116 /nfs/dbraw/zinc/01/21/16/1074012116.db2.gz WJGKADWEKSDDSU-RTBURBONSA-N 1 2 414.506 0.084 20 0 HCADLO C[C@@H]1Oc2c(cccc2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)NC1=O ZINC000605529389 1074012098 /nfs/dbraw/zinc/01/20/98/1074012098.db2.gz GLIXRKCMINRDST-KBPBESRZSA-N 1 2 402.451 0.069 20 0 HCADLO C[C@H]1Oc2c(cccc2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)NC1=O ZINC000605529390 1074012062 /nfs/dbraw/zinc/01/20/62/1074012062.db2.gz GLIXRKCMINRDST-KGLIPLIRSA-N 1 2 402.451 0.069 20 0 HCADLO C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)NC1=O ZINC000605529391 1074012395 /nfs/dbraw/zinc/01/23/95/1074012395.db2.gz GLIXRKCMINRDST-UONOGXRCSA-N 1 2 402.451 0.069 20 0 HCADLO C[C@H]1Oc2c(cccc2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)NC1=O ZINC000605529392 1074012274 /nfs/dbraw/zinc/01/22/74/1074012274.db2.gz GLIXRKCMINRDST-ZIAGYGMSSA-N 1 2 402.451 0.069 20 0 HCADLO Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529433 1074011980 /nfs/dbraw/zinc/01/19/80/1074011980.db2.gz HIRGIJNHKCFZBI-HNNXBMFYSA-N 1 2 409.508 0.061 20 0 HCADLO Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529436 1074012297 /nfs/dbraw/zinc/01/22/97/1074012297.db2.gz HIRGIJNHKCFZBI-OAHLLOKOSA-N 1 2 409.508 0.061 20 0 HCADLO Cc1ccc(N2CCC(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)[nH+]c1 ZINC000605529526 1074013920 /nfs/dbraw/zinc/01/39/20/1074013920.db2.gz IHEBUFAVWGWLAF-IBGZPJMESA-N 1 2 415.538 0.656 20 0 HCADLO Cc1ccc(N2CCC(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)[nH+]c1 ZINC000605529527 1074013803 /nfs/dbraw/zinc/01/38/03/1074013803.db2.gz IHEBUFAVWGWLAF-LJQANCHMSA-N 1 2 415.538 0.656 20 0 HCADLO O=C(Cc1cc(F)cc2c1OCOC2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529531 1074014072 /nfs/dbraw/zinc/01/40/72/1074014072.db2.gz IIMQHUKSYWNTJU-KRWDZBQOSA-N 1 2 407.442 0.284 20 0 HCADLO O=C(Cc1cc(F)cc2c1OCOC2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529533 1074013756 /nfs/dbraw/zinc/01/37/56/1074013756.db2.gz IIMQHUKSYWNTJU-QGZVFWFLSA-N 1 2 407.442 0.284 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000605529535 1074013950 /nfs/dbraw/zinc/01/39/50/1074013950.db2.gz IUWZXVWHQANFLV-MOPGFXCFSA-N 1 2 414.506 0.341 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000605529536 1074014056 /nfs/dbraw/zinc/01/40/56/1074014056.db2.gz IUWZXVWHQANFLV-OALUTQOASA-N 1 2 414.506 0.341 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000605529538 1074013969 /nfs/dbraw/zinc/01/39/69/1074013969.db2.gz IUWZXVWHQANFLV-RBUKOAKNSA-N 1 2 414.506 0.341 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000605529540 1074013891 /nfs/dbraw/zinc/01/38/91/1074013891.db2.gz IUWZXVWHQANFLV-RTBURBONSA-N 1 2 414.506 0.341 20 0 HCADLO CC1CCC(N2C[C@@H](C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2=O)CC1 ZINC000605529554 1074013829 /nfs/dbraw/zinc/01/38/29/1074013829.db2.gz JKUCSEYJETVEEP-CXUOOODFSA-N 1 2 420.554 0.463 20 0 HCADLO CC1CCC(N2C[C@H](C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2=O)CC1 ZINC000605529555 1074014105 /nfs/dbraw/zinc/01/41/05/1074014105.db2.gz JKUCSEYJETVEEP-IAFLDTSXSA-N 1 2 420.554 0.463 20 0 HCADLO CC1CCC(N2C[C@H](C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2=O)CC1 ZINC000605529556 1074014010 /nfs/dbraw/zinc/01/40/10/1074014010.db2.gz JKUCSEYJETVEEP-QGLXBCBXSA-N 1 2 420.554 0.463 20 0 HCADLO CC1CCC(N2C[C@@H](C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2=O)CC1 ZINC000605529557 1074013716 /nfs/dbraw/zinc/01/37/16/1074013716.db2.gz JKUCSEYJETVEEP-YBXZHIRMSA-N 1 2 420.554 0.463 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000605529564 1074014032 /nfs/dbraw/zinc/01/40/32/1074014032.db2.gz JSANMUVYUHFXSM-CVEARBPZSA-N 1 2 418.469 0.228 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000605529565 1074013739 /nfs/dbraw/zinc/01/37/39/1074013739.db2.gz JSANMUVYUHFXSM-HOTGVXAUSA-N 1 2 418.469 0.228 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000605529566 1074013864 /nfs/dbraw/zinc/01/38/64/1074013864.db2.gz JSANMUVYUHFXSM-HZPDHXFCSA-N 1 2 418.469 0.228 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000605529567 1074014166 /nfs/dbraw/zinc/01/41/66/1074014166.db2.gz JSANMUVYUHFXSM-JKSUJKDBSA-N 1 2 418.469 0.228 20 0 HCADLO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529590 1074015086 /nfs/dbraw/zinc/01/50/86/1074015086.db2.gz WTTHCSXEBQFKCU-PMACEKPBSA-N 1 2 414.506 0.009 20 0 HCADLO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529591 1074015247 /nfs/dbraw/zinc/01/52/47/1074015247.db2.gz WTTHCSXEBQFKCU-UXHICEINSA-N 1 2 414.506 0.009 20 0 HCADLO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529592 1074015477 /nfs/dbraw/zinc/01/54/77/1074015477.db2.gz WTTHCSXEBQFKCU-VQTJNVASSA-N 1 2 414.506 0.009 20 0 HCADLO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529593 1074015188 /nfs/dbraw/zinc/01/51/88/1074015188.db2.gz WTTHCSXEBQFKCU-WOJBJXKFSA-N 1 2 414.506 0.009 20 0 HCADLO O=C(CCn1cc(Br)cn1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529622 1074015208 /nfs/dbraw/zinc/01/52/08/1074015208.db2.gz YDRUIUSRALRNQJ-AWEZNQCLSA-N 1 2 414.304 0.085 20 0 HCADLO O=C(CCn1cc(Br)cn1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529623 1074015395 /nfs/dbraw/zinc/01/53/95/1074015395.db2.gz YDRUIUSRALRNQJ-CQSZACIVSA-N 1 2 414.304 0.085 20 0 HCADLO CCO[C@H](C)c1nc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000605529788 1074014497 /nfs/dbraw/zinc/01/44/97/1074014497.db2.gz LSRYFGNYUHAVMT-CABCVRRESA-N 1 2 410.540 0.832 20 0 HCADLO CCO[C@@H](C)c1nc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000605529789 1074014638 /nfs/dbraw/zinc/01/46/38/1074014638.db2.gz LSRYFGNYUHAVMT-GJZGRUSLSA-N 1 2 410.540 0.832 20 0 HCADLO CCO[C@H](C)c1nc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000605529790 1074014720 /nfs/dbraw/zinc/01/47/20/1074014720.db2.gz LSRYFGNYUHAVMT-HUUCEWRRSA-N 1 2 410.540 0.832 20 0 HCADLO CCO[C@@H](C)c1nc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000605529792 1074014561 /nfs/dbraw/zinc/01/45/61/1074014561.db2.gz LSRYFGNYUHAVMT-LSDHHAIUSA-N 1 2 410.540 0.832 20 0 HCADLO CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605529800 1074014386 /nfs/dbraw/zinc/01/43/86/1074014386.db2.gz MGHPBCIBDOGHJC-GOSISDBHSA-N 1 2 402.495 0.441 20 0 HCADLO CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605529808 1074014819 /nfs/dbraw/zinc/01/48/19/1074014819.db2.gz MGHPBCIBDOGHJC-SFHVURJKSA-N 1 2 402.495 0.441 20 0 HCADLO Cc1c(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnn1-c1ccccc1 ZINC000605529814 1074014461 /nfs/dbraw/zinc/01/44/61/1074014461.db2.gz MKMSELCXPMBHSK-KRWDZBQOSA-N 1 2 412.494 0.168 20 0 HCADLO Cc1c(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnn1-c1ccccc1 ZINC000605529815 1074015151 /nfs/dbraw/zinc/01/51/51/1074015151.db2.gz MKMSELCXPMBHSK-QGZVFWFLSA-N 1 2 412.494 0.168 20 0 HCADLO Cc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2cnn(C(C)C)c2n1 ZINC000605529816 1074015058 /nfs/dbraw/zinc/01/50/58/1074015058.db2.gz MLEINTXPWPTSEY-INIZCTEOSA-N 1 2 414.510 0.984 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2cnn(C(C)C)c2n1 ZINC000605529818 1074015171 /nfs/dbraw/zinc/01/51/71/1074015171.db2.gz MLEINTXPWPTSEY-MRXNPFEDSA-N 1 2 414.510 0.984 20 0 HCADLO O=C(COCc1nc2ccccc2s1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605530111 1074014407 /nfs/dbraw/zinc/01/44/07/1074014407.db2.gz CJWIRGMJGWAPLA-OAHLLOKOSA-N 1 2 418.519 0.862 20 0 HCADLO Cc1nn(C)c2nc(C)c(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc12 ZINC000605530191 1074014358 /nfs/dbraw/zinc/01/43/58/1074014358.db2.gz OVESSUHIAVPYMX-HNNXBMFYSA-N 1 2 400.483 0.248 20 0 HCADLO Cc1nn(C)c2nc(C)c(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc12 ZINC000605530194 1074014773 /nfs/dbraw/zinc/01/47/73/1074014773.db2.gz OVESSUHIAVPYMX-OAHLLOKOSA-N 1 2 400.483 0.248 20 0 HCADLO O=C(CCCc1ccc2c(c1)CC(=O)N2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605530196 1074014477 /nfs/dbraw/zinc/01/44/77/1074014477.db2.gz OYCDADWMJSVKBU-GOSISDBHSA-N 1 2 414.506 0.553 20 0 HCADLO O=C(CCCc1ccc2c(c1)CC(=O)N2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605530197 1074014618 /nfs/dbraw/zinc/01/46/18/1074014618.db2.gz OYCDADWMJSVKBU-SFHVURJKSA-N 1 2 414.506 0.553 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cncn1-c1ccc(F)cc1 ZINC000605530294 1074014657 /nfs/dbraw/zinc/01/46/57/1074014657.db2.gz QHVBAJFXRNMOEK-INIZCTEOSA-N 1 2 401.442 0.674 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cncn1-c1ccc(F)cc1 ZINC000605530295 1074014511 /nfs/dbraw/zinc/01/45/11/1074014511.db2.gz QHVBAJFXRNMOEK-MRXNPFEDSA-N 1 2 401.442 0.674 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000605531068 1074015818 /nfs/dbraw/zinc/01/58/18/1074015818.db2.gz SUVWBQUELNWJJM-KRWDZBQOSA-N 1 2 420.485 0.325 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000605531077 1074015983 /nfs/dbraw/zinc/01/59/83/1074015983.db2.gz SUVWBQUELNWJJM-QGZVFWFLSA-N 1 2 420.485 0.325 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1OCC(F)(F)F ZINC000605531129 1074015916 /nfs/dbraw/zinc/01/59/16/1074015916.db2.gz UGLHUXKZUQHIHT-CYBMUJFWSA-N 1 2 416.400 0.686 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1OCC(F)(F)F ZINC000605531149 1074015717 /nfs/dbraw/zinc/01/57/17/1074015717.db2.gz UGLHUXKZUQHIHT-ZDUSSCGKSA-N 1 2 416.400 0.686 20 0 HCADLO Cc1c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cnn1Cc1ccccc1 ZINC000605531276 1074015450 /nfs/dbraw/zinc/01/54/50/1074015450.db2.gz WLBGHLWGKUZTKK-IBGZPJMESA-N 1 2 411.506 0.903 20 0 HCADLO Cc1c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cnn1Cc1ccccc1 ZINC000605531285 1074015364 /nfs/dbraw/zinc/01/53/64/1074015364.db2.gz WLBGHLWGKUZTKK-LJQANCHMSA-N 1 2 411.506 0.903 20 0 HCADLO CCS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605531310 1074014983 /nfs/dbraw/zinc/01/49/83/1074014983.db2.gz WTWLOQXQEKFINB-KRWDZBQOSA-N 1 2 423.535 0.072 20 0 HCADLO O=C(CCc1nc2ccccc2oc1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531316 1074015228 /nfs/dbraw/zinc/01/52/28/1074015228.db2.gz JAGACHOJRPSLIU-HNNXBMFYSA-N 1 2 414.462 0.170 20 0 HCADLO CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605531327 1074015424 /nfs/dbraw/zinc/01/54/24/1074015424.db2.gz WTWLOQXQEKFINB-QGZVFWFLSA-N 1 2 423.535 0.072 20 0 HCADLO O=C(CCc1nc2ccccc2oc1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531335 1074016109 /nfs/dbraw/zinc/01/61/09/1074016109.db2.gz JAGACHOJRPSLIU-OAHLLOKOSA-N 1 2 414.462 0.170 20 0 HCADLO Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531376 1074015533 /nfs/dbraw/zinc/01/55/33/1074015533.db2.gz XJZJDYDVSRGASE-HNNXBMFYSA-N 1 2 418.523 0.515 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000605532775 1074016038 /nfs/dbraw/zinc/01/60/38/1074016038.db2.gz ULIAMUOHZFAZIB-INIZCTEOSA-N 1 2 414.462 0.003 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000605532777 1074015783 /nfs/dbraw/zinc/01/57/83/1074015783.db2.gz ULIAMUOHZFAZIB-MRXNPFEDSA-N 1 2 414.462 0.003 20 0 HCADLO Cc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1N1CCNC1=O ZINC000605533085 1074015847 /nfs/dbraw/zinc/01/58/47/1074015847.db2.gz VXDMCZZWFUQJLZ-KRWDZBQOSA-N 1 2 415.494 0.188 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1N1CCNC1=O ZINC000605533089 1074016024 /nfs/dbraw/zinc/01/60/24/1074016024.db2.gz VXDMCZZWFUQJLZ-QGZVFWFLSA-N 1 2 415.494 0.188 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1csc(-c2ncccn2)n1 ZINC000605533456 1074015886 /nfs/dbraw/zinc/01/58/86/1074015886.db2.gz ZZKADMDVLLMTKP-CYBMUJFWSA-N 1 2 402.480 0.263 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1csc(-c2ncccn2)n1 ZINC000605533457 1074016055 /nfs/dbraw/zinc/01/60/55/1074016055.db2.gz ZZKADMDVLLMTKP-ZDUSSCGKSA-N 1 2 402.480 0.263 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000605542887 1074007747 /nfs/dbraw/zinc/00/77/47/1074007747.db2.gz ABTXSMRMZQYYFU-UHFFFAOYSA-N 1 2 407.496 0.673 20 0 HCADLO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCCCNc1cccc[nH+]1 ZINC000605544616 1074008512 /nfs/dbraw/zinc/00/85/12/1074008512.db2.gz OFWYMQYXYQCLQA-UHFFFAOYSA-N 1 2 405.436 0.255 20 0 HCADLO CCc1ccc([C@@H]2COCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000605565435 1074019033 /nfs/dbraw/zinc/01/90/33/1074019033.db2.gz JZABGKKDRKDMNF-AEFFLSMTSA-N 1 2 405.495 0.923 20 0 HCADLO CCc1ccc([C@H]2COCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000605565451 1074018995 /nfs/dbraw/zinc/01/89/95/1074018995.db2.gz JZABGKKDRKDMNF-FUHWJXTLSA-N 1 2 405.495 0.923 20 0 HCADLO CCc1ccc([C@H]2COCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000605565454 1074018684 /nfs/dbraw/zinc/01/86/84/1074018684.db2.gz JZABGKKDRKDMNF-SJLPKXTDSA-N 1 2 405.495 0.923 20 0 HCADLO CCc1ccc([C@@H]2COCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000605565455 1074019232 /nfs/dbraw/zinc/01/92/32/1074019232.db2.gz JZABGKKDRKDMNF-WMZOPIPTSA-N 1 2 405.495 0.923 20 0 HCADLO CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000605572108 1074020631 /nfs/dbraw/zinc/02/06/31/1074020631.db2.gz RJGBQZZAZJAIIL-UHFFFAOYSA-N 1 2 417.553 0.286 20 0 HCADLO C[C@@H]1[C@H](C)N(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCS1(=O)=O ZINC000605577421 1074020891 /nfs/dbraw/zinc/02/08/91/1074020891.db2.gz QQZNHSISHFQMTO-DLBZAZTESA-N 1 2 409.552 0.642 20 0 HCADLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000605577426 1074020848 /nfs/dbraw/zinc/02/08/48/1074020848.db2.gz QQZNHSISHFQMTO-SJORKVTESA-N 1 2 409.552 0.642 20 0 HCADLO CCCC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000605610853 1074026337 /nfs/dbraw/zinc/02/63/37/1074026337.db2.gz FKZROMOPLYYTQS-INIZCTEOSA-N 1 2 405.565 0.011 20 0 HCADLO CCCC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000605610860 1074026921 /nfs/dbraw/zinc/02/69/21/1074026921.db2.gz FKZROMOPLYYTQS-MRXNPFEDSA-N 1 2 405.565 0.011 20 0 HCADLO Cc1cc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1S(N)(=O)=O ZINC000605657697 1074028376 /nfs/dbraw/zinc/02/83/76/1074028376.db2.gz HIVZTVMURZBNQB-UHFFFAOYSA-N 1 2 415.479 0.282 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)CC1 ZINC000605661223 1074029293 /nfs/dbraw/zinc/02/92/93/1074029293.db2.gz MCXAQFOCTOKCLF-UHFFFAOYSA-N 1 2 410.540 0.659 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)CC1 ZINC000605661223 1074029284 /nfs/dbraw/zinc/02/92/84/1074029284.db2.gz MCXAQFOCTOKCLF-UHFFFAOYSA-N 1 2 410.540 0.659 20 0 HCADLO Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ccc1S(N)(=O)=O ZINC000605661648 1074028738 /nfs/dbraw/zinc/02/87/38/1074028738.db2.gz YFQIOIIXABOTOX-UHFFFAOYSA-N 1 2 408.524 0.413 20 0 HCADLO Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccc1S(N)(=O)=O ZINC000605661648 1074028729 /nfs/dbraw/zinc/02/87/29/1074028729.db2.gz YFQIOIIXABOTOX-UHFFFAOYSA-N 1 2 408.524 0.413 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Oc2cnccn2)c1 ZINC000605665715 1074029732 /nfs/dbraw/zinc/02/97/32/1074029732.db2.gz YTZUXPGSBKBFNQ-KRWDZBQOSA-N 1 2 411.462 0.932 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Oc2cnccn2)c1 ZINC000605665716 1074029629 /nfs/dbraw/zinc/02/96/29/1074029629.db2.gz YTZUXPGSBKBFNQ-QGZVFWFLSA-N 1 2 411.462 0.932 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)c3c[nH]cn3)cc2)CC1 ZINC000605783804 1074033062 /nfs/dbraw/zinc/03/30/62/1074033062.db2.gz HWDNXEQXWRYHSU-UHFFFAOYSA-N 1 2 421.523 0.474 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H](O)C1CCOCC1 ZINC000605875551 1074039763 /nfs/dbraw/zinc/03/97/63/1074039763.db2.gz BJFDAAGCHNJUQD-IBGZPJMESA-N 1 2 407.511 0.984 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H](O)C1CCOCC1 ZINC000605875579 1074039565 /nfs/dbraw/zinc/03/95/65/1074039565.db2.gz BJFDAAGCHNJUQD-LJQANCHMSA-N 1 2 407.511 0.984 20 0 HCADLO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000605882311 1074034251 /nfs/dbraw/zinc/03/42/51/1074034251.db2.gz SCMGHHUTTQCONP-UHFFFAOYSA-N 1 2 400.527 0.858 20 0 HCADLO CCO[C@@H](C)c1nc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000605901479 1074038548 /nfs/dbraw/zinc/03/85/48/1074038548.db2.gz HMEDHEYCNJDNMH-HNNXBMFYSA-N 1 2 417.601 0.850 20 0 HCADLO CCO[C@H](C)c1nc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000605901512 1074038801 /nfs/dbraw/zinc/03/88/01/1074038801.db2.gz HMEDHEYCNJDNMH-OAHLLOKOSA-N 1 2 417.601 0.850 20 0 HCADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)C1CCOCC1 ZINC000605966856 1074050857 /nfs/dbraw/zinc/05/08/57/1074050857.db2.gz UEAYXPIVMXNUHV-QGZVFWFLSA-N 1 2 405.499 0.207 20 0 HCADLO C[C@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)N1CCCC[C@H]1C ZINC000605981553 1074047312 /nfs/dbraw/zinc/04/73/12/1074047312.db2.gz VKZZUULJQRFELE-CABCVRRESA-N 1 2 414.514 0.984 20 0 HCADLO C[C@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000605981555 1074047489 /nfs/dbraw/zinc/04/74/89/1074047489.db2.gz VKZZUULJQRFELE-GJZGRUSLSA-N 1 2 414.514 0.984 20 0 HCADLO C[C@@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)N1CCCC[C@H]1C ZINC000605981556 1074047623 /nfs/dbraw/zinc/04/76/23/1074047623.db2.gz VKZZUULJQRFELE-HUUCEWRRSA-N 1 2 414.514 0.984 20 0 HCADLO C[C@@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000605981557 1074047403 /nfs/dbraw/zinc/04/74/03/1074047403.db2.gz VKZZUULJQRFELE-LSDHHAIUSA-N 1 2 414.514 0.984 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c1C ZINC000605983540 1074047873 /nfs/dbraw/zinc/04/78/73/1074047873.db2.gz NWGAVQLAEBTEAY-UHFFFAOYSA-N 1 2 405.499 0.929 20 0 HCADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1OC ZINC000605989700 1074050000 /nfs/dbraw/zinc/05/00/00/1074050000.db2.gz XESZGWWUEYGPEK-UHFFFAOYSA-N 1 2 409.468 0.798 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccnc1-n1cncn1 ZINC000605992210 1074058917 /nfs/dbraw/zinc/05/89/17/1074058917.db2.gz BRKOQWGIEYHTEL-KRWDZBQOSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccnc1-n1cncn1 ZINC000605992210 1074058907 /nfs/dbraw/zinc/05/89/07/1074058907.db2.gz BRKOQWGIEYHTEL-KRWDZBQOSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccnc1-n1cncn1 ZINC000605992212 1074058799 /nfs/dbraw/zinc/05/87/99/1074058799.db2.gz BRKOQWGIEYHTEL-QGZVFWFLSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccnc1-n1cncn1 ZINC000605992212 1074058787 /nfs/dbraw/zinc/05/87/87/1074058787.db2.gz BRKOQWGIEYHTEL-QGZVFWFLSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(Cn1ccc2cc(NC(=O)C(=O)NCCn3cc[nH+]c3)ccc21)N1CCOCC1 ZINC000605993740 1074058970 /nfs/dbraw/zinc/05/89/70/1074058970.db2.gz ZULHGYDSIACYNO-UHFFFAOYSA-N 1 2 424.461 0.452 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)[NH+]1CCOCC1 ZINC000606003277 1074062690 /nfs/dbraw/zinc/06/26/90/1074062690.db2.gz GINRATGCHKQDDZ-KRWDZBQOSA-N 1 2 404.446 0.818 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)[NH+]1CCOCC1 ZINC000606003278 1074063159 /nfs/dbraw/zinc/06/31/59/1074063159.db2.gz GINRATGCHKQDDZ-QGZVFWFLSA-N 1 2 404.446 0.818 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000606003795 1074062582 /nfs/dbraw/zinc/06/25/82/1074062582.db2.gz NZUUJVLSQXWRCA-HNNXBMFYSA-N 1 2 412.512 0.054 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000606003796 1074062657 /nfs/dbraw/zinc/06/26/57/1074062657.db2.gz NZUUJVLSQXWRCA-OAHLLOKOSA-N 1 2 412.512 0.054 20 0 HCADLO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)cn2)CC1 ZINC000606004614 1074063086 /nfs/dbraw/zinc/06/30/86/1074063086.db2.gz ZFBZBNYLQHBAHQ-UHFFFAOYSA-N 1 2 417.539 0.659 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000606005586 1074063891 /nfs/dbraw/zinc/06/38/91/1074063891.db2.gz DDYXNSKCCHCYPM-UHFFFAOYSA-N 1 2 403.464 0.584 20 0 HCADLO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000606005630 1074063922 /nfs/dbraw/zinc/06/39/22/1074063922.db2.gz FTIJIOOAFNSRFI-UHFFFAOYSA-N 1 2 421.454 0.723 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000606006198 1074064516 /nfs/dbraw/zinc/06/45/16/1074064516.db2.gz NVRSSMHQFJESGA-HNNXBMFYSA-N 1 2 412.512 0.136 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000606006200 1074064497 /nfs/dbraw/zinc/06/44/97/1074064497.db2.gz NVRSSMHQFJESGA-OAHLLOKOSA-N 1 2 412.512 0.136 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccnc1-n1cncn1)[NH+]1CCOCC1 ZINC000606006593 1074064614 /nfs/dbraw/zinc/06/46/14/1074064614.db2.gz RIYAMVUTQZAFPC-HNNXBMFYSA-N 1 2 401.471 0.464 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccnc1-n1cncn1)[NH+]1CCOCC1 ZINC000606006594 1074064639 /nfs/dbraw/zinc/06/46/39/1074064639.db2.gz RIYAMVUTQZAFPC-OAHLLOKOSA-N 1 2 401.471 0.464 20 0 HCADLO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)ccn2)CC1 ZINC000606008284 1074065304 /nfs/dbraw/zinc/06/53/04/1074065304.db2.gz MOOJESYXRSEYOJ-UHFFFAOYSA-N 1 2 417.539 0.659 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000606008722 1074065501 /nfs/dbraw/zinc/06/55/01/1074065501.db2.gz NEKMTCCDSOAKHS-UHFFFAOYSA-N 1 2 413.459 0.834 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1S(N)(=O)=O ZINC000606015032 1074053432 /nfs/dbraw/zinc/05/34/32/1074053432.db2.gz CSEROHQISKMLKZ-UHFFFAOYSA-N 1 2 417.491 0.761 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1S(N)(=O)=O ZINC000606015282 1074054011 /nfs/dbraw/zinc/05/40/11/1074054011.db2.gz JCHVLJFUGXWMQZ-UHFFFAOYSA-N 1 2 405.480 0.473 20 0 HCADLO CCn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1=O ZINC000606015322 1074054169 /nfs/dbraw/zinc/05/41/69/1074054169.db2.gz WIFOMPYMJOSHJW-UHFFFAOYSA-N 1 2 415.469 0.884 20 0 HCADLO CCc1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n(C)n1 ZINC000606015347 1074054065 /nfs/dbraw/zinc/05/40/65/1074054065.db2.gz YJQBLKLLUCFWBW-UHFFFAOYSA-N 1 2 402.474 0.999 20 0 HCADLO CCc1ccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1S(N)(=O)=O ZINC000606015656 1074053572 /nfs/dbraw/zinc/05/35/72/1074053572.db2.gz REJMJMFJGPOANP-UHFFFAOYSA-N 1 2 419.507 0.727 20 0 HCADLO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000606015760 1074053487 /nfs/dbraw/zinc/05/34/87/1074053487.db2.gz NJSQVJDIOWQPHH-UHFFFAOYSA-N 1 2 421.454 0.592 20 0 HCADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c1C ZINC000606015991 1074053606 /nfs/dbraw/zinc/05/36/06/1074053606.db2.gz UYLBUSLNJPGXJA-UHFFFAOYSA-N 1 2 419.507 0.781 20 0 HCADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1 ZINC000606020730 1074056605 /nfs/dbraw/zinc/05/66/05/1074056605.db2.gz BBGNQLOPDRUVAW-UHFFFAOYSA-N 1 2 416.503 0.925 20 0 HCADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000606022124 1074057865 /nfs/dbraw/zinc/05/78/65/1074057865.db2.gz KIJMDFXXYQKBGN-UHFFFAOYSA-N 1 2 416.503 0.925 20 0 HCADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000606023080 1074079464 /nfs/dbraw/zinc/07/94/64/1074079464.db2.gz GJAYEMUZPZRCJO-UHFFFAOYSA-N 1 2 417.491 0.633 20 0 HCADLO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000606023116 1074079267 /nfs/dbraw/zinc/07/92/67/1074079267.db2.gz KSHNCXPOWBDVHC-UHFFFAOYSA-N 1 2 417.491 0.418 20 0 HCADLO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000606023229 1074066352 /nfs/dbraw/zinc/06/63/52/1074066352.db2.gz RPOPMDZVOSFPOD-UHFFFAOYSA-N 1 2 407.427 0.155 20 0 HCADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CC1 ZINC000606023610 1074057800 /nfs/dbraw/zinc/05/78/00/1074057800.db2.gz TWBUPZKJOQCMGG-UHFFFAOYSA-N 1 2 413.478 0.213 20 0 HCADLO COc1cc(C)ccc1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000606031199 1074070365 /nfs/dbraw/zinc/07/03/65/1074070365.db2.gz IZBCOJINKTXADU-UHFFFAOYSA-N 1 2 409.450 0.968 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(=O)n(CC)c2)CC1 ZINC000606031301 1074070289 /nfs/dbraw/zinc/07/02/89/1074070289.db2.gz ICXBATOCDPLPSO-UHFFFAOYSA-N 1 2 405.499 0.209 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(=O)n(CC)c2)CC1 ZINC000606031301 1074070281 /nfs/dbraw/zinc/07/02/81/1074070281.db2.gz ICXBATOCDPLPSO-UHFFFAOYSA-N 1 2 405.499 0.209 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000606031452 1074070198 /nfs/dbraw/zinc/07/01/98/1074070198.db2.gz KHBPBGSQHZIOQA-UHFFFAOYSA-N 1 2 402.499 0.695 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000606031452 1074070187 /nfs/dbraw/zinc/07/01/87/1074070187.db2.gz KHBPBGSQHZIOQA-UHFFFAOYSA-N 1 2 402.499 0.695 20 0 HCADLO CC(C)(C)c1ncc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000606031550 1074070410 /nfs/dbraw/zinc/07/04/10/1074070410.db2.gz OBWHPGKMPIBMJT-UHFFFAOYSA-N 1 2 416.526 0.869 20 0 HCADLO CC(C)(C)c1ncc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000606031550 1074070403 /nfs/dbraw/zinc/07/04/03/1074070403.db2.gz OBWHPGKMPIBMJT-UHFFFAOYSA-N 1 2 416.526 0.869 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000606031786 1074069791 /nfs/dbraw/zinc/06/97/91/1074069791.db2.gz RYHYLWACOZLTOH-UHFFFAOYSA-N 1 2 407.438 0.318 20 0 HCADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1)N1CCCC1 ZINC000606032015 1074069901 /nfs/dbraw/zinc/06/99/01/1074069901.db2.gz RFETXKBFHQZUEB-UHFFFAOYSA-N 1 2 400.483 0.449 20 0 HCADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1)N1CCCC1 ZINC000606032015 1074069892 /nfs/dbraw/zinc/06/98/92/1074069892.db2.gz RFETXKBFHQZUEB-UHFFFAOYSA-N 1 2 400.483 0.449 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000606032390 1074070800 /nfs/dbraw/zinc/07/08/00/1074070800.db2.gz ZQIJBUPYLOAWCE-UHFFFAOYSA-N 1 2 423.481 0.738 20 0 HCADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1C ZINC000606036993 1074072704 /nfs/dbraw/zinc/07/27/04/1074072704.db2.gz BPLSWJNQSGHJNS-UHFFFAOYSA-N 1 2 405.480 0.903 20 0 HCADLO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000606037045 1074073357 /nfs/dbraw/zinc/07/33/57/1074073357.db2.gz CMGKORRUYFUDIE-UHFFFAOYSA-N 1 2 405.480 0.688 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000606046381 1074076779 /nfs/dbraw/zinc/07/67/79/1074076779.db2.gz JOVIZSFPPOVDGY-UHFFFAOYSA-N 1 2 408.505 0.509 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000606046381 1074076774 /nfs/dbraw/zinc/07/67/74/1074076774.db2.gz JOVIZSFPPOVDGY-UHFFFAOYSA-N 1 2 408.505 0.509 20 0 HCADLO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000606050974 1074077172 /nfs/dbraw/zinc/07/71/72/1074077172.db2.gz SHPMFTJFLSQJKO-UHFFFAOYSA-N 1 2 417.422 0.914 20 0 HCADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1OC ZINC000606051720 1074077537 /nfs/dbraw/zinc/07/75/37/1074077537.db2.gz DZVPQWWVJYNCQE-UHFFFAOYSA-N 1 2 410.496 0.702 20 0 HCADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000606052070 1074077967 /nfs/dbraw/zinc/07/79/67/1074077967.db2.gz ZSCRHKFFBRTWFW-UHFFFAOYSA-N 1 2 400.479 0.713 20 0 HCADLO CCc1cc(NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)n(C)n1 ZINC000606052596 1074077985 /nfs/dbraw/zinc/07/79/85/1074077985.db2.gz RJDQEYHOSVDDPB-UHFFFAOYSA-N 1 2 415.494 0.948 20 0 HCADLO Cc1cc(NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)n(C)n1 ZINC000606053003 1074078116 /nfs/dbraw/zinc/07/81/16/1074078116.db2.gz UTJHJYHORHXVKM-UHFFFAOYSA-N 1 2 401.467 0.694 20 0 HCADLO Cc1cc(NC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)n(C)n1 ZINC000606054315 1074079027 /nfs/dbraw/zinc/07/90/27/1074079027.db2.gz UNUZMIHVAZMFRH-UHFFFAOYSA-N 1 2 401.467 0.694 20 0 HCADLO CCc1cc(NC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)n(C)n1 ZINC000606054361 1074079006 /nfs/dbraw/zinc/07/90/06/1074079006.db2.gz YJVGFMIFOIFANI-UHFFFAOYSA-N 1 2 415.494 0.948 20 0 HCADLO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000606055712 1074078880 /nfs/dbraw/zinc/07/88/80/1074078880.db2.gz CIYPTIPIWHERDR-UHFFFAOYSA-N 1 2 416.503 0.806 20 0 HCADLO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000606055716 1074078983 /nfs/dbraw/zinc/07/89/83/1074078983.db2.gz CLVBRVCWMGUEDB-UHFFFAOYSA-N 1 2 406.439 0.544 20 0 HCADLO CCc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1S(N)(=O)=O ZINC000606056021 1074078906 /nfs/dbraw/zinc/07/89/06/1074078906.db2.gz ITPSVRYABNXZTI-UHFFFAOYSA-N 1 2 416.503 0.967 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1S(N)(=O)=O ZINC000606056931 1074079380 /nfs/dbraw/zinc/07/93/80/1074079380.db2.gz WPTXSJVUXSPXCP-UHFFFAOYSA-N 1 2 402.476 0.713 20 0 HCADLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000606065063 1074081175 /nfs/dbraw/zinc/08/11/75/1074081175.db2.gz HQLAXAWOXZIIKS-GFCCVEGCSA-N 1 2 410.544 0.255 20 0 HCADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000606065063 1074081165 /nfs/dbraw/zinc/08/11/65/1074081165.db2.gz HQLAXAWOXZIIKS-GFCCVEGCSA-N 1 2 410.544 0.255 20 0 HCADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000606065065 1074081257 /nfs/dbraw/zinc/08/12/57/1074081257.db2.gz HQLAXAWOXZIIKS-LBPRGKRZSA-N 1 2 410.544 0.255 20 0 HCADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000606065065 1074081248 /nfs/dbraw/zinc/08/12/48/1074081248.db2.gz HQLAXAWOXZIIKS-LBPRGKRZSA-N 1 2 410.544 0.255 20 0 HCADLO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000606071805 1074083170 /nfs/dbraw/zinc/08/31/70/1074083170.db2.gz DBRDFMNKBIMONV-UHFFFAOYSA-N 1 2 410.544 0.209 20 0 HCADLO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000606077171 1074086260 /nfs/dbraw/zinc/08/62/60/1074086260.db2.gz CEYCHBVLVCTGIT-AWEZNQCLSA-N 1 2 408.572 0.825 20 0 HCADLO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000606077171 1074086253 /nfs/dbraw/zinc/08/62/53/1074086253.db2.gz CEYCHBVLVCTGIT-AWEZNQCLSA-N 1 2 408.572 0.825 20 0 HCADLO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000606077190 1074086156 /nfs/dbraw/zinc/08/61/56/1074086156.db2.gz CEYCHBVLVCTGIT-CQSZACIVSA-N 1 2 408.572 0.825 20 0 HCADLO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000606077190 1074086149 /nfs/dbraw/zinc/08/61/49/1074086149.db2.gz CEYCHBVLVCTGIT-CQSZACIVSA-N 1 2 408.572 0.825 20 0 HCADLO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000606079490 1074087717 /nfs/dbraw/zinc/08/77/17/1074087717.db2.gz PYWWCNTXZXZILB-UHFFFAOYSA-N 1 2 410.544 0.255 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)[C@H]3CCOC3)cc2)CC1 ZINC000606099041 1074113964 /nfs/dbraw/zinc/11/39/64/1074113964.db2.gz QYBJFKDMGFVTDH-HKUYNNGSSA-N 1 2 404.511 0.276 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]3CCOC3)cc2)CC1 ZINC000606099042 1074113997 /nfs/dbraw/zinc/11/39/97/1074113997.db2.gz QYBJFKDMGFVTDH-IEBWSBKVSA-N 1 2 404.511 0.276 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)[C@@H]3CCOC3)cc2)CC1 ZINC000606099043 1074114141 /nfs/dbraw/zinc/11/41/41/1074114141.db2.gz QYBJFKDMGFVTDH-MJGOQNOKSA-N 1 2 404.511 0.276 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](O)[C@H]3CCOC3)cc2)CC1 ZINC000606099044 1074114177 /nfs/dbraw/zinc/11/41/77/1074114177.db2.gz QYBJFKDMGFVTDH-PKOBYXMFSA-N 1 2 404.511 0.276 20 0 HCADLO COCCOCCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606101448 1074116614 /nfs/dbraw/zinc/11/66/14/1074116614.db2.gz VVPQCEAXGDEZPJ-UHFFFAOYSA-N 1 2 406.483 0.182 20 0 HCADLO COc1cc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1OCC(N)=O ZINC000606106828 1074118334 /nfs/dbraw/zinc/11/83/34/1074118334.db2.gz VOUIKFXZBVSZPA-UHFFFAOYSA-N 1 2 423.429 1.000 20 0 HCADLO NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000606109559 1074122787 /nfs/dbraw/zinc/12/27/87/1074122787.db2.gz JZFPIJDREMOGMG-UHFFFAOYSA-N 1 2 405.480 0.620 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCCS(C)(=O)=O)cc2)CC1 ZINC000606109568 1074122746 /nfs/dbraw/zinc/12/27/46/1074122746.db2.gz XPIKFLLHVCSVJJ-UHFFFAOYSA-N 1 2 410.540 0.314 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC2(O)CCCCC2)CC1 ZINC000606111576 1074123899 /nfs/dbraw/zinc/12/38/99/1074123899.db2.gz XKSIXKFATRRZPH-UHFFFAOYSA-N 1 2 402.495 0.824 20 0 HCADLO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2nn[nH]n2)c1 ZINC000606116392 1074096358 /nfs/dbraw/zinc/09/63/58/1074096358.db2.gz ILGDZHISBKOTMS-LLVKDONJSA-N 1 2 418.433 0.407 20 0 HCADLO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2nn[nH]n2)c1 ZINC000606116392 1074096348 /nfs/dbraw/zinc/09/63/48/1074096348.db2.gz ILGDZHISBKOTMS-LLVKDONJSA-N 1 2 418.433 0.407 20 0 HCADLO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2nn[nH]n2)c1 ZINC000606116395 1074096304 /nfs/dbraw/zinc/09/63/04/1074096304.db2.gz ILGDZHISBKOTMS-NSHDSACASA-N 1 2 418.433 0.407 20 0 HCADLO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2nn[nH]n2)c1 ZINC000606116395 1074096290 /nfs/dbraw/zinc/09/62/90/1074096290.db2.gz ILGDZHISBKOTMS-NSHDSACASA-N 1 2 418.433 0.407 20 0 HCADLO O=C(NCc1nn[nH]n1)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000606116493 1074096833 /nfs/dbraw/zinc/09/68/33/1074096833.db2.gz DGYWHGWYFSETFR-UHFFFAOYSA-N 1 2 421.465 0.172 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NCc2nn[nH]n2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000606116700 1074096481 /nfs/dbraw/zinc/09/64/81/1074096481.db2.gz LBHWQEZJCTWQNJ-UHFFFAOYSA-N 1 2 400.443 0.187 20 0 HCADLO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C(=O)NCc2nn[nH]n2)cc1 ZINC000606117475 1074097666 /nfs/dbraw/zinc/09/76/66/1074097666.db2.gz XWHGGTXSVIGBFK-UHFFFAOYSA-N 1 2 400.443 0.269 20 0 HCADLO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)NCc2nn[nH]n2)c1 ZINC000606117577 1074097424 /nfs/dbraw/zinc/09/74/24/1074097424.db2.gz PRXXBCDRQXEYAB-UHFFFAOYSA-N 1 2 400.443 0.269 20 0 HCADLO O=C(CCNC(=O)C(=O)Nc1cnc(C2CC2)nc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000606118890 1074097542 /nfs/dbraw/zinc/09/75/42/1074097542.db2.gz DEIXDZCPNAHYKL-UHFFFAOYSA-N 1 2 423.477 0.543 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCc3nc(C)no3)cc2)CC1 ZINC000606119150 1074099803 /nfs/dbraw/zinc/09/98/03/1074099803.db2.gz MEEPVXGHSPPMBN-UHFFFAOYSA-N 1 2 400.483 0.813 20 0 HCADLO COc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000606119435 1074099248 /nfs/dbraw/zinc/09/92/48/1074099248.db2.gz VVVKKKDECMPOHR-UHFFFAOYSA-N 1 2 411.462 0.884 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)Nc2cccnc2)CC1 ZINC000606120150 1074099793 /nfs/dbraw/zinc/09/97/93/1074099793.db2.gz JJKWUTCEWXMQNY-UHFFFAOYSA-N 1 2 424.461 0.163 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)Nc3cccnc3)c2)CC1 ZINC000606120519 1074100803 /nfs/dbraw/zinc/10/08/03/1074100803.db2.gz NTJROFSIXUSHCZ-UHFFFAOYSA-N 1 2 410.478 0.522 20 0 HCADLO O=C(CCNC(=O)C(=O)Nc1ccc2c(c1)CCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000606120973 1074100401 /nfs/dbraw/zinc/10/04/01/1074100401.db2.gz AFRVJBQPRBXGKC-UHFFFAOYSA-N 1 2 423.473 0.810 20 0 HCADLO Cc1noc(C)c1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000606121059 1074099747 /nfs/dbraw/zinc/09/97/47/1074099747.db2.gz FTUHDPAGCSQKOA-UHFFFAOYSA-N 1 2 400.439 0.480 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCNc2cccc[nH+]2)c2ccccc2O1 ZINC000606121528 1074103780 /nfs/dbraw/zinc/10/37/80/1074103780.db2.gz AVVHTOMYIUIFKW-KRWDZBQOSA-N 1 2 411.462 0.930 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCCNc2cccc[nH+]2)c2ccccc2O1 ZINC000606121529 1074103887 /nfs/dbraw/zinc/10/38/87/1074103887.db2.gz AVVHTOMYIUIFKW-QGZVFWFLSA-N 1 2 411.462 0.930 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)cc1S(N)(=O)=O ZINC000606121608 1074103808 /nfs/dbraw/zinc/10/38/08/1074103808.db2.gz JXYYSURPIQUCCX-UHFFFAOYSA-N 1 2 405.480 0.984 20 0 HCADLO COc1ccccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000606121669 1074103207 /nfs/dbraw/zinc/10/32/07/1074103207.db2.gz MVWRDAVLPAFOTE-UHFFFAOYSA-N 1 2 411.462 0.884 20 0 HCADLO CCc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000606121690 1074103128 /nfs/dbraw/zinc/10/31/28/1074103128.db2.gz NFCSLPPPUMPQCM-UHFFFAOYSA-N 1 2 413.482 0.171 20 0 HCADLO COc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000606121778 1074103064 /nfs/dbraw/zinc/10/30/64/1074103064.db2.gz QAVNLSNGPIVJEO-UHFFFAOYSA-N 1 2 412.450 0.279 20 0 HCADLO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000606122051 1074103098 /nfs/dbraw/zinc/10/30/98/1074103098.db2.gz MKUMQTYVXCHEKJ-UHFFFAOYSA-N 1 2 409.443 0.815 20 0 HCADLO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000606122110 1074102519 /nfs/dbraw/zinc/10/25/19/1074102519.db2.gz QKXXOBDKEQEQLW-UHFFFAOYSA-N 1 2 411.466 0.360 20 0 HCADLO Cc1noc(CCCNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000606123296 1074108123 /nfs/dbraw/zinc/10/81/23/1074108123.db2.gz VOHRVPSJCMTIGE-UHFFFAOYSA-N 1 2 400.483 0.813 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCc2cccc(CO)c2)CC1 ZINC000606123320 1074108082 /nfs/dbraw/zinc/10/80/82/1074108082.db2.gz BLOAQYQVFAZNGP-UHFFFAOYSA-N 1 2 410.474 0.821 20 0 HCADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCc1cc(C)[nH]n1 ZINC000606128939 1074140997 /nfs/dbraw/zinc/14/09/97/1074140997.db2.gz KSSBIJWXJVRQEZ-UHFFFAOYSA-N 1 2 414.466 0.369 20 0 HCADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCc1cc(C)n[nH]1 ZINC000606128939 1074140993 /nfs/dbraw/zinc/14/09/93/1074140993.db2.gz KSSBIJWXJVRQEZ-UHFFFAOYSA-N 1 2 414.466 0.369 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)cc2)CC1 ZINC000606132065 1074144316 /nfs/dbraw/zinc/14/43/16/1074144316.db2.gz ABGOIECCPAAPIE-UHFFFAOYSA-N 1 2 415.494 0.028 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC[C@H](O)C(F)(F)F)CC1 ZINC000606133116 1074145375 /nfs/dbraw/zinc/14/53/75/1074145375.db2.gz AVLBYLBZZOKQGZ-AWEZNQCLSA-N 1 2 416.400 0.442 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC[C@@H](O)C(F)(F)F)CC1 ZINC000606133117 1074145464 /nfs/dbraw/zinc/14/54/64/1074145464.db2.gz AVLBYLBZZOKQGZ-CQSZACIVSA-N 1 2 416.400 0.442 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1)[NH+]1CCOCC1 ZINC000606134782 1074129017 /nfs/dbraw/zinc/12/90/17/1074129017.db2.gz UIIFAMMQYRHTKB-AWEZNQCLSA-N 1 2 402.451 0.284 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1)[NH+]1CCOCC1 ZINC000606134797 1074128871 /nfs/dbraw/zinc/12/88/71/1074128871.db2.gz UIIFAMMQYRHTKB-CQSZACIVSA-N 1 2 402.451 0.284 20 0 HCADLO CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606136551 1074132829 /nfs/dbraw/zinc/13/28/29/1074132829.db2.gz MFDJYPPVTAGRDI-BTYIYWSLSA-N 1 2 404.511 0.926 20 0 HCADLO CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606136556 1074132807 /nfs/dbraw/zinc/13/28/07/1074132807.db2.gz MFDJYPPVTAGRDI-QVKFZJNVSA-N 1 2 404.511 0.926 20 0 HCADLO CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606136560 1074132743 /nfs/dbraw/zinc/13/27/43/1074132743.db2.gz MFDJYPPVTAGRDI-VFNWGFHPSA-N 1 2 404.511 0.926 20 0 HCADLO CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606136563 1074132822 /nfs/dbraw/zinc/13/28/22/1074132822.db2.gz MFDJYPPVTAGRDI-YCRPNKLZSA-N 1 2 404.511 0.926 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)C3CCOCC3)cc2)CC1 ZINC000606140359 1074133798 /nfs/dbraw/zinc/13/37/98/1074133798.db2.gz CYWBURKEJJWICU-FQEVSTJZSA-N 1 2 418.538 0.666 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](O)C3CCOCC3)cc2)CC1 ZINC000606140360 1074133957 /nfs/dbraw/zinc/13/39/57/1074133957.db2.gz CYWBURKEJJWICU-HXUWFJFHSA-N 1 2 418.538 0.666 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000606140915 1074133505 /nfs/dbraw/zinc/13/35/05/1074133505.db2.gz HZKVGVNWFKJTJW-BEFAXECRSA-N 1 2 405.495 0.922 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000606140916 1074133480 /nfs/dbraw/zinc/13/34/80/1074133480.db2.gz HZKVGVNWFKJTJW-DNVCBOLYSA-N 1 2 405.495 0.922 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000606140917 1074133397 /nfs/dbraw/zinc/13/33/97/1074133397.db2.gz HZKVGVNWFKJTJW-HNAYVOBHSA-N 1 2 405.495 0.922 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000606140918 1074133861 /nfs/dbraw/zinc/13/38/61/1074133861.db2.gz HZKVGVNWFKJTJW-KXBFYZLASA-N 1 2 405.495 0.922 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H](O)C3CCOCC3)c2)CC1 ZINC000606142800 1074134136 /nfs/dbraw/zinc/13/41/36/1074134136.db2.gz XZNLNWYQLOFGDN-IBGZPJMESA-N 1 2 404.511 0.276 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H](O)C3CCOCC3)c2)CC1 ZINC000606142802 1074133774 /nfs/dbraw/zinc/13/37/74/1074133774.db2.gz XZNLNWYQLOFGDN-LJQANCHMSA-N 1 2 404.511 0.276 20 0 HCADLO CN(C)S(=O)(=O)c1cnn(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000606153848 1074135209 /nfs/dbraw/zinc/13/52/09/1074135209.db2.gz HKUYAKROFLNYCE-UHFFFAOYSA-N 1 2 407.496 0.604 20 0 HCADLO O=C(NC1CC1)c1ccc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC000606156965 1074148326 /nfs/dbraw/zinc/14/83/26/1074148326.db2.gz CLHIYNAFAZSGKD-UHFFFAOYSA-N 1 2 409.494 0.927 20 0 HCADLO O=C(NC1CC1)c1ccc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC000606156965 1074148323 /nfs/dbraw/zinc/14/83/23/1074148323.db2.gz CLHIYNAFAZSGKD-UHFFFAOYSA-N 1 2 409.494 0.927 20 0 HCADLO COCc1cc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n2ncnc2n1 ZINC000606157299 1074149032 /nfs/dbraw/zinc/14/90/32/1074149032.db2.gz UJQKTKLOPHVMNL-UHFFFAOYSA-N 1 2 411.470 0.224 20 0 HCADLO COCc1cc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n2ncnc2n1 ZINC000606157299 1074149027 /nfs/dbraw/zinc/14/90/27/1074149027.db2.gz UJQKTKLOPHVMNL-UHFFFAOYSA-N 1 2 411.470 0.224 20 0 HCADLO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606168446 1074150113 /nfs/dbraw/zinc/15/01/13/1074150113.db2.gz VZYGRCHQDHPEHM-HNNXBMFYSA-N 1 2 403.483 0.027 20 0 HCADLO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606168447 1074150302 /nfs/dbraw/zinc/15/03/02/1074150302.db2.gz VZYGRCHQDHPEHM-OAHLLOKOSA-N 1 2 403.483 0.027 20 0 HCADLO Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606176048 1074150984 /nfs/dbraw/zinc/15/09/84/1074150984.db2.gz GCMVWLFJEHBGAV-UHFFFAOYSA-N 1 2 408.462 0.734 20 0 HCADLO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606231944 1074154024 /nfs/dbraw/zinc/15/40/24/1074154024.db2.gz VQTDPIGWXKRLPN-HNNXBMFYSA-N 1 2 415.494 0.268 20 0 HCADLO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606231945 1074154100 /nfs/dbraw/zinc/15/41/00/1074154100.db2.gz VQTDPIGWXKRLPN-OAHLLOKOSA-N 1 2 415.494 0.268 20 0 HCADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000606238019 1074154643 /nfs/dbraw/zinc/15/46/43/1074154643.db2.gz BUEIRIDKKHUVJQ-IBGZPJMESA-N 1 2 402.495 0.893 20 0 HCADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000606238020 1074154773 /nfs/dbraw/zinc/15/47/73/1074154773.db2.gz BUEIRIDKKHUVJQ-LJQANCHMSA-N 1 2 402.495 0.893 20 0 HCADLO O=C(CCn1cc(Cl)cn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341014 1074161322 /nfs/dbraw/zinc/16/13/22/1074161322.db2.gz AHOQVPYVXKGHKE-UHFFFAOYSA-N 1 2 405.890 0.902 20 0 HCADLO O=C(CCn1cc(Cl)cn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341014 1074161316 /nfs/dbraw/zinc/16/13/16/1074161316.db2.gz AHOQVPYVXKGHKE-UHFFFAOYSA-N 1 2 405.890 0.902 20 0 HCADLO NC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000606341064 1074161295 /nfs/dbraw/zinc/16/12/95/1074161295.db2.gz CZALJZCCZHTMKW-UHFFFAOYSA-N 1 2 402.480 0.436 20 0 HCADLO NC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000606341064 1074161282 /nfs/dbraw/zinc/16/12/82/1074161282.db2.gz CZALJZCCZHTMKW-UHFFFAOYSA-N 1 2 402.480 0.436 20 0 HCADLO Cc1sc(=O)n(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1C ZINC000606341315 1074161194 /nfs/dbraw/zinc/16/11/94/1074161194.db2.gz SLHVGLKLNYZURH-UHFFFAOYSA-N 1 2 418.523 0.502 20 0 HCADLO Cc1sc(=O)n(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1C ZINC000606341315 1074161189 /nfs/dbraw/zinc/16/11/89/1074161189.db2.gz SLHVGLKLNYZURH-UHFFFAOYSA-N 1 2 418.523 0.502 20 0 HCADLO O=C(Cc1cn2ccsc2n1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341338 1074163819 /nfs/dbraw/zinc/16/38/19/1074163819.db2.gz UAMAUHYAQGGHSA-UHFFFAOYSA-N 1 2 413.507 0.914 20 0 HCADLO O=C(Cc1cn2ccsc2n1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341338 1074163810 /nfs/dbraw/zinc/16/38/10/1074163810.db2.gz UAMAUHYAQGGHSA-UHFFFAOYSA-N 1 2 413.507 0.914 20 0 HCADLO O=C(CCOCC(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341391 1074163290 /nfs/dbraw/zinc/16/32/90/1074163290.db2.gz YDQRRAFVVIBNCJ-UHFFFAOYSA-N 1 2 403.405 0.931 20 0 HCADLO O=C(CCOCC(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341391 1074163287 /nfs/dbraw/zinc/16/32/87/1074163287.db2.gz YDQRRAFVVIBNCJ-UHFFFAOYSA-N 1 2 403.405 0.931 20 0 HCADLO CN(C)C(=O)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000606341392 1074163439 /nfs/dbraw/zinc/16/34/39/1074163439.db2.gz YDRRLAPPPXSSDA-UHFFFAOYSA-N 1 2 424.505 0.977 20 0 HCADLO CN(C)C(=O)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000606341392 1074163432 /nfs/dbraw/zinc/16/34/32/1074163432.db2.gz YDRRLAPPPXSSDA-UHFFFAOYSA-N 1 2 424.505 0.977 20 0 HCADLO Cc1ccnc2nc(C(=O)N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)nn21 ZINC000606341426 1074163544 /nfs/dbraw/zinc/16/35/44/1074163544.db2.gz AWCJRZYOHMUFFP-UHFFFAOYSA-N 1 2 409.454 0.022 20 0 HCADLO Cc1ccnc2nc(C(=O)N3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC3)nn21 ZINC000606341426 1074163539 /nfs/dbraw/zinc/16/35/39/1074163539.db2.gz AWCJRZYOHMUFFP-UHFFFAOYSA-N 1 2 409.454 0.022 20 0 HCADLO CC(C)(C)C(=O)NCCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341448 1074163596 /nfs/dbraw/zinc/16/35/96/1074163596.db2.gz CNNALWWBQZONSS-UHFFFAOYSA-N 1 2 418.542 0.904 20 0 HCADLO CC(C)(C)C(=O)NCCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341448 1074163585 /nfs/dbraw/zinc/16/35/85/1074163585.db2.gz CNNALWWBQZONSS-UHFFFAOYSA-N 1 2 418.542 0.904 20 0 HCADLO O=C(c1ccnc(-n2cncn2)c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341450 1074163759 /nfs/dbraw/zinc/16/37/59/1074163759.db2.gz COSKEFMSCARSNS-UHFFFAOYSA-N 1 2 421.465 0.251 20 0 HCADLO O=C(c1ccnc(-n2cncn2)c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341450 1074163751 /nfs/dbraw/zinc/16/37/51/1074163751.db2.gz COSKEFMSCARSNS-UHFFFAOYSA-N 1 2 421.465 0.251 20 0 HCADLO O=C(c1ccccc1-n1cnnn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341458 1074163330 /nfs/dbraw/zinc/16/33/30/1074163330.db2.gz DDNKTUACUKNPSY-UHFFFAOYSA-N 1 2 421.465 0.251 20 0 HCADLO O=C(c1ccccc1-n1cnnn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341458 1074163322 /nfs/dbraw/zinc/16/33/22/1074163322.db2.gz DDNKTUACUKNPSY-UHFFFAOYSA-N 1 2 421.465 0.251 20 0 HCADLO CCC(=O)N1CSC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341471 1074163726 /nfs/dbraw/zinc/16/37/26/1074163726.db2.gz FLLHDAYEJZXJLS-HNNXBMFYSA-N 1 2 420.539 0.273 20 0 HCADLO CCC(=O)N1CSC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341471 1074163718 /nfs/dbraw/zinc/16/37/18/1074163718.db2.gz FLLHDAYEJZXJLS-HNNXBMFYSA-N 1 2 420.539 0.273 20 0 HCADLO CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341472 1074163629 /nfs/dbraw/zinc/16/36/29/1074163629.db2.gz FLLHDAYEJZXJLS-OAHLLOKOSA-N 1 2 420.539 0.273 20 0 HCADLO CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341472 1074163619 /nfs/dbraw/zinc/16/36/19/1074163619.db2.gz FLLHDAYEJZXJLS-OAHLLOKOSA-N 1 2 420.539 0.273 20 0 HCADLO Cc1cc(C)n2nc(C(=O)N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)nc2n1 ZINC000606341506 1074163060 /nfs/dbraw/zinc/16/30/60/1074163060.db2.gz HMQGQOLVLRNVNV-UHFFFAOYSA-N 1 2 423.481 0.330 20 0 HCADLO Cc1cc(C)n2nc(C(=O)N3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC3)nc2n1 ZINC000606341506 1074163056 /nfs/dbraw/zinc/16/30/56/1074163056.db2.gz HMQGQOLVLRNVNV-UHFFFAOYSA-N 1 2 423.481 0.330 20 0 HCADLO CS(=O)(=O)C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCCC1 ZINC000606341550 1074163089 /nfs/dbraw/zinc/16/30/89/1074163089.db2.gz KBJXQHIZJCHRND-UHFFFAOYSA-N 1 2 423.539 0.319 20 0 HCADLO CS(=O)(=O)C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCCC1 ZINC000606341550 1074163083 /nfs/dbraw/zinc/16/30/83/1074163083.db2.gz KBJXQHIZJCHRND-UHFFFAOYSA-N 1 2 423.539 0.319 20 0 HCADLO CC(C)[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCCC1=O ZINC000606341563 1074162659 /nfs/dbraw/zinc/16/26/59/1074162659.db2.gz KUCUUDLRFTYAKS-FQEVSTJZSA-N 1 2 416.526 0.609 20 0 HCADLO CC(C)[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)N1CCCC1=O 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1074162751 /nfs/dbraw/zinc/16/27/51/1074162751.db2.gz BOKQCDGMNGBMMK-QGZVFWFLSA-N 1 2 405.499 0.548 20 0 HCADLO O=C(CCOC[C@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341762 1074162743 /nfs/dbraw/zinc/16/27/43/1074162743.db2.gz BOKQCDGMNGBMMK-QGZVFWFLSA-N 1 2 405.499 0.548 20 0 HCADLO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341777 1074162619 /nfs/dbraw/zinc/16/26/19/1074162619.db2.gz CYIDQGNYQGXDLC-KRWDZBQOSA-N 1 2 416.526 0.609 20 0 HCADLO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341777 1074162614 /nfs/dbraw/zinc/16/26/14/1074162614.db2.gz CYIDQGNYQGXDLC-KRWDZBQOSA-N 1 2 416.526 0.609 20 0 HCADLO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341778 1074163000 /nfs/dbraw/zinc/16/30/00/1074163000.db2.gz CYIDQGNYQGXDLC-QGZVFWFLSA-N 1 2 416.526 0.609 20 0 HCADLO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341778 1074162990 /nfs/dbraw/zinc/16/29/90/1074162990.db2.gz 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CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341805 1074162176 /nfs/dbraw/zinc/16/21/76/1074162176.db2.gz FZOFYJFWUIHQTH-QGZVFWFLSA-N 1 2 416.526 0.753 20 0 HCADLO CC(C)CN1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1=O ZINC000606341820 1074162035 /nfs/dbraw/zinc/16/20/35/1074162035.db2.gz HADVEVPGDQGMNT-KRWDZBQOSA-N 1 2 416.526 0.466 20 0 HCADLO CC(C)CN1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1=O ZINC000606341820 1074162027 /nfs/dbraw/zinc/16/20/27/1074162027.db2.gz HADVEVPGDQGMNT-KRWDZBQOSA-N 1 2 416.526 0.466 20 0 HCADLO CC(C)CN1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1=O ZINC000606341821 1074161844 /nfs/dbraw/zinc/16/18/44/1074161844.db2.gz HADVEVPGDQGMNT-QGZVFWFLSA-N 1 2 416.526 0.466 20 0 HCADLO CC(C)CN1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1=O ZINC000606341821 1074161836 /nfs/dbraw/zinc/16/18/36/1074161836.db2.gz HADVEVPGDQGMNT-QGZVFWFLSA-N 1 2 416.526 0.466 20 0 HCADLO CC(C)CS(=O)(=O)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341833 1074161958 /nfs/dbraw/zinc/16/19/58/1074161958.db2.gz IDKOYUYYAOPNMD-UHFFFAOYSA-N 1 2 411.528 0.033 20 0 HCADLO CC(C)CS(=O)(=O)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341833 1074161949 /nfs/dbraw/zinc/16/19/49/1074161949.db2.gz IDKOYUYYAOPNMD-UHFFFAOYSA-N 1 2 411.528 0.033 20 0 HCADLO C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341842 1074161800 /nfs/dbraw/zinc/16/18/00/1074161800.db2.gz IVRDBPKZRXCNPQ-DLBZAZTESA-N 1 2 405.499 0.546 20 0 HCADLO C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341842 1074161793 /nfs/dbraw/zinc/16/17/93/1074161793.db2.gz IVRDBPKZRXCNPQ-DLBZAZTESA-N 1 2 405.499 0.546 20 0 HCADLO C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341843 1074162079 /nfs/dbraw/zinc/16/20/79/1074162079.db2.gz IVRDBPKZRXCNPQ-IAGOWNOFSA-N 1 2 405.499 0.546 20 0 HCADLO C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341843 1074162074 /nfs/dbraw/zinc/16/20/74/1074162074.db2.gz IVRDBPKZRXCNPQ-IAGOWNOFSA-N 1 2 405.499 0.546 20 0 HCADLO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341844 1074161987 /nfs/dbraw/zinc/16/19/87/1074161987.db2.gz IVRDBPKZRXCNPQ-IRXDYDNUSA-N 1 2 405.499 0.546 20 0 HCADLO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341844 1074161978 /nfs/dbraw/zinc/16/19/78/1074161978.db2.gz IVRDBPKZRXCNPQ-IRXDYDNUSA-N 1 2 405.499 0.546 20 0 HCADLO C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341845 1074161874 /nfs/dbraw/zinc/16/18/74/1074161874.db2.gz IVRDBPKZRXCNPQ-SJORKVTESA-N 1 2 405.499 0.546 20 0 HCADLO C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341845 1074161865 /nfs/dbraw/zinc/16/18/65/1074161865.db2.gz IVRDBPKZRXCNPQ-SJORKVTESA-N 1 2 405.499 0.546 20 0 HCADLO O=C(c1cnc2ccccn2c1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341847 1074162130 /nfs/dbraw/zinc/16/21/30/1074162130.db2.gz JBJPAJLCEITDER-UHFFFAOYSA-N 1 2 421.461 0.284 20 0 HCADLO O=C(c1cnc2ccccn2c1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341847 1074162126 /nfs/dbraw/zinc/16/21/26/1074162126.db2.gz JBJPAJLCEITDER-UHFFFAOYSA-N 1 2 421.461 0.284 20 0 HCADLO C[C@H](Sc1nncn1C)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341872 1074162168 /nfs/dbraw/zinc/16/21/68/1074162168.db2.gz KPPBLYWTYUWKJX-AWEZNQCLSA-N 1 2 418.527 0.271 20 0 HCADLO C[C@H](Sc1nncn1C)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341872 1074162162 /nfs/dbraw/zinc/16/21/62/1074162162.db2.gz KPPBLYWTYUWKJX-AWEZNQCLSA-N 1 2 418.527 0.271 20 0 HCADLO C[C@@H](Sc1nncn1C)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341873 1074161928 /nfs/dbraw/zinc/16/19/28/1074161928.db2.gz KPPBLYWTYUWKJX-CQSZACIVSA-N 1 2 418.527 0.271 20 0 HCADLO C[C@@H](Sc1nncn1C)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341873 1074161920 /nfs/dbraw/zinc/16/19/20/1074161920.db2.gz KPPBLYWTYUWKJX-CQSZACIVSA-N 1 2 418.527 0.271 20 0 HCADLO CC(=O)NCCCCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341878 1074162201 /nfs/dbraw/zinc/16/22/01/1074162201.db2.gz LKFPPXABAJUURP-UHFFFAOYSA-N 1 2 404.515 0.658 20 0 HCADLO CC(=O)NCCCCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341878 1074162196 /nfs/dbraw/zinc/16/21/96/1074162196.db2.gz LKFPPXABAJUURP-UHFFFAOYSA-N 1 2 404.515 0.658 20 0 HCADLO Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341895 1074162120 /nfs/dbraw/zinc/16/21/20/1074162120.db2.gz MZGVHRTXGFKVOH-UHFFFAOYSA-N 1 2 413.482 0.195 20 0 HCADLO Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341895 1074162112 /nfs/dbraw/zinc/16/21/12/1074162112.db2.gz MZGVHRTXGFKVOH-UHFFFAOYSA-N 1 2 413.482 0.195 20 0 HCADLO Cn1ncc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1C(F)F ZINC000606341896 1074162189 /nfs/dbraw/zinc/16/21/89/1074162189.db2.gz NBTLLXAAZKRIPG-UHFFFAOYSA-N 1 2 407.425 0.947 20 0 HCADLO Cn1ncc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1C(F)F ZINC000606341896 1074162186 /nfs/dbraw/zinc/16/21/86/1074162186.db2.gz NBTLLXAAZKRIPG-UHFFFAOYSA-N 1 2 407.425 0.947 20 0 HCADLO O=C(c1cc(-n2cccn2)ccn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341900 1074161817 /nfs/dbraw/zinc/16/18/17/1074161817.db2.gz NDUUJWFKOVGDRJ-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO O=C(c1cc(-n2cccn2)ccn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341900 1074161811 /nfs/dbraw/zinc/16/18/11/1074161811.db2.gz NDUUJWFKOVGDRJ-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)o1 ZINC000606341907 1074162970 /nfs/dbraw/zinc/16/29/70/1074162970.db2.gz NOAZEWVHPUOVDY-UHFFFAOYSA-N 1 2 421.479 0.272 20 0 HCADLO CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)o1 ZINC000606341907 1074162962 /nfs/dbraw/zinc/16/29/62/1074162962.db2.gz NOAZEWVHPUOVDY-UHFFFAOYSA-N 1 2 421.479 0.272 20 0 HCADLO Cc1nn2cccnc2c1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341976 1074161229 /nfs/dbraw/zinc/16/12/29/1074161229.db2.gz SRCLMHBCGSVFBD-UHFFFAOYSA-N 1 2 408.466 0.627 20 0 HCADLO Cc1nn2cccnc2c1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341976 1074161223 /nfs/dbraw/zinc/16/12/23/1074161223.db2.gz SRCLMHBCGSVFBD-UHFFFAOYSA-N 1 2 408.466 0.627 20 0 HCADLO COc1ncnc(OC)c1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606341980 1074161407 /nfs/dbraw/zinc/16/14/07/1074161407.db2.gz TUILRWDWUDTCCS-UHFFFAOYSA-N 1 2 415.454 0.083 20 0 HCADLO COc1ncnc(OC)c1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606341980 1074161404 /nfs/dbraw/zinc/16/14/04/1074161404.db2.gz TUILRWDWUDTCCS-UHFFFAOYSA-N 1 2 415.454 0.083 20 0 HCADLO CC(C)(C)N1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1=O ZINC000606342003 1074161482 /nfs/dbraw/zinc/16/14/82/1074161482.db2.gz UQZATOLRMXRSPP-INIZCTEOSA-N 1 2 416.526 0.609 20 0 HCADLO CC(C)(C)N1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1=O ZINC000606342003 1074161479 /nfs/dbraw/zinc/16/14/79/1074161479.db2.gz UQZATOLRMXRSPP-INIZCTEOSA-N 1 2 416.526 0.609 20 0 HCADLO CC(C)(C)N1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1=O ZINC000606342004 1074161458 /nfs/dbraw/zinc/16/14/58/1074161458.db2.gz UQZATOLRMXRSPP-MRXNPFEDSA-N 1 2 416.526 0.609 20 0 HCADLO CC(C)(C)N1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1=O ZINC000606342004 1074161448 /nfs/dbraw/zinc/16/14/48/1074161448.db2.gz UQZATOLRMXRSPP-MRXNPFEDSA-N 1 2 416.526 0.609 20 0 HCADLO CC(=O)N[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCCC1 ZINC000606342006 1074162144 /nfs/dbraw/zinc/16/21/44/1074162144.db2.gz UVXGQNQXFIMXHW-FQEVSTJZSA-N 1 2 416.526 0.657 20 0 HCADLO CC(=O)N[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCCC1 ZINC000606342006 1074162142 /nfs/dbraw/zinc/16/21/42/1074162142.db2.gz UVXGQNQXFIMXHW-FQEVSTJZSA-N 1 2 416.526 0.657 20 0 HCADLO O=C(CN1CCCCCC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606342023 1074162011 /nfs/dbraw/zinc/16/20/11/1074162011.db2.gz WDHFPPBKGNDSHH-UHFFFAOYSA-N 1 2 402.499 0.364 20 0 HCADLO O=C(CN1CCCCCC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606342023 1074162005 /nfs/dbraw/zinc/16/20/05/1074162005.db2.gz WDHFPPBKGNDSHH-UHFFFAOYSA-N 1 2 402.499 0.364 20 0 HCADLO Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606342040 1074162103 /nfs/dbraw/zinc/16/21/03/1074162103.db2.gz YBXSZAFVKRVDSQ-UHFFFAOYSA-N 1 2 413.526 0.945 20 0 HCADLO Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606342040 1074162098 /nfs/dbraw/zinc/16/20/98/1074162098.db2.gz YBXSZAFVKRVDSQ-UHFFFAOYSA-N 1 2 413.526 0.945 20 0 HCADLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606345927 1074156784 /nfs/dbraw/zinc/15/67/84/1074156784.db2.gz VBZJTABOGHJAOE-UHFFFAOYSA-N 1 2 413.503 0.960 20 0 HCADLO Cc1cc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606348635 1074157580 /nfs/dbraw/zinc/15/75/80/1074157580.db2.gz KIHOAUHKTOJOBI-HNNXBMFYSA-N 1 2 417.510 0.417 20 0 HCADLO Cc1cc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606348636 1074157670 /nfs/dbraw/zinc/15/76/70/1074157670.db2.gz KIHOAUHKTOJOBI-OAHLLOKOSA-N 1 2 417.510 0.417 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000606348971 1074157613 /nfs/dbraw/zinc/15/76/13/1074157613.db2.gz MLAMSDOBCWVZST-UHFFFAOYSA-N 1 2 424.440 0.994 20 0 HCADLO C[C@@H](Cc1ccccc1F)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000606350896 1074158151 /nfs/dbraw/zinc/15/81/51/1074158151.db2.gz SPHHZWRGRGIEAQ-INIZCTEOSA-N 1 2 412.531 0.641 20 0 HCADLO C[C@H](Cc1ccccc1F)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000606350897 1074158052 /nfs/dbraw/zinc/15/80/52/1074158052.db2.gz SPHHZWRGRGIEAQ-MRXNPFEDSA-N 1 2 412.531 0.641 20 0 HCADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000606369893 1074167071 /nfs/dbraw/zinc/16/70/71/1074167071.db2.gz SYSIBRFUYYUIFM-INIZCTEOSA-N 1 2 417.535 0.598 20 0 HCADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000606369894 1074167010 /nfs/dbraw/zinc/16/70/10/1074167010.db2.gz SYSIBRFUYYUIFM-MRXNPFEDSA-N 1 2 417.535 0.598 20 0 HCADLO O=C(Cc1csc(-c2ccoc2)n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000606373489 1074168363 /nfs/dbraw/zinc/16/83/63/1074168363.db2.gz BBVGWPSPCIMKDT-HNNXBMFYSA-N 1 2 404.492 0.995 20 0 HCADLO O=C(Cc1csc(-c2ccoc2)n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000606373490 1074168299 /nfs/dbraw/zinc/16/82/99/1074168299.db2.gz BBVGWPSPCIMKDT-OAHLLOKOSA-N 1 2 404.492 0.995 20 0 HCADLO O=C(CCN1C(=O)CCc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000606373499 1074168215 /nfs/dbraw/zinc/16/82/15/1074168215.db2.gz BROBFRKNLJDYPS-GOSISDBHSA-N 1 2 414.506 0.405 20 0 HCADLO O=C(CCN1C(=O)CCc2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000606373500 1074168259 /nfs/dbraw/zinc/16/82/59/1074168259.db2.gz BROBFRKNLJDYPS-SFHVURJKSA-N 1 2 414.506 0.405 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(N2CCNC2=O)ccc1F ZINC000606373827 1074167565 /nfs/dbraw/zinc/16/75/65/1074167565.db2.gz YWHYGCRJGJMMAO-AWEZNQCLSA-N 1 2 419.457 0.018 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(N2CCNC2=O)ccc1F ZINC000606373828 1074167651 /nfs/dbraw/zinc/16/76/51/1074167651.db2.gz YWHYGCRJGJMMAO-CQSZACIVSA-N 1 2 419.457 0.018 20 0 HCADLO CCc1nc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000606382698 1074168928 /nfs/dbraw/zinc/16/89/28/1074168928.db2.gz OJTDFGWFLOKFBP-CVEARBPZSA-N 1 2 405.499 0.866 20 0 HCADLO CCc1nc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000606382699 1074169020 /nfs/dbraw/zinc/16/90/20/1074169020.db2.gz OJTDFGWFLOKFBP-HOTGVXAUSA-N 1 2 405.499 0.866 20 0 HCADLO CCc1nc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000606382700 1074169049 /nfs/dbraw/zinc/16/90/49/1074169049.db2.gz OJTDFGWFLOKFBP-HZPDHXFCSA-N 1 2 405.499 0.866 20 0 HCADLO CCc1nc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000606382701 1074168846 /nfs/dbraw/zinc/16/88/46/1074168846.db2.gz OJTDFGWFLOKFBP-JKSUJKDBSA-N 1 2 405.499 0.866 20 0 HCADLO COc1cccc(OCCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000606394570 1074172469 /nfs/dbraw/zinc/17/24/69/1074172469.db2.gz OAHBKRBTJZFRHC-KRWDZBQOSA-N 1 2 405.495 0.761 20 0 HCADLO COc1cccc(OCCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000606394571 1074172573 /nfs/dbraw/zinc/17/25/73/1074172573.db2.gz OAHBKRBTJZFRHC-QGZVFWFLSA-N 1 2 405.495 0.761 20 0 HCADLO CCc1ccc(C[NH+]2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)s1 ZINC000606394755 1074172486 /nfs/dbraw/zinc/17/24/86/1074172486.db2.gz GUUAIRHMDQGSOX-UHFFFAOYSA-N 1 2 400.570 0.870 20 0 HCADLO CCc1ccc(C[NH+]2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000606395363 1074172592 /nfs/dbraw/zinc/17/25/92/1074172592.db2.gz DERILSFLPCDUPE-UHFFFAOYSA-N 1 2 411.553 0.667 20 0 HCADLO CCc1ccc(C[NH+]2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)s1 ZINC000606395897 1074173060 /nfs/dbraw/zinc/17/30/60/1074173060.db2.gz ZCDVPQOFBIYBLW-UHFFFAOYSA-N 1 2 411.553 0.889 20 0 HCADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000606397769 1074173832 /nfs/dbraw/zinc/17/38/32/1074173832.db2.gz ALKASYIJALUVPK-UHFFFAOYSA-N 1 2 407.496 0.478 20 0 HCADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000606397816 1074173806 /nfs/dbraw/zinc/17/38/06/1074173806.db2.gz FZRAUEKAIYTTJT-UHFFFAOYSA-N 1 2 407.496 0.700 20 0 HCADLO Cc1nc(S(=O)(=O)NCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cn1C ZINC000606398023 1074173689 /nfs/dbraw/zinc/17/36/89/1074173689.db2.gz VPDFELIQDLKOPX-UHFFFAOYSA-N 1 2 421.523 0.786 20 0 HCADLO Cc1ccoc1C(=O)NCCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000606417801 1074169582 /nfs/dbraw/zinc/16/95/82/1074169582.db2.gz UJXDSIIYOYZIIG-INIZCTEOSA-N 1 2 406.483 0.005 20 0 HCADLO Cc1ccoc1C(=O)NCCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000606417802 1074169521 /nfs/dbraw/zinc/16/95/21/1074169521.db2.gz UJXDSIIYOYZIIG-MRXNPFEDSA-N 1 2 406.483 0.005 20 0 HCADLO O=C(N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@]12CCC(=O)N1CCS2 ZINC000606427961 1074184247 /nfs/dbraw/zinc/18/42/47/1074184247.db2.gz AFDMXWLXTVKKIF-IBGZPJMESA-N 1 2 418.523 0.027 20 0 HCADLO O=C(N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@]12CCC(=O)N1CCS2 ZINC000606427961 1074184243 /nfs/dbraw/zinc/18/42/43/1074184243.db2.gz AFDMXWLXTVKKIF-IBGZPJMESA-N 1 2 418.523 0.027 20 0 HCADLO O=C(N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@]12CCC(=O)N1CCS2 ZINC000606427962 1074184316 /nfs/dbraw/zinc/18/43/16/1074184316.db2.gz AFDMXWLXTVKKIF-LJQANCHMSA-N 1 2 418.523 0.027 20 0 HCADLO O=C(N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@]12CCC(=O)N1CCS2 ZINC000606427962 1074184306 /nfs/dbraw/zinc/18/43/06/1074184306.db2.gz AFDMXWLXTVKKIF-LJQANCHMSA-N 1 2 418.523 0.027 20 0 HCADLO Cc1[nH]nc2ncc(C(=O)N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)cc12 ZINC000606427964 1074184092 /nfs/dbraw/zinc/18/40/92/1074184092.db2.gz AGQKBOUNKLTDJR-UHFFFAOYSA-N 1 2 408.466 0.855 20 0 HCADLO Cc1[nH]nc2ncc(C(=O)N3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC3)cc12 ZINC000606427964 1074184084 /nfs/dbraw/zinc/18/40/84/1074184084.db2.gz AGQKBOUNKLTDJR-UHFFFAOYSA-N 1 2 408.466 0.855 20 0 HCADLO O=C(CC1CCCC1)NCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606427968 1074184340 /nfs/dbraw/zinc/18/43/40/1074184340.db2.gz AWBWNLZGHBFJMS-UHFFFAOYSA-N 1 2 416.526 0.658 20 0 HCADLO O=C(CC1CCCC1)NCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606427968 1074184336 /nfs/dbraw/zinc/18/43/36/1074184336.db2.gz AWBWNLZGHBFJMS-UHFFFAOYSA-N 1 2 416.526 0.658 20 0 HCADLO O=C(NC1CC1)C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000606427974 1074184008 /nfs/dbraw/zinc/18/40/08/1074184008.db2.gz BEGFURWPVZGGRX-UHFFFAOYSA-N 1 2 400.483 0.021 20 0 HCADLO O=C(NC1CC1)C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000606427974 1074184003 /nfs/dbraw/zinc/18/40/03/1074184003.db2.gz BEGFURWPVZGGRX-UHFFFAOYSA-N 1 2 400.483 0.021 20 0 HCADLO CCCC[C@H](NC(N)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428018 1074184035 /nfs/dbraw/zinc/18/40/35/1074184035.db2.gz FDRPJFLMHAKFPP-HNNXBMFYSA-N 1 2 405.503 0.189 20 0 HCADLO CCCC[C@H](NC(N)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428018 1074184026 /nfs/dbraw/zinc/18/40/26/1074184026.db2.gz FDRPJFLMHAKFPP-HNNXBMFYSA-N 1 2 405.503 0.189 20 0 HCADLO CCCC[C@@H](NC(N)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428019 1074184182 /nfs/dbraw/zinc/18/41/82/1074184182.db2.gz FDRPJFLMHAKFPP-OAHLLOKOSA-N 1 2 405.503 0.189 20 0 HCADLO CCCC[C@@H](NC(N)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428019 1074184174 /nfs/dbraw/zinc/18/41/74/1074184174.db2.gz FDRPJFLMHAKFPP-OAHLLOKOSA-N 1 2 405.503 0.189 20 0 HCADLO O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428048 1074184228 /nfs/dbraw/zinc/18/42/28/1074184228.db2.gz GDOLBZVNTSIYJG-UHFFFAOYSA-N 1 2 423.477 0.717 20 0 HCADLO O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428048 1074184223 /nfs/dbraw/zinc/18/42/23/1074184223.db2.gz GDOLBZVNTSIYJG-UHFFFAOYSA-N 1 2 423.477 0.717 20 0 HCADLO Cc1noc(CCCC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000606428050 1074183965 /nfs/dbraw/zinc/18/39/65/1074183965.db2.gz GGTTYFPPJPYSPO-UHFFFAOYSA-N 1 2 401.471 0.676 20 0 HCADLO Cc1noc(CCCC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000606428050 1074183957 /nfs/dbraw/zinc/18/39/57/1074183957.db2.gz GGTTYFPPJPYSPO-UHFFFAOYSA-N 1 2 401.471 0.676 20 0 HCADLO Cn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)ccc21 ZINC000606428077 1074183462 /nfs/dbraw/zinc/18/34/62/1074183462.db2.gz HLHUEIRGEVPOTD-UHFFFAOYSA-N 1 2 423.477 0.868 20 0 HCADLO Cn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC3)ccc21 ZINC000606428077 1074183460 /nfs/dbraw/zinc/18/34/60/1074183460.db2.gz HLHUEIRGEVPOTD-UHFFFAOYSA-N 1 2 423.477 0.868 20 0 HCADLO CC(C)CCC(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428079 1074183434 /nfs/dbraw/zinc/18/34/34/1074183434.db2.gz HNXHYVYXPYYOKC-UHFFFAOYSA-N 1 2 404.515 0.514 20 0 HCADLO CC(C)CCC(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428079 1074183427 /nfs/dbraw/zinc/18/34/27/1074183427.db2.gz HNXHYVYXPYYOKC-UHFFFAOYSA-N 1 2 404.515 0.514 20 0 HCADLO Cc1nc(C)c(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(=O)[nH]1 ZINC000606428099 1074183451 /nfs/dbraw/zinc/18/34/51/1074183451.db2.gz JEIPFKCMNOLGGE-UHFFFAOYSA-N 1 2 413.482 0.317 20 0 HCADLO Cc1nc(C)c(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(=O)[nH]1 ZINC000606428099 1074183446 /nfs/dbraw/zinc/18/34/46/1074183446.db2.gz JEIPFKCMNOLGGE-UHFFFAOYSA-N 1 2 413.482 0.317 20 0 HCADLO O=C(c1n[nH]c(=O)c2ccccc21)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428106 1074183299 /nfs/dbraw/zinc/18/32/99/1074183299.db2.gz JPGDQLSZIOJFKE-UHFFFAOYSA-N 1 2 421.461 0.924 20 0 HCADLO O=C(c1n[nH]c(=O)c2ccccc21)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428106 1074183289 /nfs/dbraw/zinc/18/32/89/1074183289.db2.gz JPGDQLSZIOJFKE-UHFFFAOYSA-N 1 2 421.461 0.924 20 0 HCADLO CC(=O)Nc1nc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cs1 ZINC000606428115 1074183244 /nfs/dbraw/zinc/18/32/44/1074183244.db2.gz KERIAOXLNYFUOQ-UHFFFAOYSA-N 1 2 417.495 0.691 20 0 HCADLO CC(=O)Nc1nc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cs1 ZINC000606428115 1074183225 /nfs/dbraw/zinc/18/32/25/1074183225.db2.gz KERIAOXLNYFUOQ-UHFFFAOYSA-N 1 2 417.495 0.691 20 0 HCADLO O=C(c1ccc2c(c1)OCC(=O)N2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428124 1074183166 /nfs/dbraw/zinc/18/31/66/1074183166.db2.gz KWFJMEPODXOCHA-UHFFFAOYSA-N 1 2 424.461 0.607 20 0 HCADLO O=C(c1ccc2c(c1)OCC(=O)N2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428124 1074183155 /nfs/dbraw/zinc/18/31/55/1074183155.db2.gz KWFJMEPODXOCHA-UHFFFAOYSA-N 1 2 424.461 0.607 20 0 HCADLO O=C(Cc1ccccc1)NCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428129 1074183130 /nfs/dbraw/zinc/18/31/30/1074183130.db2.gz LOTHGYDYFBIMAT-UHFFFAOYSA-N 1 2 424.505 0.321 20 0 HCADLO O=C(Cc1ccccc1)NCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428129 1074183120 /nfs/dbraw/zinc/18/31/20/1074183120.db2.gz LOTHGYDYFBIMAT-UHFFFAOYSA-N 1 2 424.505 0.321 20 0 HCADLO Cn1ncc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1-n1cccc1 ZINC000606428138 1074183503 /nfs/dbraw/zinc/18/35/03/1074183503.db2.gz LYRGJZFAIASRFT-UHFFFAOYSA-N 1 2 422.493 0.800 20 0 HCADLO Cn1ncc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1-n1cccc1 ZINC000606428138 1074183499 /nfs/dbraw/zinc/18/34/99/1074183499.db2.gz LYRGJZFAIASRFT-UHFFFAOYSA-N 1 2 422.493 0.800 20 0 HCADLO NC(=O)Nc1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000606428151 1074184160 /nfs/dbraw/zinc/18/41/60/1074184160.db2.gz NEIZOVXFYVEATN-UHFFFAOYSA-N 1 2 411.466 0.766 20 0 HCADLO NC(=O)Nc1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000606428151 1074184155 /nfs/dbraw/zinc/18/41/55/1074184155.db2.gz NEIZOVXFYVEATN-UHFFFAOYSA-N 1 2 411.466 0.766 20 0 HCADLO O=C(c1ccc(-n2cncn2)cc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428183 1074184359 /nfs/dbraw/zinc/18/43/59/1074184359.db2.gz OKRYQTZKDVTZCC-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO O=C(c1ccc(-n2cncn2)cc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428183 1074184354 /nfs/dbraw/zinc/18/43/54/1074184354.db2.gz OKRYQTZKDVTZCC-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO O=C(c1ccc(-n2cncn2)nc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428191 1074184059 /nfs/dbraw/zinc/18/40/59/1074184059.db2.gz PGDNBPFWHYJHLI-UHFFFAOYSA-N 1 2 421.465 0.251 20 0 HCADLO O=C(c1ccc(-n2cncn2)nc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428191 1074184054 /nfs/dbraw/zinc/18/40/54/1074184054.db2.gz PGDNBPFWHYJHLI-UHFFFAOYSA-N 1 2 421.465 0.251 20 0 HCADLO O=C(c1ccc(-n2cnnn2)cc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428219 1074183399 /nfs/dbraw/zinc/18/33/99/1074183399.db2.gz QYYUUWDTALJBNA-UHFFFAOYSA-N 1 2 421.465 0.251 20 0 HCADLO O=C(c1ccc(-n2cnnn2)cc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428219 1074183396 /nfs/dbraw/zinc/18/33/96/1074183396.db2.gz QYYUUWDTALJBNA-UHFFFAOYSA-N 1 2 421.465 0.251 20 0 HCADLO Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000606428221 1074183368 /nfs/dbraw/zinc/18/33/68/1074183368.db2.gz RACXVKOWXMLUHC-UHFFFAOYSA-N 1 2 410.478 0.909 20 0 HCADLO Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000606428221 1074183356 /nfs/dbraw/zinc/18/33/56/1074183356.db2.gz RACXVKOWXMLUHC-UHFFFAOYSA-N 1 2 410.478 0.909 20 0 HCADLO O=C(CNC(=O)c1cccs1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428228 1074183487 /nfs/dbraw/zinc/18/34/87/1074183487.db2.gz RFVKKDAFHLINMF-UHFFFAOYSA-N 1 2 416.507 0.453 20 0 HCADLO O=C(CNC(=O)c1cccs1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428228 1074183485 /nfs/dbraw/zinc/18/34/85/1074183485.db2.gz RFVKKDAFHLINMF-UHFFFAOYSA-N 1 2 416.507 0.453 20 0 HCADLO C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428270 1074183320 /nfs/dbraw/zinc/18/33/20/1074183320.db2.gz VRULFHOTJOWZAC-HNNXBMFYSA-N 1 2 414.466 0.373 20 0 HCADLO C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428270 1074183316 /nfs/dbraw/zinc/18/33/16/1074183316.db2.gz VRULFHOTJOWZAC-HNNXBMFYSA-N 1 2 414.466 0.373 20 0 HCADLO C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428271 1074183198 /nfs/dbraw/zinc/18/31/98/1074183198.db2.gz VRULFHOTJOWZAC-OAHLLOKOSA-N 1 2 414.466 0.373 20 0 HCADLO C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428271 1074183192 /nfs/dbraw/zinc/18/31/92/1074183192.db2.gz VRULFHOTJOWZAC-OAHLLOKOSA-N 1 2 414.466 0.373 20 0 HCADLO O=C(c1ccc(-n2cnnc2)cc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428321 1074183341 /nfs/dbraw/zinc/18/33/41/1074183341.db2.gz YXWVAVNBMAEMNP-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO O=C(c1ccc(-n2cnnc2)cc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428321 1074183335 /nfs/dbraw/zinc/18/33/35/1074183335.db2.gz YXWVAVNBMAEMNP-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO COc1c(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(C)nn1C ZINC000606428323 1074183263 /nfs/dbraw/zinc/18/32/63/1074183263.db2.gz ZDCHEEZYMGBUFS-UHFFFAOYSA-N 1 2 401.471 0.326 20 0 HCADLO COc1c(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(C)nn1C ZINC000606428323 1074183260 /nfs/dbraw/zinc/18/32/60/1074183260.db2.gz ZDCHEEZYMGBUFS-UHFFFAOYSA-N 1 2 401.471 0.326 20 0 HCADLO 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ZINC000606490986 1074188454 /nfs/dbraw/zinc/18/84/54/1074188454.db2.gz GLPTXFFDPJQERZ-INIZCTEOSA-N 1 2 419.530 0.450 20 0 HCADLO CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606490987 1074188752 /nfs/dbraw/zinc/18/87/52/1074188752.db2.gz GLPTXFFDPJQERZ-MRXNPFEDSA-N 1 2 419.530 0.450 20 0 HCADLO CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606490987 1074188745 /nfs/dbraw/zinc/18/87/45/1074188745.db2.gz GLPTXFFDPJQERZ-MRXNPFEDSA-N 1 2 419.530 0.450 20 0 HCADLO CCCNC(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606491761 1074188774 /nfs/dbraw/zinc/18/87/74/1074188774.db2.gz WNBGHPQBUQPHBX-UHFFFAOYSA-N 1 2 405.503 0.061 20 0 HCADLO CCCNC(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606491761 1074188766 /nfs/dbraw/zinc/18/87/66/1074188766.db2.gz WNBGHPQBUQPHBX-UHFFFAOYSA-N 1 2 405.503 0.061 20 0 HCADLO Cc1noc(CN2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)n1 ZINC000606491808 1074188701 /nfs/dbraw/zinc/18/87/01/1074188701.db2.gz 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COCCOCCCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606496027 1074183990 /nfs/dbraw/zinc/18/39/90/1074183990.db2.gz CIYKWEIVQRDVSN-UHFFFAOYSA-N 1 2 422.530 0.588 20 0 HCADLO COCCOCCCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606496027 1074183985 /nfs/dbraw/zinc/18/39/85/1074183985.db2.gz CIYKWEIVQRDVSN-UHFFFAOYSA-N 1 2 422.530 0.588 20 0 HCADLO Cc1noc(CCCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000606498703 1074185218 /nfs/dbraw/zinc/18/52/18/1074185218.db2.gz PAJHXPSBSOUOPU-UHFFFAOYSA-N 1 2 416.486 0.469 20 0 HCADLO Cc1noc(CCCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000606498703 1074185207 /nfs/dbraw/zinc/18/52/07/1074185207.db2.gz PAJHXPSBSOUOPU-UHFFFAOYSA-N 1 2 416.486 0.469 20 0 HCADLO CC(C)(C)NC(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606499104 1074184118 /nfs/dbraw/zinc/18/41/18/1074184118.db2.gz IZSNWDYXCYBRFD-UHFFFAOYSA-N 1 2 419.530 0.450 20 0 HCADLO CC(C)(C)NC(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606499104 1074184113 /nfs/dbraw/zinc/18/41/13/1074184113.db2.gz IZSNWDYXCYBRFD-UHFFFAOYSA-N 1 2 419.530 0.450 20 0 HCADLO Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606499497 1074184942 /nfs/dbraw/zinc/18/49/42/1074184942.db2.gz XRXRTVBTBMKLFZ-HNNXBMFYSA-N 1 2 414.514 0.948 20 0 HCADLO Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606499497 1074184940 /nfs/dbraw/zinc/18/49/40/1074184940.db2.gz XRXRTVBTBMKLFZ-HNNXBMFYSA-N 1 2 414.514 0.948 20 0 HCADLO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606499498 1074184844 /nfs/dbraw/zinc/18/48/44/1074184844.db2.gz XRXRTVBTBMKLFZ-OAHLLOKOSA-N 1 2 414.514 0.948 20 0 HCADLO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606499498 1074184835 /nfs/dbraw/zinc/18/48/35/1074184835.db2.gz XRXRTVBTBMKLFZ-OAHLLOKOSA-N 1 2 414.514 0.948 20 0 HCADLO CC(C)(C)C(=O)NCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606500684 1074184926 /nfs/dbraw/zinc/18/49/26/1074184926.db2.gz BDCKXECIQFVCBA-UHFFFAOYSA-N 1 2 419.530 0.307 20 0 HCADLO CC(C)(C)C(=O)NCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606500684 1074184916 /nfs/dbraw/zinc/18/49/16/1074184916.db2.gz BDCKXECIQFVCBA-UHFFFAOYSA-N 1 2 419.530 0.307 20 0 HCADLO Cc1noc(C)c1CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606501886 1074185854 /nfs/dbraw/zinc/18/58/54/1074185854.db2.gz QSFQYDSNRQWTCI-UHFFFAOYSA-N 1 2 415.498 0.992 20 0 HCADLO Cc1noc(C)c1CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606501886 1074185848 /nfs/dbraw/zinc/18/58/48/1074185848.db2.gz QSFQYDSNRQWTCI-UHFFFAOYSA-N 1 2 415.498 0.992 20 0 HCADLO O=C(NCCOC[C@H]1CCOC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606503867 1074190277 /nfs/dbraw/zinc/19/02/77/1074190277.db2.gz KZTFZQOZAMFJQY-KRWDZBQOSA-N 1 2 420.514 0.198 20 0 HCADLO O=C(NCCOC[C@H]1CCOC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606503867 1074190267 /nfs/dbraw/zinc/19/02/67/1074190267.db2.gz KZTFZQOZAMFJQY-KRWDZBQOSA-N 1 2 420.514 0.198 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606503868 1074190200 /nfs/dbraw/zinc/19/02/00/1074190200.db2.gz KZTFZQOZAMFJQY-QGZVFWFLSA-N 1 2 420.514 0.198 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606503868 1074190186 /nfs/dbraw/zinc/19/01/86/1074190186.db2.gz KZTFZQOZAMFJQY-QGZVFWFLSA-N 1 2 420.514 0.198 20 0 HCADLO C[C@@H](CN1CCCC1=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606510170 1074191157 /nfs/dbraw/zinc/19/11/57/1074191157.db2.gz GWICMKXTNKRSJF-INIZCTEOSA-N 1 2 417.514 0.156 20 0 HCADLO C[C@@H](CN1CCCC1=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606510170 1074191145 /nfs/dbraw/zinc/19/11/45/1074191145.db2.gz GWICMKXTNKRSJF-INIZCTEOSA-N 1 2 417.514 0.156 20 0 HCADLO C[C@H](CN1CCCC1=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606510171 1074190831 /nfs/dbraw/zinc/19/08/31/1074190831.db2.gz GWICMKXTNKRSJF-MRXNPFEDSA-N 1 2 417.514 0.156 20 0 HCADLO C[C@H](CN1CCCC1=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606510171 1074190826 /nfs/dbraw/zinc/19/08/26/1074190826.db2.gz GWICMKXTNKRSJF-MRXNPFEDSA-N 1 2 417.514 0.156 20 0 HCADLO CN1C[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1=O ZINC000606527031 1074192999 /nfs/dbraw/zinc/19/29/99/1074192999.db2.gz QVDFRMGEAOLCKU-CVEARBPZSA-N 1 2 417.514 0.202 20 0 HCADLO CN1C[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1=O ZINC000606527031 1074192985 /nfs/dbraw/zinc/19/29/85/1074192985.db2.gz QVDFRMGEAOLCKU-CVEARBPZSA-N 1 2 417.514 0.202 20 0 HCADLO CN1C[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1=O ZINC000606527032 1074192832 /nfs/dbraw/zinc/19/28/32/1074192832.db2.gz QVDFRMGEAOLCKU-HOTGVXAUSA-N 1 2 417.514 0.202 20 0 HCADLO CN1C[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1=O ZINC000606527032 1074192822 /nfs/dbraw/zinc/19/28/22/1074192822.db2.gz QVDFRMGEAOLCKU-HOTGVXAUSA-N 1 2 417.514 0.202 20 0 HCADLO CN1C[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1=O ZINC000606527033 1074193171 /nfs/dbraw/zinc/19/31/71/1074193171.db2.gz QVDFRMGEAOLCKU-HZPDHXFCSA-N 1 2 417.514 0.202 20 0 HCADLO CN1C[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1=O ZINC000606527033 1074193165 /nfs/dbraw/zinc/19/31/65/1074193165.db2.gz QVDFRMGEAOLCKU-HZPDHXFCSA-N 1 2 417.514 0.202 20 0 HCADLO CN1C[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1=O ZINC000606527034 1074193132 /nfs/dbraw/zinc/19/31/32/1074193132.db2.gz QVDFRMGEAOLCKU-JKSUJKDBSA-N 1 2 417.514 0.202 20 0 HCADLO CN1C[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1=O ZINC000606527034 1074193126 /nfs/dbraw/zinc/19/31/26/1074193126.db2.gz QVDFRMGEAOLCKU-JKSUJKDBSA-N 1 2 417.514 0.202 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000606533404 1074194059 /nfs/dbraw/zinc/19/40/59/1074194059.db2.gz ZTYAOXVGKCWBGY-UHFFFAOYSA-N 1 2 401.448 0.953 20 0 HCADLO O=C(CNC(=O)c1ccsc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606537677 1074196196 /nfs/dbraw/zinc/19/61/96/1074196196.db2.gz JCTDLHIHQJVMIL-UHFFFAOYSA-N 1 2 416.507 0.453 20 0 HCADLO O=C(CNC(=O)c1ccsc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606537677 1074196188 /nfs/dbraw/zinc/19/61/88/1074196188.db2.gz JCTDLHIHQJVMIL-UHFFFAOYSA-N 1 2 416.507 0.453 20 0 HCADLO Cc1ccccc1C(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606537871 1074196340 /nfs/dbraw/zinc/19/63/40/1074196340.db2.gz PHAFIIQHFZTPJV-UHFFFAOYSA-N 1 2 424.505 0.700 20 0 HCADLO Cc1ccccc1C(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606537871 1074196331 /nfs/dbraw/zinc/19/63/31/1074196331.db2.gz PHAFIIQHFZTPJV-UHFFFAOYSA-N 1 2 424.505 0.700 20 0 HCADLO Cc1noc(CN2CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)n1 ZINC000606539847 1074189295 /nfs/dbraw/zinc/18/92/95/1074189295.db2.gz TZGSXGBBVZGFIR-INIZCTEOSA-N 1 2 400.439 0.373 20 0 HCADLO Cc1noc(CN2CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)n1 ZINC000606539848 1074190366 /nfs/dbraw/zinc/19/03/66/1074190366.db2.gz TZGSXGBBVZGFIR-MRXNPFEDSA-N 1 2 400.439 0.373 20 0 HCADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000606540381 1074189601 /nfs/dbraw/zinc/18/96/01/1074189601.db2.gz LEAJSBMFEBBBFS-KRWDZBQOSA-N 1 2 418.513 0.748 20 0 HCADLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000606540381 1074189592 /nfs/dbraw/zinc/18/95/92/1074189592.db2.gz LEAJSBMFEBBBFS-KRWDZBQOSA-N 1 2 418.513 0.748 20 0 HCADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000606540382 1074189695 /nfs/dbraw/zinc/18/96/95/1074189695.db2.gz LEAJSBMFEBBBFS-QGZVFWFLSA-N 1 2 418.513 0.748 20 0 HCADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000606540382 1074189672 /nfs/dbraw/zinc/18/96/72/1074189672.db2.gz LEAJSBMFEBBBFS-QGZVFWFLSA-N 1 2 418.513 0.748 20 0 HCADLO C[C@H](C(=O)NCC(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606541161 1074191233 /nfs/dbraw/zinc/19/12/33/1074191233.db2.gz HDWNQGITCWOIHQ-CYBMUJFWSA-N 1 2 402.421 0.502 20 0 HCADLO C[C@@H](C(=O)NCC(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606541162 1074191186 /nfs/dbraw/zinc/19/11/86/1074191186.db2.gz HDWNQGITCWOIHQ-ZDUSSCGKSA-N 1 2 402.421 0.502 20 0 HCADLO Cc1cn2cc(NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)ccc2[nH+]1 ZINC000606570499 1074197876 /nfs/dbraw/zinc/19/78/76/1074197876.db2.gz ZPNUEWWWQGMHQL-UHFFFAOYSA-N 1 2 400.439 0.178 20 0 HCADLO O=C(Nc1nnc2ccccn21)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606572961 1074197950 /nfs/dbraw/zinc/19/79/50/1074197950.db2.gz DLAUZVHIVMPKQG-UHFFFAOYSA-N 1 2 409.454 0.710 20 0 HCADLO O=C(Nc1nnc2ccccn21)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606572961 1074197948 /nfs/dbraw/zinc/19/79/48/1074197948.db2.gz DLAUZVHIVMPKQG-UHFFFAOYSA-N 1 2 409.454 0.710 20 0 HCADLO CCc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n(C)n1 ZINC000606579109 1074200542 /nfs/dbraw/zinc/20/05/42/1074200542.db2.gz PAMBEQIBXYMTKK-UHFFFAOYSA-N 1 2 400.487 0.963 20 0 HCADLO CCc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n(C)n1 ZINC000606579109 1074200525 /nfs/dbraw/zinc/20/05/25/1074200525.db2.gz PAMBEQIBXYMTKK-UHFFFAOYSA-N 1 2 400.487 0.963 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)C[C@H](C)O1 ZINC000606583118 1074200610 /nfs/dbraw/zinc/20/06/10/1074200610.db2.gz PGZQJDOVYHVTGT-GASCZTMLSA-N 1 2 422.511 0.838 20 0 HCADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)C[C@H](C)O1 ZINC000606583119 1074200819 /nfs/dbraw/zinc/20/08/19/1074200819.db2.gz PGZQJDOVYHVTGT-GJZGRUSLSA-N 1 2 422.511 0.838 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)C[C@@H](C)O1 ZINC000606583120 1074200640 /nfs/dbraw/zinc/20/06/40/1074200640.db2.gz PGZQJDOVYHVTGT-HUUCEWRRSA-N 1 2 422.511 0.838 20 0 HCADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)o1 ZINC000606583363 1074200757 /nfs/dbraw/zinc/20/07/57/1074200757.db2.gz YKCVXUAGGGQOCS-UHFFFAOYSA-N 1 2 418.435 0.565 20 0 HCADLO O=C(NCCCN1CCCC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606618209 1074201280 /nfs/dbraw/zinc/20/12/80/1074201280.db2.gz MYATULVNEQBFLP-UHFFFAOYSA-N 1 2 417.514 0.157 20 0 HCADLO O=C(NCCCN1CCCC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606618209 1074201269 /nfs/dbraw/zinc/20/12/69/1074201269.db2.gz MYATULVNEQBFLP-UHFFFAOYSA-N 1 2 417.514 0.157 20 0 HCADLO Cc1n[nH]cc1CCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606618340 1074201597 /nfs/dbraw/zinc/20/15/97/1074201597.db2.gz UDMUAYHXRPQYIE-UHFFFAOYSA-N 1 2 414.514 0.809 20 0 HCADLO Cc1n[nH]cc1CCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606618340 1074201590 /nfs/dbraw/zinc/20/15/90/1074201590.db2.gz UDMUAYHXRPQYIE-UHFFFAOYSA-N 1 2 414.514 0.809 20 0 HCADLO O=C(NCc1cn2ccccc2n1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606623997 1074198651 /nfs/dbraw/zinc/19/86/51/1074198651.db2.gz OCNVYQHEDFSELW-UHFFFAOYSA-N 1 2 422.493 0.993 20 0 HCADLO O=C(NCc1cn2ccccc2n1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606623997 1074198637 /nfs/dbraw/zinc/19/86/37/1074198637.db2.gz OCNVYQHEDFSELW-UHFFFAOYSA-N 1 2 422.493 0.993 20 0 HCADLO COc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000606662303 1074202763 /nfs/dbraw/zinc/20/27/63/1074202763.db2.gz AHDUFUNKMWMMGT-UHFFFAOYSA-N 1 2 413.482 0.749 20 0 HCADLO COc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000606662303 1074202738 /nfs/dbraw/zinc/20/27/38/1074202738.db2.gz AHDUFUNKMWMMGT-UHFFFAOYSA-N 1 2 413.482 0.749 20 0 HCADLO Cc1noc([C@@H](C)NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000606665645 1074202895 /nfs/dbraw/zinc/20/28/95/1074202895.db2.gz JJBZCXIABYEZCY-CYBMUJFWSA-N 1 2 402.459 0.597 20 0 HCADLO Cc1noc([C@@H](C)NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000606665645 1074202883 /nfs/dbraw/zinc/20/28/83/1074202883.db2.gz JJBZCXIABYEZCY-CYBMUJFWSA-N 1 2 402.459 0.597 20 0 HCADLO Cc1noc([C@H](C)NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000606665646 1074202996 /nfs/dbraw/zinc/20/29/96/1074202996.db2.gz JJBZCXIABYEZCY-ZDUSSCGKSA-N 1 2 402.459 0.597 20 0 HCADLO Cc1noc([C@H](C)NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000606665646 1074202993 /nfs/dbraw/zinc/20/29/93/1074202993.db2.gz JJBZCXIABYEZCY-ZDUSSCGKSA-N 1 2 402.459 0.597 20 0 HCADLO O=C(NCc1nccn1C(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606666356 1074202834 /nfs/dbraw/zinc/20/28/34/1074202834.db2.gz PWQQEUCACBDVSP-UHFFFAOYSA-N 1 2 422.440 0.937 20 0 HCADLO O=C(NCc1nccn1C(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606666356 1074202821 /nfs/dbraw/zinc/20/28/21/1074202821.db2.gz PWQQEUCACBDVSP-UHFFFAOYSA-N 1 2 422.440 0.937 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCC3(O)CCC3)cc2)CC1 ZINC000606670272 1074203316 /nfs/dbraw/zinc/20/33/16/1074203316.db2.gz YZPPFKIJZGFPCR-UHFFFAOYSA-N 1 2 418.538 0.986 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@@H](C)CCO)cc2)CC1 ZINC000606670281 1074203460 /nfs/dbraw/zinc/20/34/60/1074203460.db2.gz ZMVATVXSSWPRPB-KRWDZBQOSA-N 1 2 406.527 0.842 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@H](C)CCO)cc2)CC1 ZINC000606670282 1074203343 /nfs/dbraw/zinc/20/33/43/1074203343.db2.gz ZMVATVXSSWPRPB-QGZVFWFLSA-N 1 2 406.527 0.842 20 0 HCADLO COCCOCCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606670532 1074203552 /nfs/dbraw/zinc/20/35/52/1074203552.db2.gz NADXKBGFLMGSPA-UHFFFAOYSA-N 1 2 408.503 0.198 20 0 HCADLO COCCOCCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606670532 1074203546 /nfs/dbraw/zinc/20/35/46/1074203546.db2.gz NADXKBGFLMGSPA-UHFFFAOYSA-N 1 2 408.503 0.198 20 0 HCADLO O=C(NCc1cccc(CO)c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606681674 1074207334 /nfs/dbraw/zinc/20/73/34/1074207334.db2.gz MFMCGUSZBKVWMI-UHFFFAOYSA-N 1 2 412.494 0.837 20 0 HCADLO O=C(NCc1cccc(CO)c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606681674 1074207325 /nfs/dbraw/zinc/20/73/25/1074207325.db2.gz MFMCGUSZBKVWMI-UHFFFAOYSA-N 1 2 412.494 0.837 20 0 HCADLO Cc1ccc([C@H](C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000606706762 1074206166 /nfs/dbraw/zinc/20/61/66/1074206166.db2.gz CLCYSHFFXPYCSK-GOSISDBHSA-N 1 2 423.583 0.918 20 0 HCADLO Cc1ccc([C@@H](C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000606706768 1074206180 /nfs/dbraw/zinc/20/61/80/1074206180.db2.gz CLCYSHFFXPYCSK-SFHVURJKSA-N 1 2 423.583 0.918 20 0 HCADLO CC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000606710420 1074206691 /nfs/dbraw/zinc/20/66/91/1074206691.db2.gz TZQDJYHSJKLWPN-AWEZNQCLSA-N 1 2 416.573 0.414 20 0 HCADLO CC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000606710436 1074206456 /nfs/dbraw/zinc/20/64/56/1074206456.db2.gz TZQDJYHSJKLWPN-CQSZACIVSA-N 1 2 416.573 0.414 20 0 HCADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000606717706 1074214021 /nfs/dbraw/zinc/21/40/21/1074214021.db2.gz NMRXIGHYWUEZQI-CYBMUJFWSA-N 1 2 423.495 0.676 20 0 HCADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000606717714 1074214486 /nfs/dbraw/zinc/21/44/86/1074214486.db2.gz NMRXIGHYWUEZQI-ZDUSSCGKSA-N 1 2 423.495 0.676 20 0 HCADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000606717769 1074215330 /nfs/dbraw/zinc/21/53/30/1074215330.db2.gz XKIHZEOFZKWGNU-UHFFFAOYSA-N 1 2 423.495 0.677 20 0 HCADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000606719731 1074215243 /nfs/dbraw/zinc/21/52/43/1074215243.db2.gz WQCBMFSRZPYOLC-UHFFFAOYSA-N 1 2 409.468 0.287 20 0 HCADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000606720026 1074215924 /nfs/dbraw/zinc/21/59/24/1074215924.db2.gz VNDJPBWKFFDAKI-UHFFFAOYSA-N 1 2 412.512 0.438 20 0 HCADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000606724713 1074216487 /nfs/dbraw/zinc/21/64/87/1074216487.db2.gz SKFFPVXPBXFWGR-UHFFFAOYSA-N 1 2 424.523 0.581 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)cc2)CC1 ZINC000606743885 1074212137 /nfs/dbraw/zinc/21/21/37/1074212137.db2.gz TXSXHXPWTVIOKZ-GOSISDBHSA-N 1 2 401.511 0.500 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)CC1 ZINC000606743886 1074212280 /nfs/dbraw/zinc/21/22/80/1074212280.db2.gz TXSXHXPWTVIOKZ-SFHVURJKSA-N 1 2 401.511 0.500 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000606744988 1074212816 /nfs/dbraw/zinc/21/28/16/1074212816.db2.gz IXKVCTVKHFDAOH-CABCVRRESA-N 1 2 415.494 0.173 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000606744989 1074212750 /nfs/dbraw/zinc/21/27/50/1074212750.db2.gz IXKVCTVKHFDAOH-GJZGRUSLSA-N 1 2 415.494 0.173 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000606744990 1074212768 /nfs/dbraw/zinc/21/27/68/1074212768.db2.gz IXKVCTVKHFDAOH-HUUCEWRRSA-N 1 2 415.494 0.173 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000606744991 1074212794 /nfs/dbraw/zinc/21/27/94/1074212794.db2.gz IXKVCTVKHFDAOH-LSDHHAIUSA-N 1 2 415.494 0.173 20 0 HCADLO C[C@H](CNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000606750058 1074223589 /nfs/dbraw/zinc/22/35/89/1074223589.db2.gz VTVWASYENJGLLM-GOSISDBHSA-N 1 2 418.538 0.584 20 0 HCADLO C[C@@H](CNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000606750060 1074223625 /nfs/dbraw/zinc/22/36/25/1074223625.db2.gz VTVWASYENJGLLM-SFHVURJKSA-N 1 2 418.538 0.584 20 0 HCADLO Cc1ccccc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606752587 1074225544 /nfs/dbraw/zinc/22/55/44/1074225544.db2.gz ABAOSNDYBXGEKW-UHFFFAOYSA-N 1 2 410.478 0.909 20 0 HCADLO Cc1ccccc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606752587 1074225537 /nfs/dbraw/zinc/22/55/37/1074225537.db2.gz ABAOSNDYBXGEKW-UHFFFAOYSA-N 1 2 410.478 0.909 20 0 HCADLO Cc1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000606753857 1074226669 /nfs/dbraw/zinc/22/66/69/1074226669.db2.gz OFVRHVULXJGIMH-UHFFFAOYSA-N 1 2 410.478 0.909 20 0 HCADLO Cc1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000606753857 1074226659 /nfs/dbraw/zinc/22/66/59/1074226659.db2.gz OFVRHVULXJGIMH-UHFFFAOYSA-N 1 2 410.478 0.909 20 0 HCADLO O=C(Nc1ccc(F)cc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606754041 1074226345 /nfs/dbraw/zinc/22/63/45/1074226345.db2.gz LVPJADAOPAWZEN-UHFFFAOYSA-N 1 2 414.441 0.740 20 0 HCADLO O=C(Nc1ccc(F)cc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606754041 1074226336 /nfs/dbraw/zinc/22/63/36/1074226336.db2.gz LVPJADAOPAWZEN-UHFFFAOYSA-N 1 2 414.441 0.740 20 0 HCADLO O=C(Nc1ccccc1F)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606754361 1074226576 /nfs/dbraw/zinc/22/65/76/1074226576.db2.gz UGKFIMKLEMEXIZ-UHFFFAOYSA-N 1 2 414.441 0.740 20 0 HCADLO O=C(Nc1ccccc1F)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606754361 1074226565 /nfs/dbraw/zinc/22/65/65/1074226565.db2.gz UGKFIMKLEMEXIZ-UHFFFAOYSA-N 1 2 414.441 0.740 20 0 HCADLO Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606754691 1074226313 /nfs/dbraw/zinc/22/63/13/1074226313.db2.gz ZTTDINROFOCCSD-UHFFFAOYSA-N 1 2 415.454 0.205 20 0 HCADLO Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606754691 1074226298 /nfs/dbraw/zinc/22/62/98/1074226298.db2.gz ZTTDINROFOCCSD-UHFFFAOYSA-N 1 2 415.454 0.205 20 0 HCADLO Cc1ccncc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606755161 1074226490 /nfs/dbraw/zinc/22/64/90/1074226490.db2.gz WXULDBGIPYQQOV-UHFFFAOYSA-N 1 2 411.466 0.304 20 0 HCADLO Cc1ccncc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606755161 1074226481 /nfs/dbraw/zinc/22/64/81/1074226481.db2.gz WXULDBGIPYQQOV-UHFFFAOYSA-N 1 2 411.466 0.304 20 0 HCADLO O=C(c1ccnc(-n2cccn2)c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606784112 1074228352 /nfs/dbraw/zinc/22/83/52/1074228352.db2.gz MKZJBCRSFAIXBG-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO O=C(c1ccnc(-n2cccn2)c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606784112 1074228317 /nfs/dbraw/zinc/22/83/17/1074228317.db2.gz MKZJBCRSFAIXBG-UHFFFAOYSA-N 1 2 420.477 0.856 20 0 HCADLO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000606791443 1074228979 /nfs/dbraw/zinc/22/89/79/1074228979.db2.gz IZERZNIFEADPQH-UHFFFAOYSA-N 1 2 410.482 0.799 20 0 HCADLO O=C(CCNC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000606841493 1074240299 /nfs/dbraw/zinc/24/02/99/1074240299.db2.gz WVTIVDNRYPEWJY-ALOPSCKCSA-N 1 2 400.479 0.478 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnc(N2CCCCC2)n1 ZINC000606844899 1074241304 /nfs/dbraw/zinc/24/13/04/1074241304.db2.gz IVULYPBDWPMGLE-INIZCTEOSA-N 1 2 402.499 0.130 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnc(N2CCCCC2)n1 ZINC000606844901 1074241167 /nfs/dbraw/zinc/24/11/67/1074241167.db2.gz IVULYPBDWPMGLE-MRXNPFEDSA-N 1 2 402.499 0.130 20 0 HCADLO CN(C)C(=O)Nc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000606845282 1074241286 /nfs/dbraw/zinc/24/12/86/1074241286.db2.gz XZQYAKANLOCTDS-KRWDZBQOSA-N 1 2 403.483 0.443 20 0 HCADLO CN(C)C(=O)Nc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000606845286 1074241189 /nfs/dbraw/zinc/24/11/89/1074241189.db2.gz XZQYAKANLOCTDS-QGZVFWFLSA-N 1 2 403.483 0.443 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000606900343 1074247855 /nfs/dbraw/zinc/24/78/55/1074247855.db2.gz KCKXFVAMHGTWLT-CYBMUJFWSA-N 1 2 413.404 0.275 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000606900344 1074247882 /nfs/dbraw/zinc/24/78/82/1074247882.db2.gz KCKXFVAMHGTWLT-ZDUSSCGKSA-N 1 2 413.404 0.275 20 0 HCADLO O=C(CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1)N1CCN(c2ncccn2)CC1 ZINC000606903437 1074248642 /nfs/dbraw/zinc/24/86/42/1074248642.db2.gz RDBUSKPVZRTWBZ-UHFFFAOYSA-N 1 2 410.404 0.641 20 0 HCADLO O=C(CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1)N1CCN(c2ncccn2)CC1 ZINC000606903437 1074248636 /nfs/dbraw/zinc/24/86/36/1074248636.db2.gz RDBUSKPVZRTWBZ-UHFFFAOYSA-N 1 2 410.404 0.641 20 0 HCADLO CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000606949195 1074250381 /nfs/dbraw/zinc/25/03/81/1074250381.db2.gz ZWIIJHZIYVAFIV-UHFFFAOYSA-N 1 2 422.511 0.918 20 0 HCADLO COc1ccc(NC(=O)N(C)CC[NH+]2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000606956608 1074250727 /nfs/dbraw/zinc/25/07/27/1074250727.db2.gz YOBWYZKHOIRPKH-UHFFFAOYSA-N 1 2 412.512 0.932 20 0 HCADLO CCc1cc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000606961500 1074251474 /nfs/dbraw/zinc/25/14/74/1074251474.db2.gz QSWMNDWLOJBDOH-UHFFFAOYSA-N 1 2 408.484 0.906 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@H](CO)C3)cc2)CC1 ZINC000606977745 1074259447 /nfs/dbraw/zinc/25/94/47/1074259447.db2.gz SNXXCZKEPRGURR-FQEVSTJZSA-N 1 2 418.538 0.796 20 0 HCADLO COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000606991601 1074260518 /nfs/dbraw/zinc/26/05/18/1074260518.db2.gz PKJVBMQKZDOCKS-UHFFFAOYSA-N 1 2 412.512 0.485 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000606994435 1074252514 /nfs/dbraw/zinc/25/25/14/1074252514.db2.gz SOOHKDJNWQUOMT-UHFFFAOYSA-N 1 2 422.507 0.381 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[NH+]1CCOCC1 ZINC000606994840 1074251827 /nfs/dbraw/zinc/25/18/27/1074251827.db2.gz NDQYQCIDUQDGCY-QGZVFWFLSA-N 1 2 404.511 0.861 20 0 HCADLO CC(C)CCn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1 ZINC000607026063 1074263406 /nfs/dbraw/zinc/26/34/06/1074263406.db2.gz WJCLFKIAOKLOPL-UHFFFAOYSA-N 1 2 414.514 0.913 20 0 HCADLO CC(C)CCn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1 ZINC000607026063 1074263402 /nfs/dbraw/zinc/26/34/02/1074263402.db2.gz WJCLFKIAOKLOPL-UHFFFAOYSA-N 1 2 414.514 0.913 20 0 HCADLO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)Cn1cc[nH+]c1 ZINC000607039796 1074265501 /nfs/dbraw/zinc/26/55/01/1074265501.db2.gz LDWFZWIKLQXQBW-AWEZNQCLSA-N 1 2 405.480 0.070 20 0 HCADLO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)Cn1cc[nH+]c1 ZINC000607039801 1074265579 /nfs/dbraw/zinc/26/55/79/1074265579.db2.gz LDWFZWIKLQXQBW-CQSZACIVSA-N 1 2 405.480 0.070 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000607039986 1074265559 /nfs/dbraw/zinc/26/55/59/1074265559.db2.gz AKFFNNQHKNVSSA-HNNXBMFYSA-N 1 2 409.512 0.528 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000607040011 1074265328 /nfs/dbraw/zinc/26/53/28/1074265328.db2.gz AKFFNNQHKNVSSA-OAHLLOKOSA-N 1 2 409.512 0.528 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000607040451 1074265389 /nfs/dbraw/zinc/26/53/89/1074265389.db2.gz HNIRSEQACWQNMP-KBPBESRZSA-N 1 2 407.496 0.961 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000607040452 1074265472 /nfs/dbraw/zinc/26/54/72/1074265472.db2.gz HNIRSEQACWQNMP-KGLIPLIRSA-N 1 2 407.496 0.961 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000607040773 1074265450 /nfs/dbraw/zinc/26/54/50/1074265450.db2.gz BYYAHLYMYNPOTN-GOSISDBHSA-N 1 2 419.551 0.950 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000607040774 1074265299 /nfs/dbraw/zinc/26/52/99/1074265299.db2.gz BYYAHLYMYNPOTN-SFHVURJKSA-N 1 2 419.551 0.950 20 0 HCADLO O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042436 1074266509 /nfs/dbraw/zinc/26/65/09/1074266509.db2.gz DPSIYNVDIWBVTF-HNNXBMFYSA-N 1 2 424.552 0.337 20 0 HCADLO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042437 1074266659 /nfs/dbraw/zinc/26/66/59/1074266659.db2.gz DPSIYNVDIWBVTF-OAHLLOKOSA-N 1 2 424.552 0.337 20 0 HCADLO O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042506 1074266673 /nfs/dbraw/zinc/26/66/73/1074266673.db2.gz INTINLHAMXLKAI-AWEZNQCLSA-N 1 2 404.421 0.754 20 0 HCADLO O=C([C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042508 1074266650 /nfs/dbraw/zinc/26/66/50/1074266650.db2.gz INTINLHAMXLKAI-CQSZACIVSA-N 1 2 404.421 0.754 20 0 HCADLO O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042532 1074266539 /nfs/dbraw/zinc/26/65/39/1074266539.db2.gz JFHROZCLOQKYLB-UHFFFAOYSA-N 1 2 404.496 0.276 20 0 HCADLO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607042536 1074266526 /nfs/dbraw/zinc/26/65/26/1074266526.db2.gz AWQDVMBHEVPTJJ-UHFFFAOYSA-N 1 2 420.539 0.813 20 0 HCADLO CC(C)[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)c2ccccc2C1=O ZINC000607042561 1074266628 /nfs/dbraw/zinc/26/66/28/1074266628.db2.gz DLJQFPXKEZAQJG-GOSISDBHSA-N 1 2 410.478 0.743 20 0 HCADLO CC(C)[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)c2ccccc2C1=O ZINC000607042562 1074266693 /nfs/dbraw/zinc/26/66/93/1074266693.db2.gz DLJQFPXKEZAQJG-SFHVURJKSA-N 1 2 410.478 0.743 20 0 HCADLO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042568 1074266714 /nfs/dbraw/zinc/26/67/14/1074266714.db2.gz FEJXGYLSUFGFTC-IBGZPJMESA-N 1 2 413.526 0.946 20 0 HCADLO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042569 1074266602 /nfs/dbraw/zinc/26/66/02/1074266602.db2.gz FEJXGYLSUFGFTC-LJQANCHMSA-N 1 2 413.526 0.946 20 0 HCADLO O=C(CCC(=O)N1CC(=O)Nc2ccccc21)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042626 1074265990 /nfs/dbraw/zinc/26/59/90/1074265990.db2.gz LTPLSZLPERZJKK-UHFFFAOYSA-N 1 2 411.466 0.188 20 0 HCADLO COc1ccc(CN2C[C@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC2=O)cc1 ZINC000607042636 1074265911 /nfs/dbraw/zinc/26/59/11/1074265911.db2.gz JZURWKMXTDCTKV-GOSISDBHSA-N 1 2 412.494 0.480 20 0 HCADLO COc1ccc(CN2C[C@@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC2=O)cc1 ZINC000607042637 1074266046 /nfs/dbraw/zinc/26/60/46/1074266046.db2.gz JZURWKMXTDCTKV-SFHVURJKSA-N 1 2 412.494 0.480 20 0 HCADLO CCCCS(=O)(=O)N1CCC(C(=O)N2CC[NH+](CCn3cncn3)CC2)CC1 ZINC000607042644 1074266147 /nfs/dbraw/zinc/26/61/47/1074266147.db2.gz KYHVOAWVBSWGGE-UHFFFAOYSA-N 1 2 412.560 0.264 20 0 HCADLO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042658 1074265890 /nfs/dbraw/zinc/26/58/90/1074265890.db2.gz MIHZVPWYOJBSLM-GOSISDBHSA-N 1 2 413.461 0.340 20 0 HCADLO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042659 1074266069 /nfs/dbraw/zinc/26/60/69/1074266069.db2.gz MIHZVPWYOJBSLM-SFHVURJKSA-N 1 2 413.461 0.340 20 0 HCADLO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607042697 1074266609 /nfs/dbraw/zinc/26/66/09/1074266609.db2.gz PLEHUKDCEUPUBQ-INIZCTEOSA-N 1 2 420.539 0.813 20 0 HCADLO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607042698 1074266638 /nfs/dbraw/zinc/26/66/38/1074266638.db2.gz PLEHUKDCEUPUBQ-MRXNPFEDSA-N 1 2 420.539 0.813 20 0 HCADLO O=C(CCC(=O)N1CCc2sccc2C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607042787 1074265948 /nfs/dbraw/zinc/26/59/48/1074265948.db2.gz MQVMZGHQCFHSOJ-UHFFFAOYSA-N 1 2 402.524 0.849 20 0 HCADLO C[C@H]1Cc2cc(C(=O)N3CC[NH+](CCn4cncn4)CC3)ccc2N1S(C)(=O)=O ZINC000607042832 1074266097 /nfs/dbraw/zinc/26/60/97/1074266097.db2.gz OGNWSHDMJQHHHN-HNNXBMFYSA-N 1 2 418.523 0.447 20 0 HCADLO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](CCn4cncn4)CC3)ccc2N1S(C)(=O)=O ZINC000607042837 1074266007 /nfs/dbraw/zinc/26/60/07/1074266007.db2.gz OGNWSHDMJQHHHN-OAHLLOKOSA-N 1 2 418.523 0.447 20 0 HCADLO CCOc1ccccc1N1C[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)CC1=O ZINC000607043178 1074267215 /nfs/dbraw/zinc/26/72/15/1074267215.db2.gz WRHPFENMGSIWGW-KRWDZBQOSA-N 1 2 412.494 0.874 20 0 HCADLO CCOc1ccccc1N1C[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)CC1=O ZINC000607043181 1074267099 /nfs/dbraw/zinc/26/70/99/1074267099.db2.gz WRHPFENMGSIWGW-QGZVFWFLSA-N 1 2 412.494 0.874 20 0 HCADLO O=C(c1ccccc1)N1CSC[C@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607043230 1074267074 /nfs/dbraw/zinc/26/70/74/1074267074.db2.gz ZTGKNRUJTMLTDC-KRWDZBQOSA-N 1 2 400.508 0.638 20 0 HCADLO O=C(c1ccccc1)N1CSC[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607043231 1074267261 /nfs/dbraw/zinc/26/72/61/1074267261.db2.gz ZTGKNRUJTMLTDC-QGZVFWFLSA-N 1 2 400.508 0.638 20 0 HCADLO CCCS(=O)(=O)Nc1cccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000607043321 1074267310 /nfs/dbraw/zinc/26/73/10/1074267310.db2.gz APWPKXBHBVALCX-UHFFFAOYSA-N 1 2 406.512 0.888 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607043388 1074267129 /nfs/dbraw/zinc/26/71/29/1074267129.db2.gz GCNRAVDFFOAOHF-INIZCTEOSA-N 1 2 406.512 0.098 20 0 HCADLO O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607043546 1074267054 /nfs/dbraw/zinc/26/70/54/1074267054.db2.gz LKYXRFNMCISCMT-HNNXBMFYSA-N 1 2 404.421 0.754 20 0 HCADLO O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607043547 1074267243 /nfs/dbraw/zinc/26/72/43/1074267243.db2.gz LKYXRFNMCISCMT-OAHLLOKOSA-N 1 2 404.421 0.754 20 0 HCADLO Cc1sc2ncn(CC(=O)N3CC[NH+](CCn4cncn4)CC3)c(=O)c2c1C ZINC000607043711 1074267289 /nfs/dbraw/zinc/26/72/89/1074267289.db2.gz WAQFQOGWRTUOOE-UHFFFAOYSA-N 1 2 401.496 0.511 20 0 HCADLO CC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)C(N)=O ZINC000607044522 1074267749 /nfs/dbraw/zinc/26/77/49/1074267749.db2.gz ZFYBTSMJKPKVCX-HNNXBMFYSA-N 1 2 400.401 0.730 20 0 HCADLO CS(=O)(=O)c1ccc(OCCCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607044711 1074267921 /nfs/dbraw/zinc/26/79/21/1074267921.db2.gz AXSMRJMCRNWKIB-UHFFFAOYSA-N 1 2 421.523 0.685 20 0 HCADLO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607044727 1074267823 /nfs/dbraw/zinc/26/78/23/1074267823.db2.gz CCWMPTDOAPFKNO-UHFFFAOYSA-N 1 2 423.525 0.874 20 0 HCADLO O=C(CCNC(=O)N1CCc2ccccc2C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607044764 1074267655 /nfs/dbraw/zinc/26/76/55/1074267655.db2.gz KDFHOSZADSUAIZ-UHFFFAOYSA-N 1 2 411.510 0.580 20 0 HCADLO O=C(CNC(=O)c1cc(-c2ccccc2)on1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607044804 1074267277 /nfs/dbraw/zinc/26/72/77/1074267277.db2.gz RBGYRINOGXDKPN-UHFFFAOYSA-N 1 2 409.450 0.507 20 0 HCADLO O=C(NCC(=O)N1CC[NH+](CCn2cncn2)CC1)NCc1ccc(Cl)cc1 ZINC000607044810 1074267348 /nfs/dbraw/zinc/26/73/48/1074267348.db2.gz SSMBCSDBZZVXKU-UHFFFAOYSA-N 1 2 405.890 0.575 20 0 HCADLO O=C(Cc1csc(NC(=O)c2ccco2)n1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607044829 1074267722 /nfs/dbraw/zinc/26/77/22/1074267722.db2.gz VWSNSGFMQMRZNR-UHFFFAOYSA-N 1 2 415.479 0.967 20 0 HCADLO O=C(CN1CCN(c2ccccn2)CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000607045791 1074267955 /nfs/dbraw/zinc/26/79/55/1074267955.db2.gz IXWNZRDHLNBYGW-FQEVSTJZSA-N 1 2 405.568 0.528 20 0 HCADLO O=C(CN1CCN(c2ccccn2)CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000607045792 1074267849 /nfs/dbraw/zinc/26/78/49/1074267849.db2.gz IXWNZRDHLNBYGW-HXUWFJFHSA-N 1 2 405.568 0.528 20 0 HCADLO Cc1cc(N2CCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)CC2)n2ncnc2n1 ZINC000607048080 1074269043 /nfs/dbraw/zinc/26/90/43/1074269043.db2.gz IILPPSKKDDBZKK-UHFFFAOYSA-N 1 2 421.509 0.299 20 0 HCADLO NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000607048649 1074268978 /nfs/dbraw/zinc/26/89/78/1074268978.db2.gz ZDOWXOCSYPXKSP-UHFFFAOYSA-N 1 2 410.474 0.664 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCSCC1)c1ccccc1C[NH+]1CCOCC1 ZINC000607049524 1074268954 /nfs/dbraw/zinc/26/89/54/1074268954.db2.gz BBTORLYLNXBECJ-UHFFFAOYSA-N 1 2 413.565 0.627 20 0 HCADLO CC(=O)N1CCN(C(=O)CCNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000607050637 1074261902 /nfs/dbraw/zinc/26/19/02/1074261902.db2.gz UTJPNECNUWOCJL-UHFFFAOYSA-N 1 2 402.495 0.329 20 0 HCADLO Cc1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc(S(N)(=O)=O)c1C ZINC000607051188 1074262387 /nfs/dbraw/zinc/26/23/87/1074262387.db2.gz QOTMUNDJCFEUSV-UHFFFAOYSA-N 1 2 407.496 0.732 20 0 HCADLO CS(=O)(=O)Nc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1Cl ZINC000607052226 1074262621 /nfs/dbraw/zinc/26/26/21/1074262621.db2.gz AOLBDQDCHVMHKX-UHFFFAOYSA-N 1 2 412.903 0.761 20 0 HCADLO O=C(Cc1cccc2ccccc21)NCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607052291 1074262306 /nfs/dbraw/zinc/26/23/06/1074262306.db2.gz GAYVRBBWXCEJLC-UHFFFAOYSA-N 1 2 406.490 0.934 20 0 HCADLO O=C(CNC(=O)c1cccc(Br)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607052394 1074262571 /nfs/dbraw/zinc/26/25/71/1074262571.db2.gz NNHJDTDHKLKPJP-UHFFFAOYSA-N 1 2 421.299 0.615 20 0 HCADLO CCCS(=O)(=O)NC1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000607054425 1074262958 /nfs/dbraw/zinc/26/29/58/1074262958.db2.gz GDTVPIIXDXFBDT-UHFFFAOYSA-N 1 2 409.556 0.524 20 0 HCADLO CCN(C(=O)CNC(=O)CNC(C)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000607112666 1074273193 /nfs/dbraw/zinc/27/31/93/1074273193.db2.gz FBCRWXFTSHNYCL-UHFFFAOYSA-N 1 2 418.542 0.978 20 0 HCADLO O=C(NCc1nc(C(F)(F)F)cs1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607118513 1074274043 /nfs/dbraw/zinc/27/40/43/1074274043.db2.gz MRJSZSRCQDNIOX-LLVKDONJSA-N 1 2 406.430 0.959 20 0 HCADLO O=C(NCc1nc(C(F)(F)F)cs1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607118514 1074274815 /nfs/dbraw/zinc/27/48/15/1074274815.db2.gz MRJSZSRCQDNIOX-NSHDSACASA-N 1 2 406.430 0.959 20 0 HCADLO Cc1nc2ncnn2c(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000607143173 1074277305 /nfs/dbraw/zinc/27/73/05/1074277305.db2.gz NMRMEUOCEAUKLE-UHFFFAOYSA-N 1 2 416.511 0.700 20 0 HCADLO O=S(=O)(N1CCOCC1)N1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000607150724 1074277883 /nfs/dbraw/zinc/27/78/83/1074277883.db2.gz XJVCKIGEADUTQX-UHFFFAOYSA-N 1 2 407.496 0.474 20 0 HCADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000607152788 1074277852 /nfs/dbraw/zinc/27/78/52/1074277852.db2.gz SCBCHTBZCOYCRA-UHFFFAOYSA-N 1 2 420.539 0.389 20 0 HCADLO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000607156202 1074285531 /nfs/dbraw/zinc/28/55/31/1074285531.db2.gz ACOHMBHIWLIRBQ-BRWVUGGUSA-N 1 2 401.573 0.453 20 0 HCADLO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000607156202 1074285521 /nfs/dbraw/zinc/28/55/21/1074285521.db2.gz ACOHMBHIWLIRBQ-BRWVUGGUSA-N 1 2 401.573 0.453 20 0 HCADLO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000607156203 1074285325 /nfs/dbraw/zinc/28/53/25/1074285325.db2.gz ACOHMBHIWLIRBQ-GVDBMIGSSA-N 1 2 401.573 0.453 20 0 HCADLO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000607156203 1074285317 /nfs/dbraw/zinc/28/53/17/1074285317.db2.gz ACOHMBHIWLIRBQ-GVDBMIGSSA-N 1 2 401.573 0.453 20 0 HCADLO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000607156204 1074285369 /nfs/dbraw/zinc/28/53/69/1074285369.db2.gz ACOHMBHIWLIRBQ-IXDOHACOSA-N 1 2 401.573 0.453 20 0 HCADLO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000607156204 1074285363 /nfs/dbraw/zinc/28/53/63/1074285363.db2.gz ACOHMBHIWLIRBQ-IXDOHACOSA-N 1 2 401.573 0.453 20 0 HCADLO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000607156205 1074285455 /nfs/dbraw/zinc/28/54/55/1074285455.db2.gz ACOHMBHIWLIRBQ-YESZJQIVSA-N 1 2 401.573 0.453 20 0 HCADLO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1(C)C ZINC000607156205 1074285451 /nfs/dbraw/zinc/28/54/51/1074285451.db2.gz ACOHMBHIWLIRBQ-YESZJQIVSA-N 1 2 401.573 0.453 20 0 HCADLO Cc1cc(N2CCN(C(=O)CN(C)C[C@@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000607158323 1074280026 /nfs/dbraw/zinc/28/00/26/1074280026.db2.gz UCCJNRKZKDGYSV-KRWDZBQOSA-N 1 2 423.583 0.924 20 0 HCADLO Cc1cc(N2CCN(C(=O)CN(C)C[C@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000607158324 1074280008 /nfs/dbraw/zinc/28/00/08/1074280008.db2.gz UCCJNRKZKDGYSV-QGZVFWFLSA-N 1 2 423.583 0.924 20 0 HCADLO CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)CCCS(C)(=O)=O ZINC000607158641 1074279638 /nfs/dbraw/zinc/27/96/38/1074279638.db2.gz AWTGJSPGHXBYOC-UHFFFAOYSA-N 1 2 403.570 0.785 20 0 HCADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)CCCS(C)(=O)=O)CC2)oc1C ZINC000607160126 1074279898 /nfs/dbraw/zinc/27/98/98/1074279898.db2.gz GYARBJCDDWEQEK-UHFFFAOYSA-N 1 2 407.558 0.858 20 0 HCADLO CCc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000607186568 1074283175 /nfs/dbraw/zinc/28/31/75/1074283175.db2.gz LPWWXGWENRQIOK-UHFFFAOYSA-N 1 2 409.556 0.568 20 0 HCADLO CC[C@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000607188478 1074283873 /nfs/dbraw/zinc/28/38/73/1074283873.db2.gz UFWKXKIUQADHQE-DLBZAZTESA-N 1 2 401.577 0.775 20 0 HCADLO CC[C@@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000607188484 1074283754 /nfs/dbraw/zinc/28/37/54/1074283754.db2.gz UFWKXKIUQADHQE-IAGOWNOFSA-N 1 2 401.577 0.775 20 0 HCADLO CC[C@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000607188486 1074283800 /nfs/dbraw/zinc/28/38/00/1074283800.db2.gz UFWKXKIUQADHQE-IRXDYDNUSA-N 1 2 401.577 0.775 20 0 HCADLO CC[C@@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000607188489 1074283730 /nfs/dbraw/zinc/28/37/30/1074283730.db2.gz UFWKXKIUQADHQE-SJORKVTESA-N 1 2 401.577 0.775 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1 ZINC000607189330 1074284131 /nfs/dbraw/zinc/28/41/31/1074284131.db2.gz XGSMYPUZTWGXRQ-CRAIPNDOSA-N 1 2 420.477 0.627 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1 ZINC000607189331 1074284291 /nfs/dbraw/zinc/28/42/91/1074284291.db2.gz XGSMYPUZTWGXRQ-MAUKXSAKSA-N 1 2 420.477 0.627 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1 ZINC000607189332 1074284457 /nfs/dbraw/zinc/28/44/57/1074284457.db2.gz XGSMYPUZTWGXRQ-QAPCUYQASA-N 1 2 420.477 0.627 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1 ZINC000607189333 1074283648 /nfs/dbraw/zinc/28/36/48/1074283648.db2.gz XGSMYPUZTWGXRQ-YJBOKZPZSA-N 1 2 420.477 0.627 20 0 HCADLO COc1cc(C(=O)NCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)ccc1OC(F)F ZINC000607190394 1074284244 /nfs/dbraw/zinc/28/42/44/1074284244.db2.gz KNESCUDHQBYOLQ-CYBMUJFWSA-N 1 2 414.453 0.779 20 0 HCADLO COc1cc(C(=O)NCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)ccc1OC(F)F ZINC000607190395 1074284421 /nfs/dbraw/zinc/28/44/21/1074284421.db2.gz KNESCUDHQBYOLQ-ZDUSSCGKSA-N 1 2 414.453 0.779 20 0 HCADLO C[C@@H](CNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1)[NH+]1CCN(C)CC1 ZINC000607190602 1074284210 /nfs/dbraw/zinc/28/42/10/1074284210.db2.gz ZTWHPIKELVWKFG-HNNXBMFYSA-N 1 2 400.520 0.636 20 0 HCADLO C[C@H](CNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1)[NH+]1CCN(C)CC1 ZINC000607190603 1074284392 /nfs/dbraw/zinc/28/43/92/1074284392.db2.gz ZTWHPIKELVWKFG-OAHLLOKOSA-N 1 2 400.520 0.636 20 0 HCADLO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000607197506 1074288611 /nfs/dbraw/zinc/28/86/11/1074288611.db2.gz RDIKURNKNPVAIK-HNNXBMFYSA-N 1 2 408.524 0.973 20 0 HCADLO CN(C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000607197507 1074288747 /nfs/dbraw/zinc/28/87/47/1074288747.db2.gz RDIKURNKNPVAIK-OAHLLOKOSA-N 1 2 408.524 0.973 20 0 HCADLO Cc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1S(N)(=O)=O ZINC000607211398 1074286442 /nfs/dbraw/zinc/28/64/42/1074286442.db2.gz HXSGOZFMZSITJJ-UHFFFAOYSA-N 1 2 408.484 0.815 20 0 HCADLO C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](C)O ZINC000607232048 1074288257 /nfs/dbraw/zinc/28/82/57/1074288257.db2.gz SIOQQNSFYFREGM-CVEARBPZSA-N 1 2 413.544 0.240 20 0 HCADLO C[C@H](O)C[C@H](C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000607232049 1074288009 /nfs/dbraw/zinc/28/80/09/1074288009.db2.gz SIOQQNSFYFREGM-HOTGVXAUSA-N 1 2 413.544 0.240 20 0 HCADLO C[C@@H](O)C[C@@H](C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000607232050 1074287941 /nfs/dbraw/zinc/28/79/41/1074287941.db2.gz SIOQQNSFYFREGM-HZPDHXFCSA-N 1 2 413.544 0.240 20 0 HCADLO C[C@@H](O)C[C@H](C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000607232051 1074288274 /nfs/dbraw/zinc/28/82/74/1074288274.db2.gz SIOQQNSFYFREGM-JKSUJKDBSA-N 1 2 413.544 0.240 20 0 HCADLO C[C@@H](CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C[C@H](C)O ZINC000607244065 1074290244 /nfs/dbraw/zinc/29/02/44/1074290244.db2.gz CVVWNUHVLHWKQO-IKGGRYGDSA-N 1 2 406.531 0.988 20 0 HCADLO C[C@@H](CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C[C@H](C)O ZINC000607244065 1074290237 /nfs/dbraw/zinc/29/02/37/1074290237.db2.gz CVVWNUHVLHWKQO-IKGGRYGDSA-N 1 2 406.531 0.988 20 0 HCADLO C[C@@H](CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C[C@H](C)O ZINC000607244066 1074290316 /nfs/dbraw/zinc/29/03/16/1074290316.db2.gz CVVWNUHVLHWKQO-IXDOHACOSA-N 1 2 406.531 0.988 20 0 HCADLO C[C@@H](CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C[C@H](C)O ZINC000607244066 1074290308 /nfs/dbraw/zinc/29/03/08/1074290308.db2.gz CVVWNUHVLHWKQO-IXDOHACOSA-N 1 2 406.531 0.988 20 0 HCADLO C[C@H](O)C[C@H](C)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000607244067 1074290517 /nfs/dbraw/zinc/29/05/17/1074290517.db2.gz CVVWNUHVLHWKQO-ULQDDVLXSA-N 1 2 406.531 0.988 20 0 HCADLO C[C@H](O)C[C@H](C)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000607244067 1074290507 /nfs/dbraw/zinc/29/05/07/1074290507.db2.gz CVVWNUHVLHWKQO-ULQDDVLXSA-N 1 2 406.531 0.988 20 0 HCADLO C[C@H](O)C[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000607244068 1074290188 /nfs/dbraw/zinc/29/01/88/1074290188.db2.gz CVVWNUHVLHWKQO-YESZJQIVSA-N 1 2 406.531 0.988 20 0 HCADLO C[C@H](O)C[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000607244068 1074290178 /nfs/dbraw/zinc/29/01/78/1074290178.db2.gz CVVWNUHVLHWKQO-YESZJQIVSA-N 1 2 406.531 0.988 20 0 HCADLO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000607245345 1074290487 /nfs/dbraw/zinc/29/04/87/1074290487.db2.gz QWOOGSCDFAZBBK-BRWVUGGUSA-N 1 2 402.561 0.048 20 0 HCADLO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000607245346 1074290427 /nfs/dbraw/zinc/29/04/27/1074290427.db2.gz QWOOGSCDFAZBBK-GVDBMIGSSA-N 1 2 402.561 0.048 20 0 HCADLO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000607245347 1074290226 /nfs/dbraw/zinc/29/02/26/1074290226.db2.gz QWOOGSCDFAZBBK-IXDOHACOSA-N 1 2 402.561 0.048 20 0 HCADLO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000607245348 1074290559 /nfs/dbraw/zinc/29/05/59/1074290559.db2.gz QWOOGSCDFAZBBK-YESZJQIVSA-N 1 2 402.561 0.048 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1S(=O)(=O)NC1CC1 ZINC000607255918 1074291903 /nfs/dbraw/zinc/29/19/03/1074291903.db2.gz RNVZUCRWDVKPJY-UHFFFAOYSA-N 1 2 405.480 0.777 20 0 HCADLO Cc1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)cc1S(=O)(=O)NC1CC1 ZINC000607256354 1074292957 /nfs/dbraw/zinc/29/29/57/1074292957.db2.gz IIGNVKPASBULSN-UHFFFAOYSA-N 1 2 417.491 0.998 20 0 HCADLO CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000607256469 1074292995 /nfs/dbraw/zinc/29/29/95/1074292995.db2.gz DIAJKTQLVWTZHR-UHFFFAOYSA-N 1 2 423.495 0.676 20 0 HCADLO CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NCCn2cc[nH+]c2)ccc1F ZINC000607256520 1074293084 /nfs/dbraw/zinc/29/30/84/1074293084.db2.gz INYMEMFKHMSCCM-UHFFFAOYSA-N 1 2 411.459 0.854 20 0 HCADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000607257128 1074292515 /nfs/dbraw/zinc/29/25/15/1074292515.db2.gz SRUXMHQSDNOJRG-UHFFFAOYSA-N 1 2 421.454 0.828 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000607258460 1074294743 /nfs/dbraw/zinc/29/47/43/1074294743.db2.gz SYOYDCYMAHQHIB-LLVKDONJSA-N 1 2 409.443 0.606 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000607258461 1074294547 /nfs/dbraw/zinc/29/45/47/1074294547.db2.gz SYOYDCYMAHQHIB-NSHDSACASA-N 1 2 409.443 0.606 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCOC[C@@H]3CCOC3)c2)CC1 ZINC000607269716 1074301280 /nfs/dbraw/zinc/30/12/80/1074301280.db2.gz RKTQXTPAUMCEDK-IBGZPJMESA-N 1 2 418.538 0.932 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCOC[C@H]3CCOC3)c2)CC1 ZINC000607269717 1074301138 /nfs/dbraw/zinc/30/11/38/1074301138.db2.gz RKTQXTPAUMCEDK-LJQANCHMSA-N 1 2 418.538 0.932 20 0 HCADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000607281361 1074304510 /nfs/dbraw/zinc/30/45/10/1074304510.db2.gz WISJXWAUTDGULQ-UHFFFAOYSA-N 1 2 406.508 0.897 20 0 HCADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000607281919 1074304134 /nfs/dbraw/zinc/30/41/34/1074304134.db2.gz ARGDCSZZRUMIKR-UHFFFAOYSA-N 1 2 420.491 0.310 20 0 HCADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000607281934 1074304006 /nfs/dbraw/zinc/30/40/06/1074304006.db2.gz DCOMNPMYAYBKDB-UHFFFAOYSA-N 1 2 412.537 0.959 20 0 HCADLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)c1 ZINC000607282028 1074304535 /nfs/dbraw/zinc/30/45/35/1074304535.db2.gz RMTFCFVLVXCUIL-UHFFFAOYSA-N 1 2 420.491 0.310 20 0 HCADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000607282098 1074303946 /nfs/dbraw/zinc/30/39/46/1074303946.db2.gz DIXZOUJOUINHHE-UHFFFAOYSA-N 1 2 420.491 0.044 20 0 HCADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000607283090 1074305204 /nfs/dbraw/zinc/30/52/04/1074305204.db2.gz IBIDUVVOXGXJJB-UHFFFAOYSA-N 1 2 417.447 0.218 20 0 HCADLO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000607283874 1074306252 /nfs/dbraw/zinc/30/62/52/1074306252.db2.gz CLTGDEOZHSATFB-KRWDZBQOSA-N 1 2 416.569 0.639 20 0 HCADLO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000607283879 1074306543 /nfs/dbraw/zinc/30/65/43/1074306543.db2.gz CLTGDEOZHSATFB-QGZVFWFLSA-N 1 2 416.569 0.639 20 0 HCADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000607283916 1074306660 /nfs/dbraw/zinc/30/66/60/1074306660.db2.gz HHNCOJKGLGDBAP-DYESRHJHSA-N 1 2 417.531 0.830 20 0 HCADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000607283917 1074306574 /nfs/dbraw/zinc/30/65/74/1074306574.db2.gz HHNCOJKGLGDBAP-LAUBAEHRSA-N 1 2 417.531 0.830 20 0 HCADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000607283918 1074306778 /nfs/dbraw/zinc/30/67/78/1074306778.db2.gz HHNCOJKGLGDBAP-UTKZUKDTSA-N 1 2 417.531 0.830 20 0 HCADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000607283919 1074306611 /nfs/dbraw/zinc/30/66/11/1074306611.db2.gz HHNCOJKGLGDBAP-UWJYYQICSA-N 1 2 417.531 0.830 20 0 HCADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000607284544 1074307767 /nfs/dbraw/zinc/30/77/67/1074307767.db2.gz DTICIJKJUQXEBY-UHFFFAOYSA-N 1 2 422.463 0.128 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000607284709 1074307691 /nfs/dbraw/zinc/30/76/91/1074307691.db2.gz UTGWDEXIOGEMMH-KRWDZBQOSA-N 1 2 411.462 0.673 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000607284710 1074307653 /nfs/dbraw/zinc/30/76/53/1074307653.db2.gz UTGWDEXIOGEMMH-QGZVFWFLSA-N 1 2 411.462 0.673 20 0 HCADLO Cn1c(=O)c2cc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cnc2n(C)c1=O ZINC000607292571 1074308668 /nfs/dbraw/zinc/30/86/68/1074308668.db2.gz MJOUYJHBCRFVFO-KRWDZBQOSA-N 1 2 409.446 0.472 20 0 HCADLO Cn1c(=O)c2cc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cnc2n(C)c1=O ZINC000607292571 1074308663 /nfs/dbraw/zinc/30/86/63/1074308663.db2.gz MJOUYJHBCRFVFO-KRWDZBQOSA-N 1 2 409.446 0.472 20 0 HCADLO Cn1c(=O)c2cc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cnc2n(C)c1=O ZINC000607292572 1074308639 /nfs/dbraw/zinc/30/86/39/1074308639.db2.gz MJOUYJHBCRFVFO-QGZVFWFLSA-N 1 2 409.446 0.472 20 0 HCADLO Cn1c(=O)c2cc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)cnc2n(C)c1=O ZINC000607292572 1074308635 /nfs/dbraw/zinc/30/86/35/1074308635.db2.gz MJOUYJHBCRFVFO-QGZVFWFLSA-N 1 2 409.446 0.472 20 0 HCADLO COCC(=O)N[C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C(C)C ZINC000607293705 1074308683 /nfs/dbraw/zinc/30/86/83/1074308683.db2.gz ZTDGUXGCKQOBAB-FQEVSTJZSA-N 1 2 404.511 0.993 20 0 HCADLO C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607317683 1074311210 /nfs/dbraw/zinc/31/12/10/1074311210.db2.gz QOIYOILXBDBXLB-CRAIPNDOSA-N 1 2 400.483 0.386 20 0 HCADLO C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607317683 1074311199 /nfs/dbraw/zinc/31/11/99/1074311199.db2.gz QOIYOILXBDBXLB-CRAIPNDOSA-N 1 2 400.483 0.386 20 0 HCADLO C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607317684 1074311238 /nfs/dbraw/zinc/31/12/38/1074311238.db2.gz QOIYOILXBDBXLB-MAUKXSAKSA-N 1 2 400.483 0.386 20 0 HCADLO C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607317684 1074311232 /nfs/dbraw/zinc/31/12/32/1074311232.db2.gz QOIYOILXBDBXLB-MAUKXSAKSA-N 1 2 400.483 0.386 20 0 HCADLO C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607317685 1074311105 /nfs/dbraw/zinc/31/11/05/1074311105.db2.gz QOIYOILXBDBXLB-QAPCUYQASA-N 1 2 400.483 0.386 20 0 HCADLO C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607317685 1074311100 /nfs/dbraw/zinc/31/11/00/1074311100.db2.gz QOIYOILXBDBXLB-QAPCUYQASA-N 1 2 400.483 0.386 20 0 HCADLO C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607317686 1074311027 /nfs/dbraw/zinc/31/10/27/1074311027.db2.gz QOIYOILXBDBXLB-YJBOKZPZSA-N 1 2 400.483 0.386 20 0 HCADLO C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607317686 1074311020 /nfs/dbraw/zinc/31/10/20/1074311020.db2.gz QOIYOILXBDBXLB-YJBOKZPZSA-N 1 2 400.483 0.386 20 0 HCADLO Cc1cccc2c(CC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c[nH]c21 ZINC000607333906 1074313883 /nfs/dbraw/zinc/31/38/83/1074313883.db2.gz CONRCZHDOYLWRN-UHFFFAOYSA-N 1 2 419.551 0.655 20 0 HCADLO COCC(=O)N[C@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000607337995 1074315190 /nfs/dbraw/zinc/31/51/90/1074315190.db2.gz RKXGNGFYUSKPEG-IBGZPJMESA-N 1 2 405.499 0.024 20 0 HCADLO O=C(N[C@@H](Cn1cccn1)c1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607346248 1074309944 /nfs/dbraw/zinc/30/99/44/1074309944.db2.gz KQYGNGWCSYQUFV-PMACEKPBSA-N 1 2 411.506 0.921 20 0 HCADLO O=C(N[C@@H](Cn1cccn1)c1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607346249 1074310139 /nfs/dbraw/zinc/31/01/39/1074310139.db2.gz KQYGNGWCSYQUFV-UXHICEINSA-N 1 2 411.506 0.921 20 0 HCADLO O=C(N[C@H](Cn1cccn1)c1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607346250 1074310151 /nfs/dbraw/zinc/31/01/51/1074310151.db2.gz KQYGNGWCSYQUFV-VQTJNVASSA-N 1 2 411.506 0.921 20 0 HCADLO O=C(N[C@H](Cn1cccn1)c1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607346251 1074309921 /nfs/dbraw/zinc/30/99/21/1074309921.db2.gz KQYGNGWCSYQUFV-WOJBJXKFSA-N 1 2 411.506 0.921 20 0 HCADLO COCCN(CCOC)S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607363538 1074321411 /nfs/dbraw/zinc/32/14/11/1074321411.db2.gz OZSGVZCFECXOPV-HKUYNNGSSA-N 1 2 415.556 0.705 20 0 HCADLO COCCN(CCOC)S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607363538 1074321404 /nfs/dbraw/zinc/32/14/04/1074321404.db2.gz OZSGVZCFECXOPV-HKUYNNGSSA-N 1 2 415.556 0.705 20 0 HCADLO COCCN(CCOC)S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607363541 1074321378 /nfs/dbraw/zinc/32/13/78/1074321378.db2.gz OZSGVZCFECXOPV-IEBWSBKVSA-N 1 2 415.556 0.705 20 0 HCADLO COCCN(CCOC)S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607363541 1074321371 /nfs/dbraw/zinc/32/13/71/1074321371.db2.gz OZSGVZCFECXOPV-IEBWSBKVSA-N 1 2 415.556 0.705 20 0 HCADLO COCCN(CCOC)S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607363542 1074321471 /nfs/dbraw/zinc/32/14/71/1074321471.db2.gz OZSGVZCFECXOPV-MJGOQNOKSA-N 1 2 415.556 0.705 20 0 HCADLO COCCN(CCOC)S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607363542 1074321463 /nfs/dbraw/zinc/32/14/63/1074321463.db2.gz OZSGVZCFECXOPV-MJGOQNOKSA-N 1 2 415.556 0.705 20 0 HCADLO COCCN(CCOC)S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607363544 1074321334 /nfs/dbraw/zinc/32/13/34/1074321334.db2.gz OZSGVZCFECXOPV-PKOBYXMFSA-N 1 2 415.556 0.705 20 0 HCADLO COCCN(CCOC)S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607363544 1074321331 /nfs/dbraw/zinc/32/13/31/1074321331.db2.gz OZSGVZCFECXOPV-PKOBYXMFSA-N 1 2 415.556 0.705 20 0 HCADLO CCc1cc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)on1 ZINC000607373394 1074322960 /nfs/dbraw/zinc/32/29/60/1074322960.db2.gz RGPUVGJWKDCCPF-UHFFFAOYSA-N 1 2 422.511 0.583 20 0 HCADLO NC(=O)N1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000607391195 1074320980 /nfs/dbraw/zinc/32/09/80/1074320980.db2.gz NAUMHVAOWXEEPX-UHFFFAOYSA-N 1 2 401.511 0.352 20 0 HCADLO NC(=O)N1CCC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000607391195 1074320973 /nfs/dbraw/zinc/32/09/73/1074320973.db2.gz NAUMHVAOWXEEPX-UHFFFAOYSA-N 1 2 401.511 0.352 20 0 HCADLO COCCN(CC(=O)N(C)C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000607391352 1074319992 /nfs/dbraw/zinc/31/99/92/1074319992.db2.gz ZWIQPHBZCZGXBZ-UHFFFAOYSA-N 1 2 418.538 0.302 20 0 HCADLO COc1ccc(-c2nnc(CNC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)[nH]2)cc1 ZINC000607417543 1074324147 /nfs/dbraw/zinc/32/41/47/1074324147.db2.gz WNIPZZQKKRXBQG-HNNXBMFYSA-N 1 2 401.471 0.619 20 0 HCADLO COc1ccc(-c2nnc(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)[nH]2)cc1 ZINC000607417543 1074324141 /nfs/dbraw/zinc/32/41/41/1074324141.db2.gz WNIPZZQKKRXBQG-HNNXBMFYSA-N 1 2 401.471 0.619 20 0 HCADLO COc1ccc(-c2n[nH]c(CNC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)n2)cc1 ZINC000607417543 1074324134 /nfs/dbraw/zinc/32/41/34/1074324134.db2.gz WNIPZZQKKRXBQG-HNNXBMFYSA-N 1 2 401.471 0.619 20 0 HCADLO COc1ccc(-c2n[nH]c(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)n2)cc1 ZINC000607417543 1074324126 /nfs/dbraw/zinc/32/41/26/1074324126.db2.gz WNIPZZQKKRXBQG-HNNXBMFYSA-N 1 2 401.471 0.619 20 0 HCADLO COc1ccc(-c2nnc(CNC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)[nH]2)cc1 ZINC000607417548 1074324021 /nfs/dbraw/zinc/32/40/21/1074324021.db2.gz WNIPZZQKKRXBQG-OAHLLOKOSA-N 1 2 401.471 0.619 20 0 HCADLO COc1ccc(-c2nnc(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)[nH]2)cc1 ZINC000607417548 1074324011 /nfs/dbraw/zinc/32/40/11/1074324011.db2.gz WNIPZZQKKRXBQG-OAHLLOKOSA-N 1 2 401.471 0.619 20 0 HCADLO COc1ccc(-c2n[nH]c(CNC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)n2)cc1 ZINC000607417548 1074324003 /nfs/dbraw/zinc/32/40/03/1074324003.db2.gz WNIPZZQKKRXBQG-OAHLLOKOSA-N 1 2 401.471 0.619 20 0 HCADLO COc1ccc(-c2n[nH]c(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)n2)cc1 ZINC000607417548 1074323996 /nfs/dbraw/zinc/32/39/96/1074323996.db2.gz WNIPZZQKKRXBQG-OAHLLOKOSA-N 1 2 401.471 0.619 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)CC2)cn1 ZINC000607422645 1074325299 /nfs/dbraw/zinc/32/52/99/1074325299.db2.gz JFAXKEXEGLKKTC-UHFFFAOYSA-N 1 2 421.527 0.886 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)cn1 ZINC000607423104 1074324754 /nfs/dbraw/zinc/32/47/54/1074324754.db2.gz SOCRBEOBTAUEME-AWEZNQCLSA-N 1 2 421.527 0.886 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)cn1 ZINC000607423105 1074324945 /nfs/dbraw/zinc/32/49/45/1074324945.db2.gz SOCRBEOBTAUEME-CQSZACIVSA-N 1 2 421.527 0.886 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC2)cn1 ZINC000607423116 1074324925 /nfs/dbraw/zinc/32/49/25/1074324925.db2.gz UFIMINAYNWOPIC-INIZCTEOSA-N 1 2 421.527 0.816 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC2)cn1 ZINC000607423119 1074324598 /nfs/dbraw/zinc/32/45/98/1074324598.db2.gz UFIMINAYNWOPIC-MRXNPFEDSA-N 1 2 421.527 0.816 20 0 HCADLO CC(C)(C)c1nc(=NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s[nH]1 ZINC000607427998 1074326240 /nfs/dbraw/zinc/32/62/40/1074326240.db2.gz DEPXHTWAXQFQHN-HXUWFJFHSA-N 1 2 417.535 0.949 20 0 HCADLO CC(C)(C)c1nc(=NC(=O)C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s[nH]1 ZINC000607427998 1074326233 /nfs/dbraw/zinc/32/62/33/1074326233.db2.gz DEPXHTWAXQFQHN-HXUWFJFHSA-N 1 2 417.535 0.949 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000607432547 1074330173 /nfs/dbraw/zinc/33/01/73/1074330173.db2.gz VJLIPLUVVQUEPF-CGTJXYLNSA-N 1 2 414.506 0.942 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000607432548 1074330362 /nfs/dbraw/zinc/33/03/62/1074330362.db2.gz VJLIPLUVVQUEPF-JQHSSLGASA-N 1 2 414.506 0.942 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000607432549 1074330234 /nfs/dbraw/zinc/33/02/34/1074330234.db2.gz VJLIPLUVVQUEPF-KBAYOESNSA-N 1 2 414.506 0.942 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000607432550 1074330191 /nfs/dbraw/zinc/33/01/91/1074330191.db2.gz VJLIPLUVVQUEPF-NXHRZFHOSA-N 1 2 414.506 0.942 20 0 HCADLO CCN1C[C@H](C[N@@H+](C)[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)Oc2ccccc21 ZINC000607549414 1074335303 /nfs/dbraw/zinc/33/53/03/1074335303.db2.gz FMXQDPBIMJTSHW-KBPBESRZSA-N 1 2 415.494 0.457 20 0 HCADLO CCN1C[C@H](C[N@H+](C)[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)Oc2ccccc21 ZINC000607549414 1074335299 /nfs/dbraw/zinc/33/52/99/1074335299.db2.gz FMXQDPBIMJTSHW-KBPBESRZSA-N 1 2 415.494 0.457 20 0 HCADLO CCN1C[C@H](C[N@@H+](C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)Oc2ccccc21 ZINC000607549416 1074335399 /nfs/dbraw/zinc/33/53/99/1074335399.db2.gz FMXQDPBIMJTSHW-KGLIPLIRSA-N 1 2 415.494 0.457 20 0 HCADLO CCN1C[C@H](C[N@H+](C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)Oc2ccccc21 ZINC000607549416 1074335391 /nfs/dbraw/zinc/33/53/91/1074335391.db2.gz FMXQDPBIMJTSHW-KGLIPLIRSA-N 1 2 415.494 0.457 20 0 HCADLO CCN1C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)Oc2ccccc21 ZINC000607549419 1074335673 /nfs/dbraw/zinc/33/56/73/1074335673.db2.gz FMXQDPBIMJTSHW-UONOGXRCSA-N 1 2 415.494 0.457 20 0 HCADLO CCN1C[C@@H](C[N@H+](C)[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)Oc2ccccc21 ZINC000607549419 1074335663 /nfs/dbraw/zinc/33/56/63/1074335663.db2.gz FMXQDPBIMJTSHW-UONOGXRCSA-N 1 2 415.494 0.457 20 0 HCADLO CCN1C[C@@H](C[N@@H+](C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)Oc2ccccc21 ZINC000607549421 1074335644 /nfs/dbraw/zinc/33/56/44/1074335644.db2.gz FMXQDPBIMJTSHW-ZIAGYGMSSA-N 1 2 415.494 0.457 20 0 HCADLO CCN1C[C@@H](C[N@H+](C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)Oc2ccccc21 ZINC000607549421 1074335641 /nfs/dbraw/zinc/33/56/41/1074335641.db2.gz FMXQDPBIMJTSHW-ZIAGYGMSSA-N 1 2 415.494 0.457 20 0 HCADLO Cc1cc(N2CCN([C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000607586382 1074337975 /nfs/dbraw/zinc/33/79/75/1074337975.db2.gz IFRBUULGSMEMIS-CVEARBPZSA-N 1 2 409.556 0.722 20 0 HCADLO Cc1cc(N2CCN([C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000607586386 1074337964 /nfs/dbraw/zinc/33/79/64/1074337964.db2.gz IFRBUULGSMEMIS-HOTGVXAUSA-N 1 2 409.556 0.722 20 0 HCADLO Cc1cc(N2CCN([C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000607586387 1074337658 /nfs/dbraw/zinc/33/76/58/1074337658.db2.gz IFRBUULGSMEMIS-HZPDHXFCSA-N 1 2 409.556 0.722 20 0 HCADLO Cc1cc(N2CCN([C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000607586388 1074338025 /nfs/dbraw/zinc/33/80/25/1074338025.db2.gz IFRBUULGSMEMIS-JKSUJKDBSA-N 1 2 409.556 0.722 20 0 HCADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cn1 ZINC000607616011 1074339700 /nfs/dbraw/zinc/33/97/00/1074339700.db2.gz MRRXIIHSHVFCET-UHFFFAOYSA-N 1 2 408.440 0.209 20 0 HCADLO CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000607616013 1074339938 /nfs/dbraw/zinc/33/99/38/1074339938.db2.gz MYQSGXXEVGXNIT-UHFFFAOYSA-N 1 2 422.511 0.710 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000607616243 1074339383 /nfs/dbraw/zinc/33/93/83/1074339383.db2.gz IYCLPMNCKSTBPG-UHFFFAOYSA-N 1 2 408.484 0.320 20 0 HCADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cn1 ZINC000607616321 1074339844 /nfs/dbraw/zinc/33/98/44/1074339844.db2.gz NXNYAKIVODJBCF-UHFFFAOYSA-N 1 2 417.495 0.547 20 0 HCADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)cn1 ZINC000607616422 1074339511 /nfs/dbraw/zinc/33/95/11/1074339511.db2.gz OABPIAVHJDLFJY-UHFFFAOYSA-N 1 2 405.402 0.779 20 0 HCADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)cn1 ZINC000607616432 1074339360 /nfs/dbraw/zinc/33/93/60/1074339360.db2.gz OSEFMVKUTIWKKE-UHFFFAOYSA-N 1 2 405.402 0.779 20 0 HCADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 ZINC000607616487 1074339438 /nfs/dbraw/zinc/33/94/38/1074339438.db2.gz SQOZXOSENYXJSU-UHFFFAOYSA-N 1 2 423.495 0.523 20 0 HCADLO CCC(CC)c1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000607626430 1074345704 /nfs/dbraw/zinc/34/57/04/1074345704.db2.gz WYLXJJSYOPERLU-UHFFFAOYSA-N 1 2 413.544 0.828 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3nnn(C)c3C)cc2)CC1 ZINC000607641517 1074347773 /nfs/dbraw/zinc/34/77/73/1074347773.db2.gz JNVMQBSAIOXMDK-UHFFFAOYSA-N 1 2 414.510 0.639 20 0 HCADLO CCS(=O)(=O)NCc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000607643371 1074347685 /nfs/dbraw/zinc/34/76/85/1074347685.db2.gz INGQZBWPEAFTAF-UHFFFAOYSA-N 1 2 421.523 0.907 20 0 HCADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)CC1 ZINC000607652179 1074341981 /nfs/dbraw/zinc/34/19/81/1074341981.db2.gz JDXOFJRDGJERAU-UHFFFAOYSA-N 1 2 417.554 0.573 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(N2CCCC2=O)ccc1F ZINC000607652924 1074342515 /nfs/dbraw/zinc/34/25/15/1074342515.db2.gz COFJRUUWHZBJMN-HNNXBMFYSA-N 1 2 418.469 0.615 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(N2CCCC2=O)ccc1F ZINC000607652925 1074342422 /nfs/dbraw/zinc/34/24/22/1074342422.db2.gz COFJRUUWHZBJMN-OAHLLOKOSA-N 1 2 418.469 0.615 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc(-c2ccncc2)s1 ZINC000607653114 1074341797 /nfs/dbraw/zinc/34/17/97/1074341797.db2.gz PAYCTAWGIZQFDM-HNNXBMFYSA-N 1 2 401.492 0.868 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc(-c2ccncc2)s1 ZINC000607653115 1074341701 /nfs/dbraw/zinc/34/17/01/1074341701.db2.gz PAYCTAWGIZQFDM-OAHLLOKOSA-N 1 2 401.492 0.868 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnc(OCC(F)(F)F)c1 ZINC000607653163 1074342350 /nfs/dbraw/zinc/34/23/50/1074342350.db2.gz VBEHZYPLPNNYIK-AWEZNQCLSA-N 1 2 416.400 0.686 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnc(OCC(F)(F)F)c1 ZINC000607653164 1074342437 /nfs/dbraw/zinc/34/24/37/1074342437.db2.gz VBEHZYPLPNNYIK-CQSZACIVSA-N 1 2 416.400 0.686 20 0 HCADLO CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000607663185 1074344076 /nfs/dbraw/zinc/34/40/76/1074344076.db2.gz XLIUYLOPQHVHLP-FCEWJHQRSA-N 1 2 407.515 0.814 20 0 HCADLO CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000607663185 1074344071 /nfs/dbraw/zinc/34/40/71/1074344071.db2.gz XLIUYLOPQHVHLP-FCEWJHQRSA-N 1 2 407.515 0.814 20 0 HCADLO CC(C)[C@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000607663186 1074344448 /nfs/dbraw/zinc/34/44/48/1074344448.db2.gz XLIUYLOPQHVHLP-GPMSIDNRSA-N 1 2 407.515 0.814 20 0 HCADLO CC(C)[C@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000607663187 1074344671 /nfs/dbraw/zinc/34/46/71/1074344671.db2.gz XLIUYLOPQHVHLP-JTDSTZFVSA-N 1 2 407.515 0.814 20 0 HCADLO CC(C)[C@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000607663187 1074344660 /nfs/dbraw/zinc/34/46/60/1074344660.db2.gz XLIUYLOPQHVHLP-JTDSTZFVSA-N 1 2 407.515 0.814 20 0 HCADLO CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000607663188 1074344564 /nfs/dbraw/zinc/34/45/64/1074344564.db2.gz XLIUYLOPQHVHLP-MDZRGWNJSA-N 1 2 407.515 0.814 20 0 HCADLO CN(C)C(=O)Nc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000607674840 1074350235 /nfs/dbraw/zinc/35/02/35/1074350235.db2.gz ZUQCDDLDPDAQIC-KRWDZBQOSA-N 1 2 417.510 0.577 20 0 HCADLO CN(C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000607674841 1074350167 /nfs/dbraw/zinc/35/01/67/1074350167.db2.gz ZUQCDDLDPDAQIC-QGZVFWFLSA-N 1 2 417.510 0.577 20 0 HCADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000607717579 1074360473 /nfs/dbraw/zinc/36/04/73/1074360473.db2.gz BERXEUCGPHKXCW-UHFFFAOYSA-N 1 2 411.528 0.132 20 0 HCADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000607718843 1074360947 /nfs/dbraw/zinc/36/09/47/1074360947.db2.gz MHPKKBBKEZHXSW-UHFFFAOYSA-N 1 2 421.523 0.382 20 0 HCADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000607719455 1074360887 /nfs/dbraw/zinc/36/08/87/1074360887.db2.gz AZKGFKSNNXKFHU-UHFFFAOYSA-N 1 2 421.523 0.382 20 0 HCADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(=O)Nc3nncs3)cn2)CC1 ZINC000607722946 1074362645 /nfs/dbraw/zinc/36/26/45/1074362645.db2.gz AMLDTBDLMYURQL-GFCCVEGCSA-N 1 2 401.496 0.975 20 0 HCADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(=O)Nc3nncs3)cn2)CC1 ZINC000607722947 1074362541 /nfs/dbraw/zinc/36/25/41/1074362541.db2.gz AMLDTBDLMYURQL-LBPRGKRZSA-N 1 2 401.496 0.975 20 0 HCADLO COCCCNC(=O)[C@H](C)N1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000607729332 1074355408 /nfs/dbraw/zinc/35/54/08/1074355408.db2.gz QUCLPTGOZDPNOB-INIZCTEOSA-N 1 2 409.531 0.010 20 0 HCADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000607729332 1074355400 /nfs/dbraw/zinc/35/54/00/1074355400.db2.gz QUCLPTGOZDPNOB-INIZCTEOSA-N 1 2 409.531 0.010 20 0 HCADLO COCCCNC(=O)[C@@H](C)N1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000607729333 1074355534 /nfs/dbraw/zinc/35/55/34/1074355534.db2.gz QUCLPTGOZDPNOB-MRXNPFEDSA-N 1 2 409.531 0.010 20 0 HCADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000607729333 1074355527 /nfs/dbraw/zinc/35/55/27/1074355527.db2.gz QUCLPTGOZDPNOB-MRXNPFEDSA-N 1 2 409.531 0.010 20 0 HCADLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000607732797 1074356169 /nfs/dbraw/zinc/35/61/69/1074356169.db2.gz WDWAGPMIRYICAQ-UHFFFAOYSA-N 1 2 424.567 0.594 20 0 HCADLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000607732797 1074356162 /nfs/dbraw/zinc/35/61/62/1074356162.db2.gz WDWAGPMIRYICAQ-UHFFFAOYSA-N 1 2 424.567 0.594 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000607733982 1074356108 /nfs/dbraw/zinc/35/61/08/1074356108.db2.gz YDJPJZNOOWKQPV-INIZCTEOSA-N 1 2 400.479 0.455 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000607733982 1074356102 /nfs/dbraw/zinc/35/61/02/1074356102.db2.gz YDJPJZNOOWKQPV-INIZCTEOSA-N 1 2 400.479 0.455 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@H+]2CCC[C@H](CCO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000607733983 1074355888 /nfs/dbraw/zinc/35/58/88/1074355888.db2.gz YDJPJZNOOWKQPV-MRXNPFEDSA-N 1 2 400.479 0.455 20 0 HCADLO Cn1c(=O)c(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)c(N)n(Cc2ccccc2)c1=O ZINC000607733983 1074355879 /nfs/dbraw/zinc/35/58/79/1074355879.db2.gz YDJPJZNOOWKQPV-MRXNPFEDSA-N 1 2 400.479 0.455 20 0 HCADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000607741107 1074355938 /nfs/dbraw/zinc/35/59/38/1074355938.db2.gz SCJCTFABLPCOFI-CYBMUJFWSA-N 1 2 402.524 0.926 20 0 HCADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000607741108 1074356731 /nfs/dbraw/zinc/35/67/31/1074356731.db2.gz SCJCTFABLPCOFI-ZDUSSCGKSA-N 1 2 402.524 0.926 20 0 HCADLO CCNC(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000607748777 1074357002 /nfs/dbraw/zinc/35/70/02/1074357002.db2.gz NFJWLUVEKXIYGR-UHFFFAOYSA-N 1 2 403.527 0.482 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1Cc2ccccc21 ZINC000607792717 1074363515 /nfs/dbraw/zinc/36/35/15/1074363515.db2.gz UZCFXWOVMKFMPF-GOSISDBHSA-N 1 2 400.504 0.990 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1Cc2ccccc21 ZINC000607792718 1074363789 /nfs/dbraw/zinc/36/37/89/1074363789.db2.gz UZCFXWOVMKFMPF-SFHVURJKSA-N 1 2 400.504 0.990 20 0 HCADLO CNC(=O)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000607837788 1074367623 /nfs/dbraw/zinc/36/76/23/1074367623.db2.gz BESDPQXMXJWARF-UHFFFAOYSA-N 1 2 410.478 0.635 20 0 HCADLO CNC(=O)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000607837788 1074367617 /nfs/dbraw/zinc/36/76/17/1074367617.db2.gz BESDPQXMXJWARF-UHFFFAOYSA-N 1 2 410.478 0.635 20 0 HCADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000607893383 1074374797 /nfs/dbraw/zinc/37/47/97/1074374797.db2.gz DJQDVOUJERPQHO-AWEZNQCLSA-N 1 2 405.524 0.836 20 0 HCADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000607893385 1074374638 /nfs/dbraw/zinc/37/46/38/1074374638.db2.gz DJQDVOUJERPQHO-CQSZACIVSA-N 1 2 405.524 0.836 20 0 HCADLO COCC[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 ZINC000607893859 1074374683 /nfs/dbraw/zinc/37/46/83/1074374683.db2.gz XLCBDXCZYCANKA-UHFFFAOYSA-N 1 2 411.524 0.343 20 0 HCADLO COCC[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 ZINC000607893859 1074374673 /nfs/dbraw/zinc/37/46/73/1074374673.db2.gz XLCBDXCZYCANKA-UHFFFAOYSA-N 1 2 411.524 0.343 20 0 HCADLO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000607899551 1074375742 /nfs/dbraw/zinc/37/57/42/1074375742.db2.gz VWTRISNVKZEORV-UHFFFAOYSA-N 1 2 403.460 0.847 20 0 HCADLO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C1 ZINC000607901916 1074375816 /nfs/dbraw/zinc/37/58/16/1074375816.db2.gz TYQWEEMZRBFTTN-INIZCTEOSA-N 1 2 411.524 0.389 20 0 HCADLO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C1 ZINC000607901916 1074375811 /nfs/dbraw/zinc/37/58/11/1074375811.db2.gz TYQWEEMZRBFTTN-INIZCTEOSA-N 1 2 411.524 0.389 20 0 HCADLO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C1 ZINC000607901917 1074375663 /nfs/dbraw/zinc/37/56/63/1074375663.db2.gz TYQWEEMZRBFTTN-MRXNPFEDSA-N 1 2 411.524 0.389 20 0 HCADLO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C1 ZINC000607901917 1074375652 /nfs/dbraw/zinc/37/56/52/1074375652.db2.gz TYQWEEMZRBFTTN-MRXNPFEDSA-N 1 2 411.524 0.389 20 0 HCADLO COc1ccc2c(c1)OCC[C@H]2NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607913877 1074371963 /nfs/dbraw/zinc/37/19/63/1074371963.db2.gz YIWVFZSVDHEYBZ-CRAIPNDOSA-N 1 2 403.479 0.816 20 0 HCADLO COc1ccc2c(c1)OCC[C@H]2NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607913878 1074371933 /nfs/dbraw/zinc/37/19/33/1074371933.db2.gz YIWVFZSVDHEYBZ-MAUKXSAKSA-N 1 2 403.479 0.816 20 0 HCADLO COc1ccc2c(c1)OCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607913879 1074371974 /nfs/dbraw/zinc/37/19/74/1074371974.db2.gz YIWVFZSVDHEYBZ-QAPCUYQASA-N 1 2 403.479 0.816 20 0 HCADLO COc1ccc2c(c1)OCC[C@@H]2NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000607913880 1074372438 /nfs/dbraw/zinc/37/24/38/1074372438.db2.gz YIWVFZSVDHEYBZ-YJBOKZPZSA-N 1 2 403.479 0.816 20 0 HCADLO CCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000608016519 1074382553 /nfs/dbraw/zinc/38/25/53/1074382553.db2.gz NDBNQOSSYARKJI-INIZCTEOSA-N 1 2 422.507 0.204 20 0 HCADLO CCCC(=O)NC1CC[NH+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000608017548 1074382566 /nfs/dbraw/zinc/38/25/66/1074382566.db2.gz RHJKYJBVDFHRJB-INIZCTEOSA-N 1 2 422.507 0.347 20 0 HCADLO CCCC(=O)NC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000608017549 1074382417 /nfs/dbraw/zinc/38/24/17/1074382417.db2.gz RHJKYJBVDFHRJB-MRXNPFEDSA-N 1 2 422.507 0.347 20 0 HCADLO COc1cc(C[NH2+]Cc2nnnn2C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000608068414 1074386986 /nfs/dbraw/zinc/38/69/86/1074386986.db2.gz DDFLOESAKPOPNU-UHFFFAOYSA-N 1 2 402.455 0.544 20 0 HCADLO CC[C@@H](c1nnc(Sc2nccn(C)c2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000608078851 1074387232 /nfs/dbraw/zinc/38/72/32/1074387232.db2.gz HKSHXPIBRSTPMZ-AWEZNQCLSA-N 1 2 407.544 0.868 20 0 HCADLO CC[C@H](c1nnc(Sc2nccn(C)c2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000608078856 1074387177 /nfs/dbraw/zinc/38/71/77/1074387177.db2.gz HKSHXPIBRSTPMZ-CQSZACIVSA-N 1 2 407.544 0.868 20 0 HCADLO c1ccc2c(c1)[nH+]c(NCc1nnnn1C1CC1)nc2NCc1nnnn1C1CC1 ZINC000608093624 1074392832 /nfs/dbraw/zinc/39/28/32/1074392832.db2.gz MHFWWBFYAVGLOB-UHFFFAOYSA-N 1 2 404.442 0.341 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)N(CCC(N)=O)c1ccccc1OC)CC2 ZINC000608095999 1074392729 /nfs/dbraw/zinc/39/27/29/1074392729.db2.gz CYLPQPSPMMQUTC-UHFFFAOYSA-N 1 2 413.478 0.539 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)N(CCC(N)=O)c1ccccc1OC)CC2 ZINC000608095999 1074392717 /nfs/dbraw/zinc/39/27/17/1074392717.db2.gz CYLPQPSPMMQUTC-UHFFFAOYSA-N 1 2 413.478 0.539 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+]([C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000608096228 1074394123 /nfs/dbraw/zinc/39/41/23/1074394123.db2.gz JACLSLPCOQSFKP-GFCCVEGCSA-N 1 2 405.480 0.296 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+]([C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000608096228 1074394115 /nfs/dbraw/zinc/39/41/15/1074394115.db2.gz JACLSLPCOQSFKP-GFCCVEGCSA-N 1 2 405.480 0.296 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+]([C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000608096229 1074393805 /nfs/dbraw/zinc/39/38/05/1074393805.db2.gz JACLSLPCOQSFKP-LBPRGKRZSA-N 1 2 405.480 0.296 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+]([C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000608096229 1074393797 /nfs/dbraw/zinc/39/37/97/1074393797.db2.gz JACLSLPCOQSFKP-LBPRGKRZSA-N 1 2 405.480 0.296 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCCOc1ccc3c(c1)OCO3)CC2 ZINC000608096240 1074393917 /nfs/dbraw/zinc/39/39/17/1074393917.db2.gz KHCIPFWFGGFLFZ-UHFFFAOYSA-N 1 2 400.435 0.545 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCCOc1ccc3c(c1)OCO3)CC2 ZINC000608096240 1074393906 /nfs/dbraw/zinc/39/39/06/1074393906.db2.gz KHCIPFWFGGFLFZ-UHFFFAOYSA-N 1 2 400.435 0.545 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1cccc(C(=O)NC3CC3)c1)CC2 ZINC000608096253 1074393880 /nfs/dbraw/zinc/39/38/80/1074393880.db2.gz LCJOOVDKCQXMRZ-UHFFFAOYSA-N 1 2 409.490 0.830 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1cccc(C(=O)NC3CC3)c1)CC2 ZINC000608096253 1074393865 /nfs/dbraw/zinc/39/38/65/1074393865.db2.gz LCJOOVDKCQXMRZ-UHFFFAOYSA-N 1 2 409.490 0.830 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCCc1ccc(OC)c(OC)c1)CC2 ZINC000608096298 1074393727 /nfs/dbraw/zinc/39/37/27/1074393727.db2.gz QYXPIYIXZSOVIZ-UHFFFAOYSA-N 1 2 400.479 0.997 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCCc1ccc(OC)c(OC)c1)CC2 ZINC000608096298 1074393713 /nfs/dbraw/zinc/39/37/13/1074393713.db2.gz QYXPIYIXZSOVIZ-UHFFFAOYSA-N 1 2 400.479 0.997 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1c(OC)cc(OC)cc1OC)CC2 ZINC000608096304 1074394163 /nfs/dbraw/zinc/39/41/63/1074394163.db2.gz RJDFRUKDPNBFNM-UHFFFAOYSA-N 1 2 416.478 0.964 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1c(OC)cc(OC)cc1OC)CC2 ZINC000608096304 1074394159 /nfs/dbraw/zinc/39/41/59/1074394159.db2.gz RJDFRUKDPNBFNM-UHFFFAOYSA-N 1 2 416.478 0.964 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)CC2 ZINC000608096396 1074393778 /nfs/dbraw/zinc/39/37/78/1074393778.db2.gz AKRXFEPYKSGGHS-UHFFFAOYSA-N 1 2 416.478 0.964 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)CC2 ZINC000608096396 1074393766 /nfs/dbraw/zinc/39/37/66/1074393766.db2.gz AKRXFEPYKSGGHS-UHFFFAOYSA-N 1 2 416.478 0.964 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1ccc(OCCOC)cc1)CC2 ZINC000608096681 1074394099 /nfs/dbraw/zinc/39/40/99/1074394099.db2.gz WDWONZLMAVUHJC-UHFFFAOYSA-N 1 2 400.479 0.963 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1ccc(OCCOC)cc1)CC2 ZINC000608096681 1074394093 /nfs/dbraw/zinc/39/40/93/1074394093.db2.gz WDWONZLMAVUHJC-UHFFFAOYSA-N 1 2 400.479 0.963 20 0 HCADLO CCCCn1c2nc(C[N@H+]3CCc4nn(CC)c(=O)cc4C3)n(C)c2c(=O)[nH]c1=O ZINC000608096686 1074394082 /nfs/dbraw/zinc/39/40/82/1074394082.db2.gz WJTFSNOEYLKILU-UHFFFAOYSA-N 1 2 413.482 0.771 20 0 HCADLO CCCCn1c2nc(C[N@@H+]3CCc4nn(CC)c(=O)cc4C3)n(C)c2c(=O)[nH]c1=O ZINC000608096686 1074394077 /nfs/dbraw/zinc/39/40/77/1074394077.db2.gz WJTFSNOEYLKILU-UHFFFAOYSA-N 1 2 413.482 0.771 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1cccc(OCCOC)c1)CC2 ZINC000608096695 1074394023 /nfs/dbraw/zinc/39/40/23/1074394023.db2.gz XGUWKNLRCJWWSS-UHFFFAOYSA-N 1 2 400.479 0.963 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1cccc(OCCOC)c1)CC2 ZINC000608096695 1074394019 /nfs/dbraw/zinc/39/40/19/1074394019.db2.gz XGUWKNLRCJWWSS-UHFFFAOYSA-N 1 2 400.479 0.963 20 0 HCADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000608096816 1074393130 /nfs/dbraw/zinc/39/31/30/1074393130.db2.gz SGDOLDOXEYUOLF-UHFFFAOYSA-N 1 2 417.535 0.848 20 0 HCADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000608096816 1074393125 /nfs/dbraw/zinc/39/31/25/1074393125.db2.gz SGDOLDOXEYUOLF-UHFFFAOYSA-N 1 2 417.535 0.848 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+]([C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000608096836 1074393303 /nfs/dbraw/zinc/39/33/03/1074393303.db2.gz UIHGQYKGFRIZRQ-GFCCVEGCSA-N 1 2 405.480 0.296 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+]([C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000608096836 1074393295 /nfs/dbraw/zinc/39/32/95/1074393295.db2.gz UIHGQYKGFRIZRQ-GFCCVEGCSA-N 1 2 405.480 0.296 20 0 HCADLO CCn1nc2c(cc1=O)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000608096837 1074393207 /nfs/dbraw/zinc/39/32/07/1074393207.db2.gz UIHGQYKGFRIZRQ-LBPRGKRZSA-N 1 2 405.480 0.296 20 0 HCADLO CCn1nc2c(cc1=O)C[N@H+]([C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000608096837 1074393201 /nfs/dbraw/zinc/39/32/01/1074393201.db2.gz UIHGQYKGFRIZRQ-LBPRGKRZSA-N 1 2 405.480 0.296 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000608120074 1074392214 /nfs/dbraw/zinc/39/22/14/1074392214.db2.gz MEWXUFYOPCUMHV-INIZCTEOSA-N 1 2 409.508 0.273 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000608120074 1074392207 /nfs/dbraw/zinc/39/22/07/1074392207.db2.gz MEWXUFYOPCUMHV-INIZCTEOSA-N 1 2 409.508 0.273 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000608120075 1074392087 /nfs/dbraw/zinc/39/20/87/1074392087.db2.gz MEWXUFYOPCUMHV-MRXNPFEDSA-N 1 2 409.508 0.273 20 0 HCADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000608120075 1074392078 /nfs/dbraw/zinc/39/20/78/1074392078.db2.gz MEWXUFYOPCUMHV-MRXNPFEDSA-N 1 2 409.508 0.273 20 0 HCADLO Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc(C3CC3)nc21 ZINC000608150232 1074394849 /nfs/dbraw/zinc/39/48/49/1074394849.db2.gz SFDNZWRCKFXWMP-CQSZACIVSA-N 1 2 413.478 0.848 20 0 HCADLO Cn1cc[nH+]c1C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 ZINC000608205909 1074412111 /nfs/dbraw/zinc/41/21/11/1074412111.db2.gz LCKLDWROROUCTN-HNNXBMFYSA-N 1 2 421.461 0.267 20 0 HCADLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 ZINC000608205910 1074412122 /nfs/dbraw/zinc/41/21/22/1074412122.db2.gz LCKLDWROROUCTN-OAHLLOKOSA-N 1 2 421.461 0.267 20 0 HCADLO Cn1cc[nH+]c1C[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)c1ccccc1 ZINC000608206195 1074411936 /nfs/dbraw/zinc/41/19/36/1074411936.db2.gz UGHOGHUMHQXRQI-INIZCTEOSA-N 1 2 402.480 0.754 20 0 HCADLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)c1ccccc1 ZINC000608206196 1074412027 /nfs/dbraw/zinc/41/20/27/1074412027.db2.gz UGHOGHUMHQXRQI-MRXNPFEDSA-N 1 2 402.480 0.754 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000608206344 1074412053 /nfs/dbraw/zinc/41/20/53/1074412053.db2.gz BYRBTTJICSPLKU-INIZCTEOSA-N 1 2 402.480 0.532 20 0 HCADLO Cn1cc(S(=O)(=O)NCC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000608206349 1074412086 /nfs/dbraw/zinc/41/20/86/1074412086.db2.gz BYRBTTJICSPLKU-MRXNPFEDSA-N 1 2 402.480 0.532 20 0 HCADLO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1C ZINC000608208772 1074412940 /nfs/dbraw/zinc/41/29/40/1074412940.db2.gz YEEKYTBGVNFODV-INIZCTEOSA-N 1 2 416.507 0.841 20 0 HCADLO Cc1nc(S(=O)(=O)NCC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1C ZINC000608208773 1074412674 /nfs/dbraw/zinc/41/26/74/1074412674.db2.gz YEEKYTBGVNFODV-MRXNPFEDSA-N 1 2 416.507 0.841 20 0 HCADLO Cn1cc[nH+]c1C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000608208918 1074412747 /nfs/dbraw/zinc/41/27/47/1074412747.db2.gz ZPRXJNDCZWQGOO-HNNXBMFYSA-N 1 2 421.461 0.267 20 0 HCADLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000608208920 1074412724 /nfs/dbraw/zinc/41/27/24/1074412724.db2.gz ZPRXJNDCZWQGOO-OAHLLOKOSA-N 1 2 421.461 0.267 20 0 HCADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608274122 1074415327 /nfs/dbraw/zinc/41/53/27/1074415327.db2.gz OZTPKQGBNKDUOK-HNNXBMFYSA-N 1 2 423.539 0.620 20 0 HCADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608274123 1074415042 /nfs/dbraw/zinc/41/50/42/1074415042.db2.gz OZTPKQGBNKDUOK-OAHLLOKOSA-N 1 2 423.539 0.620 20 0 HCADLO CNS(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000608310621 1074422593 /nfs/dbraw/zinc/42/25/93/1074422593.db2.gz ZSYMSTBRTBRFBZ-UHFFFAOYSA-N 1 2 408.484 0.767 20 0 HCADLO COCCCNC(=O)C1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000608312700 1074423238 /nfs/dbraw/zinc/42/32/38/1074423238.db2.gz KUIBDEOHBKVFFJ-UHFFFAOYSA-N 1 2 422.530 0.612 20 0 HCADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000608312822 1074422926 /nfs/dbraw/zinc/42/29/26/1074422926.db2.gz IVJRGRQAJGEORQ-UHFFFAOYSA-N 1 2 414.392 0.873 20 0 HCADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000608313019 1074423052 /nfs/dbraw/zinc/42/30/52/1074423052.db2.gz YUWJBKGFMILPHU-UHFFFAOYSA-N 1 2 405.503 0.581 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1nccn2ccnc12 ZINC000608352764 1074425063 /nfs/dbraw/zinc/42/50/63/1074425063.db2.gz UHUGQHSASKZXLI-UHFFFAOYSA-N 1 2 415.479 0.006 20 0 HCADLO CC[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCCC1=O ZINC000608376370 1074430887 /nfs/dbraw/zinc/43/08/87/1074430887.db2.gz UPJYTHQXTYSTBF-INIZCTEOSA-N 1 2 402.499 0.363 20 0 HCADLO CC[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)N1CCCC1=O ZINC000608376370 1074430871 /nfs/dbraw/zinc/43/08/71/1074430871.db2.gz UPJYTHQXTYSTBF-INIZCTEOSA-N 1 2 402.499 0.363 20 0 HCADLO CC[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCCC1=O ZINC000608376371 1074430745 /nfs/dbraw/zinc/43/07/45/1074430745.db2.gz UPJYTHQXTYSTBF-MRXNPFEDSA-N 1 2 402.499 0.363 20 0 HCADLO CC[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)N1CCCC1=O ZINC000608376371 1074430737 /nfs/dbraw/zinc/43/07/37/1074430737.db2.gz UPJYTHQXTYSTBF-MRXNPFEDSA-N 1 2 402.499 0.363 20 0 HCADLO C[C@@H]1C[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C(=O)N1c1cnn(C)c1 ZINC000608411352 1074440604 /nfs/dbraw/zinc/44/06/04/1074440604.db2.gz UYKFHBQDLBWSKH-ALKREAHSSA-N 1 2 422.555 0.421 20 0 HCADLO C[C@@H]1C[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C(=O)N1c1cnn(C)c1 ZINC000608411353 1074440313 /nfs/dbraw/zinc/44/03/13/1074440313.db2.gz UYKFHBQDLBWSKH-IDHHARJASA-N 1 2 422.555 0.421 20 0 HCADLO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C(=O)N1c1cnn(C)c1 ZINC000608411354 1074440342 /nfs/dbraw/zinc/44/03/42/1074440342.db2.gz UYKFHBQDLBWSKH-OGWOLHLISA-N 1 2 422.555 0.421 20 0 HCADLO C[C@@H]1C[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C(=O)N1c1cnn(C)c1 ZINC000608411355 1074440586 /nfs/dbraw/zinc/44/05/86/1074440586.db2.gz UYKFHBQDLBWSKH-SIXWZSSISA-N 1 2 422.555 0.421 20 0 HCADLO O=C(NCc1nnnn1C1CC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000608414052 1074432581 /nfs/dbraw/zinc/43/25/81/1074432581.db2.gz RPCTVLMUXCMWRQ-UHFFFAOYSA-N 1 2 401.471 0.718 20 0 HCADLO O=C(NCc1nnnn1C1CC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000608414185 1074432402 /nfs/dbraw/zinc/43/24/02/1074432402.db2.gz APTKZDODKBYXAO-UHFFFAOYSA-N 1 2 401.471 0.718 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000608415432 1074432375 /nfs/dbraw/zinc/43/23/75/1074432375.db2.gz FCCWRXMAQFZPDP-UHFFFAOYSA-N 1 2 419.507 0.847 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000608473684 1074441406 /nfs/dbraw/zinc/44/14/06/1074441406.db2.gz VCVNCMCXOFMPEN-WMLDXEAASA-N 1 2 409.508 0.489 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000608473685 1074441212 /nfs/dbraw/zinc/44/12/12/1074441212.db2.gz VCVNCMCXOFMPEN-YOEHRIQHSA-N 1 2 409.508 0.489 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000608474540 1074442185 /nfs/dbraw/zinc/44/21/85/1074442185.db2.gz CCGYSXKOWQSPOR-MAUKXSAKSA-N 1 2 423.535 0.879 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000608474541 1074442137 /nfs/dbraw/zinc/44/21/37/1074442137.db2.gz CCGYSXKOWQSPOR-YJBOKZPZSA-N 1 2 423.535 0.879 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000608477547 1074442961 /nfs/dbraw/zinc/44/29/61/1074442961.db2.gz DNBFTARBNQHJQY-DOXZYTNZSA-N 1 2 423.535 0.735 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000608477548 1074443032 /nfs/dbraw/zinc/44/30/32/1074443032.db2.gz DNBFTARBNQHJQY-VCBZYWHSSA-N 1 2 423.535 0.735 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000608477549 1074442894 /nfs/dbraw/zinc/44/28/94/1074442894.db2.gz DNBFTARBNQHJQY-YZVOILCLSA-N 1 2 423.535 0.735 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000608477550 1074442852 /nfs/dbraw/zinc/44/28/52/1074442852.db2.gz DNBFTARBNQHJQY-ZRGWGRIASA-N 1 2 423.535 0.735 20 0 HCADLO COc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1-n1cnnn1 ZINC000608516854 1074452328 /nfs/dbraw/zinc/45/23/28/1074452328.db2.gz YIFCJXQCLVGQBC-UHFFFAOYSA-N 1 2 407.434 0.741 20 0 HCADLO Cc1cc(CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)[nH]n1 ZINC000608521145 1074461649 /nfs/dbraw/zinc/46/16/49/1074461649.db2.gz MWAJEUZYQWOHGD-UHFFFAOYSA-N 1 2 400.483 0.599 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCCC(C)(C)CO)CC1 ZINC000608522127 1074462232 /nfs/dbraw/zinc/46/22/32/1074462232.db2.gz KIMANYXTIXQFLL-UHFFFAOYSA-N 1 2 404.511 0.928 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CCC[C@H](O)C2)CC1 ZINC000608522220 1074462370 /nfs/dbraw/zinc/46/23/70/1074462370.db2.gz DNRRVQZCYCAYSY-HOTGVXAUSA-N 1 2 402.495 0.680 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000608522221 1074462475 /nfs/dbraw/zinc/46/24/75/1074462475.db2.gz DNRRVQZCYCAYSY-HZPDHXFCSA-N 1 2 402.495 0.680 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CCC[C@@H](O)C2)CC1 ZINC000608522222 1074462387 /nfs/dbraw/zinc/46/23/87/1074462387.db2.gz DNRRVQZCYCAYSY-JKSUJKDBSA-N 1 2 402.495 0.680 20 0 HCADLO C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608523645 1074463155 /nfs/dbraw/zinc/46/31/55/1074463155.db2.gz NAONNRXIUNPDDM-HNNXBMFYSA-N 1 2 404.511 0.926 20 0 HCADLO C[C@@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608523646 1074463081 /nfs/dbraw/zinc/46/30/81/1074463081.db2.gz NAONNRXIUNPDDM-OAHLLOKOSA-N 1 2 404.511 0.926 20 0 HCADLO COCCOC[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608531545 1074454103 /nfs/dbraw/zinc/45/41/03/1074454103.db2.gz YWPZMJVWIHZNGM-HNNXBMFYSA-N 1 2 406.483 0.180 20 0 HCADLO COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608531549 1074454227 /nfs/dbraw/zinc/45/42/27/1074454227.db2.gz YWPZMJVWIHZNGM-OAHLLOKOSA-N 1 2 406.483 0.180 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCc3nnnn3C3CC3)cc2)CC1 ZINC000608543390 1074456656 /nfs/dbraw/zinc/45/66/56/1074456656.db2.gz TZUWEFSJDCFKOK-UHFFFAOYSA-N 1 2 412.498 0.400 20 0 HCADLO Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608546868 1074457863 /nfs/dbraw/zinc/45/78/63/1074457863.db2.gz TUBAOXUSOWDYLK-UHFFFAOYSA-N 1 2 412.494 0.679 20 0 HCADLO CCC[C@@H](CCO)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608549918 1074472911 /nfs/dbraw/zinc/47/29/11/1074472911.db2.gz SYVLMDJAPGKWHU-INIZCTEOSA-N 1 2 404.511 0.928 20 0 HCADLO CCC[C@H](CCO)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608549919 1074472877 /nfs/dbraw/zinc/47/28/77/1074472877.db2.gz SYVLMDJAPGKWHU-MRXNPFEDSA-N 1 2 404.511 0.928 20 0 HCADLO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C(=O)N1c1cnn(C)c1 ZINC000608554467 1074467260 /nfs/dbraw/zinc/46/72/60/1074467260.db2.gz UGRNRQBOBWWJEE-CXAGYDPISA-N 1 2 407.434 0.855 20 0 HCADLO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C(=O)N1c1cnn(C)c1 ZINC000608554468 1074467360 /nfs/dbraw/zinc/46/73/60/1074467360.db2.gz UGRNRQBOBWWJEE-DYVFJYSZSA-N 1 2 407.434 0.855 20 0 HCADLO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C(=O)N1c1cnn(C)c1 ZINC000608554469 1074467268 /nfs/dbraw/zinc/46/72/68/1074467268.db2.gz UGRNRQBOBWWJEE-GUYCJALGSA-N 1 2 407.434 0.855 20 0 HCADLO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C(=O)N1c1cnn(C)c1 ZINC000608554470 1074467286 /nfs/dbraw/zinc/46/72/86/1074467286.db2.gz UGRNRQBOBWWJEE-SUMWQHHRSA-N 1 2 407.434 0.855 20 0 HCADLO COCC(=O)NC1CC[NH+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000608560478 1074470351 /nfs/dbraw/zinc/47/03/51/1074470351.db2.gz KFIJAHAEKHNFDP-AWEZNQCLSA-N 1 2 408.474 0.346 20 0 HCADLO COCC(=O)NC1CC[NH+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000608560479 1074470504 /nfs/dbraw/zinc/47/05/04/1074470504.db2.gz KFIJAHAEKHNFDP-CQSZACIVSA-N 1 2 408.474 0.346 20 0 HCADLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000608562002 1074471105 /nfs/dbraw/zinc/47/11/05/1074471105.db2.gz HTRNRUUMQYXBPI-BZSNNMDCSA-N 1 2 410.540 0.715 20 0 HCADLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000608562003 1074471017 /nfs/dbraw/zinc/47/10/17/1074471017.db2.gz HTRNRUUMQYXBPI-KSZLIROESA-N 1 2 410.540 0.715 20 0 HCADLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000608562004 1074471009 /nfs/dbraw/zinc/47/10/09/1074471009.db2.gz HTRNRUUMQYXBPI-OKZBNKHCSA-N 1 2 410.540 0.715 20 0 HCADLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000608562005 1074471113 /nfs/dbraw/zinc/47/11/13/1074471113.db2.gz HTRNRUUMQYXBPI-RCCFBDPRSA-N 1 2 410.540 0.715 20 0 HCADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nnn(C2CC2)c1C(F)(F)F ZINC000608587735 1074475080 /nfs/dbraw/zinc/47/50/80/1074475080.db2.gz XAADTWIOBQXPPF-LLVKDONJSA-N 1 2 416.404 0.295 20 0 HCADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nnn(C2CC2)c1C(F)(F)F ZINC000608587739 1074475134 /nfs/dbraw/zinc/47/51/34/1074475134.db2.gz XAADTWIOBQXPPF-NSHDSACASA-N 1 2 416.404 0.295 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000608626076 1074479507 /nfs/dbraw/zinc/47/95/07/1074479507.db2.gz YWIQZHAMYSUOED-GOSISDBHSA-N 1 2 410.540 0.742 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000608626077 1074480188 /nfs/dbraw/zinc/48/01/88/1074480188.db2.gz YWIQZHAMYSUOED-SFHVURJKSA-N 1 2 410.540 0.742 20 0 HCADLO CS(=O)(=O)NC1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000608628631 1074480147 /nfs/dbraw/zinc/48/01/47/1074480147.db2.gz PRVOVUUNBDKEOO-INIZCTEOSA-N 1 2 402.561 0.745 20 0 HCADLO CS(=O)(=O)NC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000608628632 1074480249 /nfs/dbraw/zinc/48/02/49/1074480249.db2.gz PRVOVUUNBDKEOO-MRXNPFEDSA-N 1 2 402.561 0.745 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000608679845 1074484960 /nfs/dbraw/zinc/48/49/60/1074484960.db2.gz LMXCAADANQJAPO-DLBZAZTESA-N 1 2 401.511 0.870 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000608679850 1074484604 /nfs/dbraw/zinc/48/46/04/1074484604.db2.gz LMXCAADANQJAPO-IAGOWNOFSA-N 1 2 401.511 0.870 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000608679852 1074485050 /nfs/dbraw/zinc/48/50/50/1074485050.db2.gz LMXCAADANQJAPO-IRXDYDNUSA-N 1 2 401.511 0.870 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000608679853 1074484761 /nfs/dbraw/zinc/48/47/61/1074484761.db2.gz LMXCAADANQJAPO-SJORKVTESA-N 1 2 401.511 0.870 20 0 HCADLO C[C@@H]1CC(=O)NCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000608681386 1074484986 /nfs/dbraw/zinc/48/49/86/1074484986.db2.gz XJROAQLQXNHHQM-CVEARBPZSA-N 1 2 417.514 0.202 20 0 HCADLO C[C@@H]1CC(=O)NCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000608681386 1074484980 /nfs/dbraw/zinc/48/49/80/1074484980.db2.gz XJROAQLQXNHHQM-CVEARBPZSA-N 1 2 417.514 0.202 20 0 HCADLO C[C@H]1CC(=O)NCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000608681392 1074484863 /nfs/dbraw/zinc/48/48/63/1074484863.db2.gz XJROAQLQXNHHQM-HOTGVXAUSA-N 1 2 417.514 0.202 20 0 HCADLO C[C@H]1CC(=O)NCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000608681392 1074484855 /nfs/dbraw/zinc/48/48/55/1074484855.db2.gz XJROAQLQXNHHQM-HOTGVXAUSA-N 1 2 417.514 0.202 20 0 HCADLO C[C@@H]1CC(=O)NCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000608681394 1074484565 /nfs/dbraw/zinc/48/45/65/1074484565.db2.gz XJROAQLQXNHHQM-HZPDHXFCSA-N 1 2 417.514 0.202 20 0 HCADLO C[C@@H]1CC(=O)NCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000608681394 1074484551 /nfs/dbraw/zinc/48/45/51/1074484551.db2.gz XJROAQLQXNHHQM-HZPDHXFCSA-N 1 2 417.514 0.202 20 0 HCADLO C[C@H]1CC(=O)NCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000608681395 1074484920 /nfs/dbraw/zinc/48/49/20/1074484920.db2.gz XJROAQLQXNHHQM-JKSUJKDBSA-N 1 2 417.514 0.202 20 0 HCADLO C[C@H]1CC(=O)NCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000608681395 1074484914 /nfs/dbraw/zinc/48/49/14/1074484914.db2.gz XJROAQLQXNHHQM-JKSUJKDBSA-N 1 2 417.514 0.202 20 0 HCADLO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000608686364 1074482599 /nfs/dbraw/zinc/48/25/99/1074482599.db2.gz WSHRJVDTBVKXEY-AWEZNQCLSA-N 1 2 400.476 0.479 20 0 HCADLO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000608686366 1074482660 /nfs/dbraw/zinc/48/26/60/1074482660.db2.gz WSHRJVDTBVKXEY-CQSZACIVSA-N 1 2 400.476 0.479 20 0 HCADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000608726228 1074493894 /nfs/dbraw/zinc/49/38/94/1074493894.db2.gz BPOHSTCKEUMYEN-GOSISDBHSA-N 1 2 424.505 0.836 20 0 HCADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000608726229 1074493698 /nfs/dbraw/zinc/49/36/98/1074493698.db2.gz BPOHSTCKEUMYEN-SFHVURJKSA-N 1 2 424.505 0.836 20 0 HCADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 ZINC000608726752 1074493802 /nfs/dbraw/zinc/49/38/02/1074493802.db2.gz HFRYESDBDSOZBU-KRWDZBQOSA-N 1 2 423.481 0.244 20 0 HCADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 ZINC000608726753 1074494058 /nfs/dbraw/zinc/49/40/58/1074494058.db2.gz HFRYESDBDSOZBU-QGZVFWFLSA-N 1 2 423.481 0.244 20 0 HCADLO CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608729420 1074493741 /nfs/dbraw/zinc/49/37/41/1074493741.db2.gz UDQBDFNXLUGLTI-KRWDZBQOSA-N 1 2 420.539 0.838 20 0 HCADLO CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608729424 1074493673 /nfs/dbraw/zinc/49/36/73/1074493673.db2.gz UDQBDFNXLUGLTI-QGZVFWFLSA-N 1 2 420.539 0.838 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000608793479 1074507641 /nfs/dbraw/zinc/50/76/41/1074507641.db2.gz SSYNLFIDHRYBOP-UHFFFAOYSA-N 1 2 406.483 0.751 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000608793479 1074507638 /nfs/dbraw/zinc/50/76/38/1074507638.db2.gz SSYNLFIDHRYBOP-UHFFFAOYSA-N 1 2 406.483 0.751 20 0 HCADLO COC(=O)CCn1c(=O)c2ccccc2nc1SC[C@@H](O)C[NH+]1CCOCC1 ZINC000608866091 1074513363 /nfs/dbraw/zinc/51/33/63/1074513363.db2.gz DBTULUGZDFLJLY-AWEZNQCLSA-N 1 2 407.492 0.745 20 0 HCADLO COC(=O)CCn1c(=O)c2ccccc2nc1SC[C@H](O)C[NH+]1CCOCC1 ZINC000608866092 1074513324 /nfs/dbraw/zinc/51/33/24/1074513324.db2.gz DBTULUGZDFLJLY-CQSZACIVSA-N 1 2 407.492 0.745 20 0 HCADLO COC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609165302 1077407558 /nfs/dbraw/zinc/40/75/58/1077407558.db2.gz SWZKWGKOILAGID-GOSISDBHSA-N 1 2 403.479 0.369 20 0 HCADLO COC(=O)COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000609165398 1077408260 /nfs/dbraw/zinc/40/82/60/1077408260.db2.gz PQIMRHYDMBVDQG-INIZCTEOSA-N 1 2 419.478 0.666 20 0 HCADLO COC(=O)COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000609165402 1077408322 /nfs/dbraw/zinc/40/83/22/1077408322.db2.gz PQIMRHYDMBVDQG-MRXNPFEDSA-N 1 2 419.478 0.666 20 0 HCADLO CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609166661 1077417558 /nfs/dbraw/zinc/41/75/58/1077417558.db2.gz IWQSVTFHNDAILH-MOPGFXCFSA-N 1 2 417.506 0.458 20 0 HCADLO CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609166664 1077418138 /nfs/dbraw/zinc/41/81/38/1077418138.db2.gz IWQSVTFHNDAILH-OALUTQOASA-N 1 2 417.506 0.458 20 0 HCADLO CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609166665 1077417777 /nfs/dbraw/zinc/41/77/77/1077417777.db2.gz IWQSVTFHNDAILH-RBUKOAKNSA-N 1 2 417.506 0.458 20 0 HCADLO CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609166666 1077417981 /nfs/dbraw/zinc/41/79/81/1077417981.db2.gz IWQSVTFHNDAILH-RTBURBONSA-N 1 2 417.506 0.458 20 0 HCADLO COC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609167495 1077409791 /nfs/dbraw/zinc/40/97/91/1077409791.db2.gz YZRSREUJHGQHSD-IBGZPJMESA-N 1 2 417.506 0.759 20 0 HCADLO COC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609167496 1077409820 /nfs/dbraw/zinc/40/98/20/1077409820.db2.gz YZRSREUJHGQHSD-LJQANCHMSA-N 1 2 417.506 0.759 20 0 HCADLO COC(=O)CCc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000609184372 1077450359 /nfs/dbraw/zinc/45/03/59/1077450359.db2.gz AEIOEZQCQAQVSF-KRWDZBQOSA-N 1 2 403.479 0.911 20 0 HCADLO COC(=O)CCc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000609184373 1077450255 /nfs/dbraw/zinc/45/02/55/1077450255.db2.gz AEIOEZQCQAQVSF-QGZVFWFLSA-N 1 2 403.479 0.911 20 0 HCADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)[C@H](C)[NH+]3CCOCC3)cc2)[nH]1 ZINC000609191019 1077516850 /nfs/dbraw/zinc/51/68/50/1077516850.db2.gz UOSFKWPHZUCNQC-CABCVRRESA-N 1 2 416.478 0.720 20 0 HCADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)cc2)[nH]1 ZINC000609191020 1077517100 /nfs/dbraw/zinc/51/71/00/1077517100.db2.gz UOSFKWPHZUCNQC-GJZGRUSLSA-N 1 2 416.478 0.720 20 0 HCADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]3CCOCC3)cc2)[nH]1 ZINC000609191021 1077516889 /nfs/dbraw/zinc/51/68/89/1077516889.db2.gz UOSFKWPHZUCNQC-HUUCEWRRSA-N 1 2 416.478 0.720 20 0 HCADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)cc2)[nH]1 ZINC000609191022 1077516791 /nfs/dbraw/zinc/51/67/91/1077516791.db2.gz UOSFKWPHZUCNQC-LSDHHAIUSA-N 1 2 416.478 0.720 20 0 HCADLO COC(=O)c1cccc(OCC[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000609204212 1077539278 /nfs/dbraw/zinc/53/92/78/1077539278.db2.gz YALRANCAXRNBAG-UHFFFAOYSA-N 1 2 403.435 0.145 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000609205916 1077540336 /nfs/dbraw/zinc/54/03/36/1077540336.db2.gz JAYPDWVRNAUNQY-CABCVRRESA-N 1 2 406.483 0.749 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000609205917 1077540229 /nfs/dbraw/zinc/54/02/29/1077540229.db2.gz JAYPDWVRNAUNQY-GJZGRUSLSA-N 1 2 406.483 0.749 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000609205918 1077540290 /nfs/dbraw/zinc/54/02/90/1077540290.db2.gz JAYPDWVRNAUNQY-HUUCEWRRSA-N 1 2 406.483 0.749 20 0 HCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000609205919 1077540184 /nfs/dbraw/zinc/54/01/84/1077540184.db2.gz JAYPDWVRNAUNQY-LSDHHAIUSA-N 1 2 406.483 0.749 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)nc1 ZINC000609213533 1077646356 /nfs/dbraw/zinc/64/63/56/1077646356.db2.gz SZLOXXLYRRIIPM-INIZCTEOSA-N 1 2 405.499 0.811 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)nc1 ZINC000609213533 1077646351 /nfs/dbraw/zinc/64/63/51/1077646351.db2.gz SZLOXXLYRRIIPM-INIZCTEOSA-N 1 2 405.499 0.811 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)nc1 ZINC000609213534 1077646383 /nfs/dbraw/zinc/64/63/83/1077646383.db2.gz SZLOXXLYRRIIPM-MRXNPFEDSA-N 1 2 405.499 0.811 20 0 HCADLO CCOC(=O)c1ccc(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)nc1 ZINC000609213534 1077646381 /nfs/dbraw/zinc/64/63/81/1077646381.db2.gz SZLOXXLYRRIIPM-MRXNPFEDSA-N 1 2 405.499 0.811 20 0 HCADLO COC(=O)CC[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000609266777 1078337826 /nfs/dbraw/zinc/33/78/26/1078337826.db2.gz BMGSRWQJPOTKBI-MOPGFXCFSA-N 1 2 417.506 0.978 20 0 HCADLO COC(=O)CC[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000609266778 1078337966 /nfs/dbraw/zinc/33/79/66/1078337966.db2.gz BMGSRWQJPOTKBI-OALUTQOASA-N 1 2 417.506 0.978 20 0 HCADLO COC(=O)CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000609266779 1078337906 /nfs/dbraw/zinc/33/79/06/1078337906.db2.gz BMGSRWQJPOTKBI-RBUKOAKNSA-N 1 2 417.506 0.978 20 0 HCADLO COC(=O)CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000609266780 1078337864 /nfs/dbraw/zinc/33/78/64/1078337864.db2.gz BMGSRWQJPOTKBI-RTBURBONSA-N 1 2 417.506 0.978 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+](C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000609284358 1078568571 /nfs/dbraw/zinc/56/85/71/1078568571.db2.gz QMPNNOPTWOJVJG-LMMKCTJWSA-N 1 2 406.527 0.850 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+](C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000609284359 1078568365 /nfs/dbraw/zinc/56/83/65/1078568365.db2.gz QMPNNOPTWOJVJG-LNLFQRSKSA-N 1 2 406.527 0.850 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+](C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000609284360 1078568540 /nfs/dbraw/zinc/56/85/40/1078568540.db2.gz QMPNNOPTWOJVJG-SCTDSRPQSA-N 1 2 406.527 0.850 20 0 HCADLO CCOC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000609284361 1078568331 /nfs/dbraw/zinc/56/83/31/1078568331.db2.gz QMPNNOPTWOJVJG-ZIFCJYIRSA-N 1 2 406.527 0.850 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000609288662 1078658614 /nfs/dbraw/zinc/65/86/14/1078658614.db2.gz BGIGEPOGBNPQSZ-KRWDZBQOSA-N 1 2 420.558 0.663 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000609288664 1078658534 /nfs/dbraw/zinc/65/85/34/1078658534.db2.gz BGIGEPOGBNPQSZ-QGZVFWFLSA-N 1 2 420.558 0.663 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000609289301 1078660345 /nfs/dbraw/zinc/66/03/45/1078660345.db2.gz ZQSVKKFRFDTYOH-DOTOQJQBSA-N 1 2 409.556 0.816 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000609289307 1078660223 /nfs/dbraw/zinc/66/02/23/1078660223.db2.gz ZQSVKKFRFDTYOH-NVXWUHKLSA-N 1 2 409.556 0.816 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000609289308 1078660302 /nfs/dbraw/zinc/66/03/02/1078660302.db2.gz ZQSVKKFRFDTYOH-RDJZCZTQSA-N 1 2 409.556 0.816 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000609289309 1078660121 /nfs/dbraw/zinc/66/01/21/1078660121.db2.gz ZQSVKKFRFDTYOH-WBVHZDCISA-N 1 2 409.556 0.816 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000609290053 1078665289 /nfs/dbraw/zinc/66/52/89/1078665289.db2.gz IPNGWAMXROJZOV-DOTOQJQBSA-N 1 2 409.556 0.816 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000609290054 1078665310 /nfs/dbraw/zinc/66/53/10/1078665310.db2.gz IPNGWAMXROJZOV-NVXWUHKLSA-N 1 2 409.556 0.816 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000609290055 1078665420 /nfs/dbraw/zinc/66/54/20/1078665420.db2.gz IPNGWAMXROJZOV-RDJZCZTQSA-N 1 2 409.556 0.816 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000609290056 1078665382 /nfs/dbraw/zinc/66/53/82/1078665382.db2.gz IPNGWAMXROJZOV-WBVHZDCISA-N 1 2 409.556 0.816 20 0 HCADLO CCCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)CC1 ZINC000609290128 1078660791 /nfs/dbraw/zinc/66/07/91/1078660791.db2.gz BMLZMUOMFSMJAQ-GOSISDBHSA-N 1 2 415.604 0.612 20 0 HCADLO CCCS(=O)(=O)N1CCC(NC(=O)N2CC[C@H]([NH+]3CCN(CC)CC3)C2)CC1 ZINC000609290129 1078660940 /nfs/dbraw/zinc/66/09/40/1078660940.db2.gz BMLZMUOMFSMJAQ-SFHVURJKSA-N 1 2 415.604 0.612 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)CC1 ZINC000609290152 1078661252 /nfs/dbraw/zinc/66/12/52/1078661252.db2.gz DJQMFJCPFTZKOI-KRWDZBQOSA-N 1 2 415.604 0.660 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)CC1 ZINC000609290153 1078661384 /nfs/dbraw/zinc/66/13/84/1078661384.db2.gz DJQMFJCPFTZKOI-QGZVFWFLSA-N 1 2 415.604 0.660 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000609290350 1078677158 /nfs/dbraw/zinc/67/71/58/1078677158.db2.gz KITSTAZWYZDGMZ-KRWDZBQOSA-N 1 2 409.556 0.386 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000609290351 1078677236 /nfs/dbraw/zinc/67/72/36/1078677236.db2.gz KITSTAZWYZDGMZ-QGZVFWFLSA-N 1 2 409.556 0.386 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)C2)CC1 ZINC000609290451 1078697173 /nfs/dbraw/zinc/69/71/73/1078697173.db2.gz SKQXDHIDNOXEHP-GOSISDBHSA-N 1 2 423.583 0.858 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)C2)CC1 ZINC000609290452 1078697254 /nfs/dbraw/zinc/69/72/54/1078697254.db2.gz SKQXDHIDNOXEHP-SFHVURJKSA-N 1 2 423.583 0.858 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)CC1 ZINC000609290627 1078694526 /nfs/dbraw/zinc/69/45/26/1078694526.db2.gz SGNDKDGNKUNMIA-GOSISDBHSA-N 1 2 423.583 0.695 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)CC1 ZINC000609290628 1078694478 /nfs/dbraw/zinc/69/44/78/1078694478.db2.gz SGNDKDGNKUNMIA-SFHVURJKSA-N 1 2 423.583 0.695 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)C2)CC1 ZINC000609290669 1078695276 /nfs/dbraw/zinc/69/52/76/1078695276.db2.gz ZZUPGOBDWZNQOU-IBGZPJMESA-N 1 2 423.583 0.657 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)C2)CC1 ZINC000609290670 1078695306 /nfs/dbraw/zinc/69/53/06/1078695306.db2.gz ZZUPGOBDWZNQOU-LJQANCHMSA-N 1 2 423.583 0.657 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cccc(OCC(=O)NC)c3)C2)CC1 ZINC000609290840 1078690921 /nfs/dbraw/zinc/69/09/21/1078690921.db2.gz DJTWSGYJSHUZFV-GOSISDBHSA-N 1 2 403.527 0.733 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3cccc(OCC(=O)NC)c3)C2)CC1 ZINC000609290841 1078691170 /nfs/dbraw/zinc/69/11/70/1078691170.db2.gz DJTWSGYJSHUZFV-SFHVURJKSA-N 1 2 403.527 0.733 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3cccc(S(=O)(=O)NC)c3)C2)CC1 ZINC000609291335 1078756256 /nfs/dbraw/zinc/75/62/56/1078756256.db2.gz RWXZKZPMJDYCOI-KRWDZBQOSA-N 1 2 409.556 0.516 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cccc(S(=O)(=O)NC)c3)C2)CC1 ZINC000609291336 1078756395 /nfs/dbraw/zinc/75/63/95/1078756395.db2.gz RWXZKZPMJDYCOI-QGZVFWFLSA-N 1 2 409.556 0.516 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000609292248 1078719458 /nfs/dbraw/zinc/71/94/58/1078719458.db2.gz JFNCJNUKBSGJFW-IBGZPJMESA-N 1 2 405.518 0.906 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000609292249 1078719403 /nfs/dbraw/zinc/71/94/03/1078719403.db2.gz JFNCJNUKBSGJFW-LJQANCHMSA-N 1 2 405.518 0.906 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC(=O)N(C)CCc3ccccn3)C2)CC1 ZINC000609292973 1078768749 /nfs/dbraw/zinc/76/87/49/1078768749.db2.gz FOQBDMCTELFDQW-IBGZPJMESA-N 1 2 402.543 0.504 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC(=O)N(C)CCc3ccccn3)C2)CC1 ZINC000609292974 1078768724 /nfs/dbraw/zinc/76/87/24/1078768724.db2.gz FOQBDMCTELFDQW-LJQANCHMSA-N 1 2 402.543 0.504 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(OCC(N)=O)c(OC)c3)C2)CC1 ZINC000609293100 1078754609 /nfs/dbraw/zinc/75/46/09/1078754609.db2.gz WNRRBPWSRQISNM-KRWDZBQOSA-N 1 2 419.526 0.481 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(OCC(N)=O)c(OC)c3)C2)CC1 ZINC000609293108 1078754786 /nfs/dbraw/zinc/75/47/86/1078754786.db2.gz WNRRBPWSRQISNM-QGZVFWFLSA-N 1 2 419.526 0.481 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000609293273 1078764023 /nfs/dbraw/zinc/76/40/23/1078764023.db2.gz ZKZOMNPHJJHDTE-KRWDZBQOSA-N 1 2 405.547 0.193 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000609293281 1078754148 /nfs/dbraw/zinc/75/41/48/1078754148.db2.gz ZKZOMNPHJJHDTE-QGZVFWFLSA-N 1 2 405.547 0.193 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCOc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000609293666 1078791485 /nfs/dbraw/zinc/79/14/85/1078791485.db2.gz UKDRXJFWKBIKRV-KRWDZBQOSA-N 1 2 424.567 0.890 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCOc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000609293667 1078791699 /nfs/dbraw/zinc/79/16/99/1078791699.db2.gz UKDRXJFWKBIKRV-QGZVFWFLSA-N 1 2 424.567 0.890 20 0 HCADLO COC(=O)C1CCC(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000609295454 1078840803 /nfs/dbraw/zinc/84/08/03/1078840803.db2.gz VNXYREMVIICZAA-UHFFFAOYSA-N 1 2 401.471 0.927 20 0 HCADLO COC(=O)c1ccc2c(c1)CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000609308620 1079096424 /nfs/dbraw/zinc/09/64/24/1079096424.db2.gz OFWIDVPXJMWZEJ-GOSISDBHSA-N 1 2 401.463 0.496 20 0 HCADLO COC(=O)c1ccc2c(c1)CN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000609308621 1079096349 /nfs/dbraw/zinc/09/63/49/1079096349.db2.gz OFWIDVPXJMWZEJ-SFHVURJKSA-N 1 2 401.463 0.496 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)C2)CC1 ZINC000609309546 1079111547 /nfs/dbraw/zinc/11/15/47/1079111547.db2.gz GQFPOUNGVRVNLU-KRWDZBQOSA-N 1 2 405.543 0.822 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)C2)CC1 ZINC000609309549 1079111581 /nfs/dbraw/zinc/11/15/81/1079111581.db2.gz GQFPOUNGVRVNLU-QGZVFWFLSA-N 1 2 405.543 0.822 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)C2)CC1 ZINC000609310808 1079116662 /nfs/dbraw/zinc/11/66/62/1079116662.db2.gz OCLOTSHDMNXPNX-CBGDNZLLSA-N 1 2 405.543 0.726 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)C2)CC1 ZINC000609310809 1079116710 /nfs/dbraw/zinc/11/67/10/1079116710.db2.gz OCLOTSHDMNXPNX-CSODHUTKSA-N 1 2 405.543 0.726 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)C2)CC1 ZINC000609310810 1079116700 /nfs/dbraw/zinc/11/67/00/1079116700.db2.gz OCLOTSHDMNXPNX-FVJLSDCUSA-N 1 2 405.543 0.726 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)C2)CC1 ZINC000609310811 1079116670 /nfs/dbraw/zinc/11/66/70/1079116670.db2.gz OCLOTSHDMNXPNX-LZJOCLMNSA-N 1 2 405.543 0.726 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000609310965 1079119667 /nfs/dbraw/zinc/11/96/67/1079119667.db2.gz YNAUVYPAPBCOPZ-KRWDZBQOSA-N 1 2 413.522 0.990 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000609310969 1079119589 /nfs/dbraw/zinc/11/95/89/1079119589.db2.gz YNAUVYPAPBCOPZ-QGZVFWFLSA-N 1 2 413.522 0.990 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CCNS(=O)(=O)c3cccs3)C2)CC1 ZINC000609311773 1079124897 /nfs/dbraw/zinc/12/48/97/1079124897.db2.gz SPYKOGBDKJQNPW-HNNXBMFYSA-N 1 2 400.570 0.655 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CCNS(=O)(=O)c3cccs3)C2)CC1 ZINC000609311779 1079124911 /nfs/dbraw/zinc/12/49/11/1079124911.db2.gz SPYKOGBDKJQNPW-OAHLLOKOSA-N 1 2 400.570 0.655 20 0 HCADLO CSC[C@H](C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000609311858 1079125327 /nfs/dbraw/zinc/12/53/27/1079125327.db2.gz ZERSRYOHWVXHAT-LTIDMASMSA-N 1 2 410.584 0.645 20 0 HCADLO CSC[C@H](C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609311859 1079125245 /nfs/dbraw/zinc/12/52/45/1079125245.db2.gz ZERSRYOHWVXHAT-MWDXBVQZSA-N 1 2 410.584 0.645 20 0 HCADLO CSC[C@H](C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000609311860 1079125310 /nfs/dbraw/zinc/12/53/10/1079125310.db2.gz ZERSRYOHWVXHAT-QBPKDAKJSA-N 1 2 410.584 0.645 20 0 HCADLO CSC[C@H](C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609311861 1079125233 /nfs/dbraw/zinc/12/52/33/1079125233.db2.gz ZERSRYOHWVXHAT-WCXIOVBPSA-N 1 2 410.584 0.645 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CNC(=O)c3ccc(OC)c(OC)c3)C2)CC1 ZINC000609321314 1079213798 /nfs/dbraw/zinc/21/37/98/1079213798.db2.gz CWZGQIVOINCSMA-KRWDZBQOSA-N 1 2 404.511 0.672 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CNC(=O)c3ccc(OC)c(OC)c3)C2)CC1 ZINC000609321315 1079213631 /nfs/dbraw/zinc/21/36/31/1079213631.db2.gz CWZGQIVOINCSMA-QGZVFWFLSA-N 1 2 404.511 0.672 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CNC(=O)c3cc(OC)cc(OC)c3)C2)CC1 ZINC000609321780 1079214079 /nfs/dbraw/zinc/21/40/79/1079214079.db2.gz WPQIEESJELOXAY-KRWDZBQOSA-N 1 2 404.511 0.672 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CNC(=O)c3cc(OC)cc(OC)c3)C2)CC1 ZINC000609321781 1079214169 /nfs/dbraw/zinc/21/41/69/1079214169.db2.gz WPQIEESJELOXAY-QGZVFWFLSA-N 1 2 404.511 0.672 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C(C)=O)cc3)C2)CC1 ZINC000609321797 1079214011 /nfs/dbraw/zinc/21/40/11/1079214011.db2.gz XKHIOGJHSAFKAY-GOSISDBHSA-N 1 2 422.551 0.406 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C(C)=O)cc3)C2)CC1 ZINC000609321799 1079214060 /nfs/dbraw/zinc/21/40/60/1079214060.db2.gz XKHIOGJHSAFKAY-SFHVURJKSA-N 1 2 422.551 0.406 20 0 HCADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)o1 ZINC000609351561 1079248412 /nfs/dbraw/zinc/24/84/12/1079248412.db2.gz JEORSGBKQYHOBU-UHFFFAOYSA-N 1 2 421.475 0.932 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000609440328 1079267931 /nfs/dbraw/zinc/26/79/31/1079267931.db2.gz GYFPXELOAJMZJO-UHFFFAOYSA-N 1 2 401.471 0.953 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000609440483 1079262389 /nfs/dbraw/zinc/26/23/89/1079262389.db2.gz SXMMPVQKGPQPJT-CYBMUJFWSA-N 1 2 401.471 0.953 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000609440483 1079262379 /nfs/dbraw/zinc/26/23/79/1079262379.db2.gz SXMMPVQKGPQPJT-CYBMUJFWSA-N 1 2 401.471 0.953 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000609440484 1079262337 /nfs/dbraw/zinc/26/23/37/1079262337.db2.gz SXMMPVQKGPQPJT-ZDUSSCGKSA-N 1 2 401.471 0.953 20 0 HCADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000609440484 1079262320 /nfs/dbraw/zinc/26/23/20/1079262320.db2.gz SXMMPVQKGPQPJT-ZDUSSCGKSA-N 1 2 401.471 0.953 20 0 HCADLO CC(C)(C)NC(=O)NC(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609479634 1079273412 /nfs/dbraw/zinc/27/34/12/1079273412.db2.gz PESIPUXYQFDXMX-OAHLLOKOSA-N 1 2 401.471 0.871 20 0 HCADLO CC(C)(C)NC(=O)NC(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609479634 1079273403 /nfs/dbraw/zinc/27/34/03/1079273403.db2.gz PESIPUXYQFDXMX-OAHLLOKOSA-N 1 2 401.471 0.871 20 0 HCADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000609487454 1079274084 /nfs/dbraw/zinc/27/40/84/1079274084.db2.gz MBEHZBSEZCVHFT-UHFFFAOYSA-N 1 2 411.524 0.796 20 0 HCADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000609488921 1079275305 /nfs/dbraw/zinc/27/53/05/1079275305.db2.gz TULOSKGSFRNMQT-UHFFFAOYSA-N 1 2 419.503 0.825 20 0 HCADLO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000609489011 1079275539 /nfs/dbraw/zinc/27/55/39/1079275539.db2.gz XZGQIPRPJFVDKF-UHFFFAOYSA-N 1 2 420.491 0.956 20 0 HCADLO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000609495461 1079276679 /nfs/dbraw/zinc/27/66/79/1079276679.db2.gz LWAJPBANNVLAHZ-HNNXBMFYSA-N 1 2 412.512 0.088 20 0 HCADLO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000609495461 1079276675 /nfs/dbraw/zinc/27/66/75/1079276675.db2.gz LWAJPBANNVLAHZ-HNNXBMFYSA-N 1 2 412.512 0.088 20 0 HCADLO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000609495462 1079276622 /nfs/dbraw/zinc/27/66/22/1079276622.db2.gz LWAJPBANNVLAHZ-OAHLLOKOSA-N 1 2 412.512 0.088 20 0 HCADLO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000609495462 1079276614 /nfs/dbraw/zinc/27/66/14/1079276614.db2.gz LWAJPBANNVLAHZ-OAHLLOKOSA-N 1 2 412.512 0.088 20 0 HCADLO COC(=O)Cc1csc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000609502119 1079277649 /nfs/dbraw/zinc/27/76/49/1079277649.db2.gz OQYJCBBIVALUNZ-AWEZNQCLSA-N 1 2 410.496 0.510 20 0 HCADLO COC(=O)Cc1csc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000609502122 1079277559 /nfs/dbraw/zinc/27/75/59/1079277559.db2.gz OQYJCBBIVALUNZ-CQSZACIVSA-N 1 2 410.496 0.510 20 0 HCADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000609535890 1079286166 /nfs/dbraw/zinc/28/61/66/1079286166.db2.gz JMSFPDNOZQBMKM-UHFFFAOYSA-N 1 2 403.888 0.326 20 0 HCADLO COC(=O)CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000609535940 1079285972 /nfs/dbraw/zinc/28/59/72/1079285972.db2.gz SSQUUQIYAOXVSG-UHFFFAOYSA-N 1 2 417.915 0.668 20 0 HCADLO COC(=O)CCc1nc(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)no1 ZINC000609537198 1079286538 /nfs/dbraw/zinc/28/65/38/1079286538.db2.gz CFGYJVXQWGYDBU-HNNXBMFYSA-N 1 2 413.438 0.784 20 0 HCADLO COC(=O)CCc1nc(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)no1 ZINC000609537198 1079286529 /nfs/dbraw/zinc/28/65/29/1079286529.db2.gz CFGYJVXQWGYDBU-HNNXBMFYSA-N 1 2 413.438 0.784 20 0 HCADLO COC(=O)CCc1nc(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)no1 ZINC000609537199 1079286676 /nfs/dbraw/zinc/28/66/76/1079286676.db2.gz CFGYJVXQWGYDBU-OAHLLOKOSA-N 1 2 413.438 0.784 20 0 HCADLO COC(=O)CCc1nc(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)no1 ZINC000609537199 1079286669 /nfs/dbraw/zinc/28/66/69/1079286669.db2.gz CFGYJVXQWGYDBU-OAHLLOKOSA-N 1 2 413.438 0.784 20 0 HCADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000609551729 1078482163 /nfs/dbraw/zinc/48/21/63/1078482163.db2.gz RVJAFAPQKLNRLH-HNNXBMFYSA-N 1 2 403.508 0.729 20 0 HCADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000609551730 1078482144 /nfs/dbraw/zinc/48/21/44/1078482144.db2.gz RVJAFAPQKLNRLH-OAHLLOKOSA-N 1 2 403.508 0.729 20 0 HCADLO CCOC(=O)c1c[nH+]c2ccccc2c1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000609560593 1078475479 /nfs/dbraw/zinc/47/54/79/1078475479.db2.gz ROASLSHQEFKHGQ-UHFFFAOYSA-N 1 2 406.508 0.823 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000609562731 1078476433 /nfs/dbraw/zinc/47/64/33/1078476433.db2.gz GWGMBBSXPBGUDZ-MSOLQXFVSA-N 1 2 414.554 0.786 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000609562732 1078476390 /nfs/dbraw/zinc/47/63/90/1078476390.db2.gz GWGMBBSXPBGUDZ-QZTJIDSGSA-N 1 2 414.554 0.786 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000609562733 1078476290 /nfs/dbraw/zinc/47/62/90/1078476290.db2.gz GWGMBBSXPBGUDZ-ROUUACIJSA-N 1 2 414.554 0.786 20 0 HCADLO COC(=O)c1nc2nc(C)cc(NCC[NH+]3CCN(C(=O)C4CCC4)CC3)n2n1 ZINC000609578120 1078484879 /nfs/dbraw/zinc/48/48/79/1078484879.db2.gz VVGDUXALOYPQPP-UHFFFAOYSA-N 1 2 401.471 0.576 20 0 HCADLO CCOC(=O)Cc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609611273 1078491705 /nfs/dbraw/zinc/49/17/05/1078491705.db2.gz WMICLMBGHFHKPE-KRWDZBQOSA-N 1 2 403.479 0.911 20 0 HCADLO CCOC(=O)Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609611276 1078491394 /nfs/dbraw/zinc/49/13/94/1078491394.db2.gz WMICLMBGHFHKPE-QGZVFWFLSA-N 1 2 403.479 0.911 20 0 HCADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC(n3cc[nH+]c3)C2)o1 ZINC000609624853 1078496571 /nfs/dbraw/zinc/49/65/71/1078496571.db2.gz JETLTGUJVSEWFJ-AWEZNQCLSA-N 1 2 422.463 0.889 20 0 HCADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC(n3cc[nH+]c3)C2)o1 ZINC000609624854 1078496440 /nfs/dbraw/zinc/49/64/40/1078496440.db2.gz JETLTGUJVSEWFJ-CQSZACIVSA-N 1 2 422.463 0.889 20 0 HCADLO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000609668021 1078507293 /nfs/dbraw/zinc/50/72/93/1078507293.db2.gz DNGQJGZOSUAIRX-INIZCTEOSA-N 1 2 420.510 0.378 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)CC1 ZINC000609686721 1078517144 /nfs/dbraw/zinc/51/71/44/1078517144.db2.gz ACLMEAXYAMWQEV-HNNXBMFYSA-N 1 2 413.519 0.395 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)CC1 ZINC000609686722 1078516989 /nfs/dbraw/zinc/51/69/89/1078516989.db2.gz ACLMEAXYAMWQEV-OAHLLOKOSA-N 1 2 413.519 0.395 20 0 HCADLO COC(=O)[C@H]1C[C@H](OC)CN1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000609705686 1078520983 /nfs/dbraw/zinc/52/09/83/1078520983.db2.gz WRQXSYCXQWGWAO-DLBZAZTESA-N 1 2 419.526 0.819 20 0 HCADLO COC(=O)[C@H]1C[C@@H](OC)CN1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000609705687 1078520723 /nfs/dbraw/zinc/52/07/23/1078520723.db2.gz WRQXSYCXQWGWAO-IAGOWNOFSA-N 1 2 419.526 0.819 20 0 HCADLO COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000609705688 1078520912 /nfs/dbraw/zinc/52/09/12/1078520912.db2.gz WRQXSYCXQWGWAO-IRXDYDNUSA-N 1 2 419.526 0.819 20 0 HCADLO COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000609705690 1078520601 /nfs/dbraw/zinc/52/06/01/1078520601.db2.gz WRQXSYCXQWGWAO-SJORKVTESA-N 1 2 419.526 0.819 20 0 HCADLO CCOC(=O)CCCS(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000609707420 1078521304 /nfs/dbraw/zinc/52/13/04/1078521304.db2.gz OQOVPZHKKXGPJC-UHFFFAOYSA-N 1 2 412.512 0.383 20 0 HCADLO C[S@](=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000609742692 1078526992 /nfs/dbraw/zinc/52/69/92/1078526992.db2.gz RYCCAPFUNQETBH-HBIPHATFSA-N 1 2 410.544 0.350 20 0 HCADLO C[S@](=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000609742692 1078526982 /nfs/dbraw/zinc/52/69/82/1078526982.db2.gz RYCCAPFUNQETBH-HBIPHATFSA-N 1 2 410.544 0.350 20 0 HCADLO C[S@](=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000609742693 1078526845 /nfs/dbraw/zinc/52/68/45/1078526845.db2.gz RYCCAPFUNQETBH-JMGYQRAPSA-N 1 2 410.544 0.350 20 0 HCADLO C[S@](=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000609742693 1078526833 /nfs/dbraw/zinc/52/68/33/1078526833.db2.gz RYCCAPFUNQETBH-JMGYQRAPSA-N 1 2 410.544 0.350 20 0 HCADLO C[S@@](=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000609742694 1078526888 /nfs/dbraw/zinc/52/68/88/1078526888.db2.gz RYCCAPFUNQETBH-OHZJNBGDSA-N 1 2 410.544 0.350 20 0 HCADLO C[S@@](=O)CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000609742694 1078526876 /nfs/dbraw/zinc/52/68/76/1078526876.db2.gz RYCCAPFUNQETBH-OHZJNBGDSA-N 1 2 410.544 0.350 20 0 HCADLO C[S@@](=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000609742695 1078526965 /nfs/dbraw/zinc/52/69/65/1078526965.db2.gz RYCCAPFUNQETBH-WQIZZMQYSA-N 1 2 410.544 0.350 20 0 HCADLO C[S@@](=O)CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000609742695 1078526958 /nfs/dbraw/zinc/52/69/58/1078526958.db2.gz RYCCAPFUNQETBH-WQIZZMQYSA-N 1 2 410.544 0.350 20 0 HCADLO COC[C@@H](C)NC(=O)NC(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750274 1078531814 /nfs/dbraw/zinc/53/18/14/1078531814.db2.gz AUJGCQNUVWGNQX-GDBMZVCRSA-N 1 2 417.470 0.107 20 0 HCADLO COC[C@@H](C)NC(=O)NC(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750274 1078531803 /nfs/dbraw/zinc/53/18/03/1078531803.db2.gz AUJGCQNUVWGNQX-GDBMZVCRSA-N 1 2 417.470 0.107 20 0 HCADLO COC[C@H](C)NC(=O)NC(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750277 1078531914 /nfs/dbraw/zinc/53/19/14/1078531914.db2.gz AUJGCQNUVWGNQX-GOEBONIOSA-N 1 2 417.470 0.107 20 0 HCADLO COC[C@H](C)NC(=O)NC(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750277 1078531901 /nfs/dbraw/zinc/53/19/01/1078531901.db2.gz AUJGCQNUVWGNQX-GOEBONIOSA-N 1 2 417.470 0.107 20 0 HCADLO COC[C@H](C)NC(=O)NC(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750279 1078531778 /nfs/dbraw/zinc/53/17/78/1078531778.db2.gz AUJGCQNUVWGNQX-HOCLYGCPSA-N 1 2 417.470 0.107 20 0 HCADLO COC[C@H](C)NC(=O)NC(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750279 1078531772 /nfs/dbraw/zinc/53/17/72/1078531772.db2.gz AUJGCQNUVWGNQX-HOCLYGCPSA-N 1 2 417.470 0.107 20 0 HCADLO COC[C@@H](C)NC(=O)NC(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750281 1078532787 /nfs/dbraw/zinc/53/27/87/1078532787.db2.gz AUJGCQNUVWGNQX-ZBFHGGJFSA-N 1 2 417.470 0.107 20 0 HCADLO COC[C@@H](C)NC(=O)NC(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750281 1078532767 /nfs/dbraw/zinc/53/27/67/1078532767.db2.gz AUJGCQNUVWGNQX-ZBFHGGJFSA-N 1 2 417.470 0.107 20 0 HCADLO CC(C)CNC(=O)NC(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750357 1078532119 /nfs/dbraw/zinc/53/21/19/1078532119.db2.gz GFUVKMNKZPAOAI-INIZCTEOSA-N 1 2 401.471 0.728 20 0 HCADLO CC(C)CNC(=O)NC(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750357 1078532101 /nfs/dbraw/zinc/53/21/01/1078532101.db2.gz GFUVKMNKZPAOAI-INIZCTEOSA-N 1 2 401.471 0.728 20 0 HCADLO CCCCNC(=O)NC(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609750378 1078531979 /nfs/dbraw/zinc/53/19/79/1078531979.db2.gz GQLLEYQETFHCGB-MRXNPFEDSA-N 1 2 401.471 0.873 20 0 HCADLO CCCCNC(=O)NC(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609750378 1078531963 /nfs/dbraw/zinc/53/19/63/1078531963.db2.gz GQLLEYQETFHCGB-MRXNPFEDSA-N 1 2 401.471 0.873 20 0 HCADLO Cc1nnc2n1C[C@H](CNC(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)CC2 ZINC000609754628 1078536701 /nfs/dbraw/zinc/53/67/01/1078536701.db2.gz WHGMJTXTFMPOAV-AWEZNQCLSA-N 1 2 410.486 0.357 20 0 HCADLO Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)CC2 ZINC000609754629 1078536583 /nfs/dbraw/zinc/53/65/83/1078536583.db2.gz WHGMJTXTFMPOAV-CQSZACIVSA-N 1 2 410.486 0.357 20 0 HCADLO CSCC[C@@H](NC(N)=O)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000609767612 1078535662 /nfs/dbraw/zinc/53/56/62/1078535662.db2.gz FWABIOWAEFTURV-DOTOQJQBSA-N 1 2 410.540 0.361 20 0 HCADLO CSCC[C@@H](NC(N)=O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000609767613 1078535455 /nfs/dbraw/zinc/53/54/55/1078535455.db2.gz FWABIOWAEFTURV-NVXWUHKLSA-N 1 2 410.540 0.361 20 0 HCADLO CSCC[C@H](NC(N)=O)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000609767614 1078535494 /nfs/dbraw/zinc/53/54/94/1078535494.db2.gz FWABIOWAEFTURV-RDJZCZTQSA-N 1 2 410.540 0.361 20 0 HCADLO CSCC[C@H](NC(N)=O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000609767615 1078535625 /nfs/dbraw/zinc/53/56/25/1078535625.db2.gz FWABIOWAEFTURV-WBVHZDCISA-N 1 2 410.540 0.361 20 0 HCADLO CCOC(=O)CN(C)C(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609782616 1078541362 /nfs/dbraw/zinc/54/13/62/1078541362.db2.gz OVMXASUCCGHXFH-INIZCTEOSA-N 1 2 402.455 0.268 20 0 HCADLO CCOC(=O)CN(C)C(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609782616 1078541346 /nfs/dbraw/zinc/54/13/46/1078541346.db2.gz OVMXASUCCGHXFH-INIZCTEOSA-N 1 2 402.455 0.268 20 0 HCADLO CCOC(=O)CN(C)C(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000609782617 1078541475 /nfs/dbraw/zinc/54/14/75/1078541475.db2.gz OVMXASUCCGHXFH-MRXNPFEDSA-N 1 2 402.455 0.268 20 0 HCADLO CCOC(=O)CN(C)C(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000609782617 1078541462 /nfs/dbraw/zinc/54/14/62/1078541462.db2.gz OVMXASUCCGHXFH-MRXNPFEDSA-N 1 2 402.455 0.268 20 0 HCADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609792397 1078542938 /nfs/dbraw/zinc/54/29/38/1078542938.db2.gz KXZRGWDMDPEUEB-PBHICJAKSA-N 1 2 406.458 0.226 20 0 HCADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609792398 1078542741 /nfs/dbraw/zinc/54/27/41/1078542741.db2.gz KXZRGWDMDPEUEB-RHSMWYFYSA-N 1 2 406.458 0.226 20 0 HCADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609792399 1078542921 /nfs/dbraw/zinc/54/29/21/1078542921.db2.gz KXZRGWDMDPEUEB-WMLDXEAASA-N 1 2 406.458 0.226 20 0 HCADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609792400 1078542720 /nfs/dbraw/zinc/54/27/20/1078542720.db2.gz KXZRGWDMDPEUEB-YOEHRIQHSA-N 1 2 406.458 0.226 20 0 HCADLO CC(C)(C)OC(=O)C1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000609795962 1078538259 /nfs/dbraw/zinc/53/82/59/1078538259.db2.gz JQPUKSKUOJSXMA-INIZCTEOSA-N 1 2 409.527 0.938 20 0 HCADLO CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000609795965 1078538342 /nfs/dbraw/zinc/53/83/42/1078538342.db2.gz JQPUKSKUOJSXMA-MRXNPFEDSA-N 1 2 409.527 0.938 20 0 HCADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000609801211 1078538678 /nfs/dbraw/zinc/53/86/78/1078538678.db2.gz BBVNRGLTHMYNNM-GOSISDBHSA-N 1 2 402.495 0.852 20 0 HCADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000609801212 1078539274 /nfs/dbraw/zinc/53/92/74/1078539274.db2.gz BBVNRGLTHMYNNM-SFHVURJKSA-N 1 2 402.495 0.852 20 0 HCADLO CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000609807087 1078540574 /nfs/dbraw/zinc/54/05/74/1078540574.db2.gz YMVVVLDFBJUSMJ-KRWDZBQOSA-N 1 2 402.495 0.709 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000609807088 1078540636 /nfs/dbraw/zinc/54/06/36/1078540636.db2.gz YMVVVLDFBJUSMJ-QGZVFWFLSA-N 1 2 402.495 0.709 20 0 HCADLO O=C(CSCC(=O)c1ccccc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609836007 1078544329 /nfs/dbraw/zinc/54/43/29/1078544329.db2.gz DMVAPTPWCQMETE-KRWDZBQOSA-N 1 2 405.520 0.652 20 0 HCADLO O=C(CSCC(=O)c1ccccc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609836008 1078544984 /nfs/dbraw/zinc/54/49/84/1078544984.db2.gz DMVAPTPWCQMETE-QGZVFWFLSA-N 1 2 405.520 0.652 20 0 HCADLO Cc1[nH]c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)c1C(=O)OC(C)C ZINC000609836026 1078549222 /nfs/dbraw/zinc/54/92/22/1078549222.db2.gz FOTVDRSESIQSFU-INIZCTEOSA-N 1 2 420.510 0.860 20 0 HCADLO Cc1[nH]c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)c1C(=O)OC(C)C ZINC000609836027 1078548975 /nfs/dbraw/zinc/54/89/75/1078548975.db2.gz FOTVDRSESIQSFU-MRXNPFEDSA-N 1 2 420.510 0.860 20 0 HCADLO COC(=O)c1ccc(CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000609880699 1078557838 /nfs/dbraw/zinc/55/78/38/1078557838.db2.gz IBKAFBVHTBVQLC-GOSISDBHSA-N 1 2 403.479 0.455 20 0 HCADLO COC(=O)c1ccc(CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000609880700 1078557845 /nfs/dbraw/zinc/55/78/45/1078557845.db2.gz IBKAFBVHTBVQLC-SFHVURJKSA-N 1 2 403.479 0.455 20 0 HCADLO CSC[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000609903057 1078559390 /nfs/dbraw/zinc/55/93/90/1078559390.db2.gz RVOMFZKPSUQYLV-CQSZACIVSA-N 1 2 401.558 0.584 20 0 HCADLO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000609920603 1078566108 /nfs/dbraw/zinc/56/61/08/1078566108.db2.gz UEOQKENQOHDIRR-INIZCTEOSA-N 1 2 412.531 0.540 20 0 HCADLO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000609920603 1078566102 /nfs/dbraw/zinc/56/61/02/1078566102.db2.gz UEOQKENQOHDIRR-INIZCTEOSA-N 1 2 412.531 0.540 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000609920604 1078566174 /nfs/dbraw/zinc/56/61/74/1078566174.db2.gz UEOQKENQOHDIRR-MRXNPFEDSA-N 1 2 412.531 0.540 20 0 HCADLO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000609920604 1078566170 /nfs/dbraw/zinc/56/61/70/1078566170.db2.gz UEOQKENQOHDIRR-MRXNPFEDSA-N 1 2 412.531 0.540 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000609941740 1078564020 /nfs/dbraw/zinc/56/40/20/1078564020.db2.gz HWLWJENLPNEOJY-GDLZYMKVSA-N 1 2 422.551 0.765 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000609941740 1078564015 /nfs/dbraw/zinc/56/40/15/1078564015.db2.gz HWLWJENLPNEOJY-GDLZYMKVSA-N 1 2 422.551 0.765 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc([S@](C)=O)c2)CC1 ZINC000609941741 1078564135 /nfs/dbraw/zinc/56/41/35/1078564135.db2.gz HWLWJENLPNEOJY-LJAQVGFWSA-N 1 2 422.551 0.765 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc([S@](C)=O)c2)CC1 ZINC000609941741 1078564130 /nfs/dbraw/zinc/56/41/30/1078564130.db2.gz HWLWJENLPNEOJY-LJAQVGFWSA-N 1 2 422.551 0.765 20 0 HCADLO COC(=O)CCCCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000609950015 1078567917 /nfs/dbraw/zinc/56/79/17/1078567917.db2.gz ANLGPTLIYJBZKM-UHFFFAOYSA-N 1 2 418.494 0.862 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000609952321 1078569837 /nfs/dbraw/zinc/56/98/37/1078569837.db2.gz YIJMXVLHHMBRLM-UHFFFAOYSA-N 1 2 404.467 0.471 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCSCCCO)CC1 ZINC000609954718 1078570751 /nfs/dbraw/zinc/57/07/51/1078570751.db2.gz LXHUUDMUPJZICG-UHFFFAOYSA-N 1 2 408.524 0.245 20 0 HCADLO C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000609959170 1078575784 /nfs/dbraw/zinc/57/57/84/1078575784.db2.gz LCXUKEZPMHXIJO-MJSDIWTKSA-N 1 2 420.535 0.381 20 0 HCADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000609959171 1078575606 /nfs/dbraw/zinc/57/56/06/1078575606.db2.gz LCXUKEZPMHXIJO-WBHWENKQSA-N 1 2 420.535 0.381 20 0 HCADLO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000609959172 1078575719 /nfs/dbraw/zinc/57/57/19/1078575719.db2.gz LCXUKEZPMHXIJO-NXRFCRFCSA-N 1 2 420.535 0.381 20 0 HCADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000609959173 1078575880 /nfs/dbraw/zinc/57/58/80/1078575880.db2.gz LCXUKEZPMHXIJO-YSVMAZNTSA-N 1 2 420.535 0.381 20 0 HCADLO COC(=O)CSCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000609984660 1078582791 /nfs/dbraw/zinc/58/27/91/1078582791.db2.gz VUQGJDYFMNCKEU-UHFFFAOYSA-N 1 2 409.512 0.258 20 0 HCADLO COC(=O)CSCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000609984660 1078582784 /nfs/dbraw/zinc/58/27/84/1078582784.db2.gz VUQGJDYFMNCKEU-UHFFFAOYSA-N 1 2 409.512 0.258 20 0 HCADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCOCC3)cc2)[nH]1 ZINC000609996615 1078586096 /nfs/dbraw/zinc/58/60/96/1078586096.db2.gz FBANBYJCHCCBQX-OAHLLOKOSA-N 1 2 416.478 0.579 20 0 HCADLO CCOC(=O)Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000609998357 1078586676 /nfs/dbraw/zinc/58/66/76/1078586676.db2.gz HLOGMXHCKCVVFZ-KRWDZBQOSA-N 1 2 403.479 0.911 20 0 HCADLO CCOC(=O)Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000609998358 1078586521 /nfs/dbraw/zinc/58/65/21/1078586521.db2.gz HLOGMXHCKCVVFZ-QGZVFWFLSA-N 1 2 403.479 0.911 20 0 HCADLO COC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC000610004033 1078590144 /nfs/dbraw/zinc/59/01/44/1078590144.db2.gz SHBHOHJWAUSSQA-UHFFFAOYSA-N 1 2 412.450 0.457 20 0 HCADLO COC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC000610004033 1078590137 /nfs/dbraw/zinc/59/01/37/1078590137.db2.gz SHBHOHJWAUSSQA-UHFFFAOYSA-N 1 2 412.450 0.457 20 0 HCADLO COC(=O)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000610004059 1078590031 /nfs/dbraw/zinc/59/00/31/1078590031.db2.gz UOLLYVGRGNMMRL-UHFFFAOYSA-N 1 2 412.450 0.457 20 0 HCADLO COC(=O)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000610004059 1078590023 /nfs/dbraw/zinc/59/00/23/1078590023.db2.gz UOLLYVGRGNMMRL-UHFFFAOYSA-N 1 2 412.450 0.457 20 0 HCADLO CC(C)(C)NC(=O)NC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000610004986 1078589948 /nfs/dbraw/zinc/58/99/48/1078589948.db2.gz YNLWEIAITYGRJC-UHFFFAOYSA-N 1 2 405.503 0.060 20 0 HCADLO COC(=O)CCOc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000610007060 1078591173 /nfs/dbraw/zinc/59/11/73/1078591173.db2.gz IGVVCVKCOSZOLH-HNNXBMFYSA-N 1 2 400.497 0.875 20 0 HCADLO COC(=O)CCOc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000610007061 1078591323 /nfs/dbraw/zinc/59/13/23/1078591323.db2.gz IGVVCVKCOSZOLH-OAHLLOKOSA-N 1 2 400.497 0.875 20 0 HCADLO COC(=O)CSCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000610014464 1078595220 /nfs/dbraw/zinc/59/52/20/1078595220.db2.gz SFLDSTXVWKVMGR-UHFFFAOYSA-N 1 2 424.527 0.051 20 0 HCADLO COC(=O)CSCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000610014464 1078595212 /nfs/dbraw/zinc/59/52/12/1078595212.db2.gz SFLDSTXVWKVMGR-UHFFFAOYSA-N 1 2 424.527 0.051 20 0 HCADLO CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000610025593 1078596892 /nfs/dbraw/zinc/59/68/92/1078596892.db2.gz HFEZEWOYVHBKOT-BEFAXECRSA-N 1 2 424.571 0.695 20 0 HCADLO CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000610025593 1078596884 /nfs/dbraw/zinc/59/68/84/1078596884.db2.gz HFEZEWOYVHBKOT-BEFAXECRSA-N 1 2 424.571 0.695 20 0 HCADLO CSC[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000610025732 1078596811 /nfs/dbraw/zinc/59/68/11/1078596811.db2.gz HFEZEWOYVHBKOT-DNVCBOLYSA-N 1 2 424.571 0.695 20 0 HCADLO CSC[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000610025732 1078596799 /nfs/dbraw/zinc/59/67/99/1078596799.db2.gz HFEZEWOYVHBKOT-DNVCBOLYSA-N 1 2 424.571 0.695 20 0 HCADLO CSC[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000610025733 1078596957 /nfs/dbraw/zinc/59/69/57/1078596957.db2.gz HFEZEWOYVHBKOT-HNAYVOBHSA-N 1 2 424.571 0.695 20 0 HCADLO CSC[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000610025733 1078596953 /nfs/dbraw/zinc/59/69/53/1078596953.db2.gz HFEZEWOYVHBKOT-HNAYVOBHSA-N 1 2 424.571 0.695 20 0 HCADLO CSC[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000610025734 1078596938 /nfs/dbraw/zinc/59/69/38/1078596938.db2.gz HFEZEWOYVHBKOT-KXBFYZLASA-N 1 2 424.571 0.695 20 0 HCADLO CSC[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000610025734 1078596933 /nfs/dbraw/zinc/59/69/33/1078596933.db2.gz HFEZEWOYVHBKOT-KXBFYZLASA-N 1 2 424.571 0.695 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)CSC)cc2)CC1 ZINC000610032268 1078602282 /nfs/dbraw/zinc/60/22/82/1078602282.db2.gz WMPNDLUUHXSSHF-FQEVSTJZSA-N 1 2 408.568 0.993 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)CSC)cc2)CC1 ZINC000610032270 1078602330 /nfs/dbraw/zinc/60/23/30/1078602330.db2.gz WMPNDLUUHXSSHF-HXUWFJFHSA-N 1 2 408.568 0.993 20 0 HCADLO CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000610032777 1078601546 /nfs/dbraw/zinc/60/15/46/1078601546.db2.gz YCCIZEXQIKFRJK-IBGZPJMESA-N 1 2 408.524 0.243 20 0 HCADLO CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000610032783 1078601416 /nfs/dbraw/zinc/60/14/16/1078601416.db2.gz YCCIZEXQIKFRJK-LJQANCHMSA-N 1 2 408.524 0.243 20 0 HCADLO COC(=O)c1ccc(=O)n(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000610033947 1078602297 /nfs/dbraw/zinc/60/22/97/1078602297.db2.gz AKDQHXSGNNQRAR-UHFFFAOYSA-N 1 2 414.466 0.601 20 0 HCADLO CS[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000610060179 1078610087 /nfs/dbraw/zinc/61/00/87/1078610087.db2.gz HHJRNSWSXOSGMZ-KRWDZBQOSA-N 1 2 412.581 0.727 20 0 HCADLO CS[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000610060180 1078610100 /nfs/dbraw/zinc/61/01/00/1078610100.db2.gz HHJRNSWSXOSGMZ-QGZVFWFLSA-N 1 2 412.581 0.727 20 0 HCADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)cn2c1 ZINC000610060562 1078609370 /nfs/dbraw/zinc/60/93/70/1078609370.db2.gz FNPMBEHDGCFRLO-AWEZNQCLSA-N 1 2 411.553 0.908 20 0 HCADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)cn2c1 ZINC000610060563 1078609480 /nfs/dbraw/zinc/60/94/80/1078609480.db2.gz FNPMBEHDGCFRLO-CQSZACIVSA-N 1 2 411.553 0.908 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1OC ZINC000610085682 1078620456 /nfs/dbraw/zinc/62/04/56/1078620456.db2.gz HIUWKPLITKQWRS-UHFFFAOYSA-N 1 2 413.496 0.313 20 0 HCADLO CS[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000610100715 1078628642 /nfs/dbraw/zinc/62/86/42/1078628642.db2.gz PNGYWFJHMOUCCX-ARFHVFGLSA-N 1 2 424.571 0.694 20 0 HCADLO CS[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000610100715 1078628638 /nfs/dbraw/zinc/62/86/38/1078628638.db2.gz PNGYWFJHMOUCCX-ARFHVFGLSA-N 1 2 424.571 0.694 20 0 HCADLO CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000610100716 1078628594 /nfs/dbraw/zinc/62/85/94/1078628594.db2.gz PNGYWFJHMOUCCX-BZUAXINKSA-N 1 2 424.571 0.694 20 0 HCADLO CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000610100716 1078628585 /nfs/dbraw/zinc/62/85/85/1078628585.db2.gz PNGYWFJHMOUCCX-BZUAXINKSA-N 1 2 424.571 0.694 20 0 HCADLO CS[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000610100717 1078628493 /nfs/dbraw/zinc/62/84/93/1078628493.db2.gz PNGYWFJHMOUCCX-HRCADAONSA-N 1 2 424.571 0.694 20 0 HCADLO CS[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000610100717 1078628485 /nfs/dbraw/zinc/62/84/85/1078628485.db2.gz PNGYWFJHMOUCCX-HRCADAONSA-N 1 2 424.571 0.694 20 0 HCADLO CS[C@H](CO)[C@@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000610100718 1078628666 /nfs/dbraw/zinc/62/86/66/1078628666.db2.gz PNGYWFJHMOUCCX-OWCLPIDISA-N 1 2 424.571 0.694 20 0 HCADLO CS[C@H](CO)[C@@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000610100718 1078628662 /nfs/dbraw/zinc/62/86/62/1078628662.db2.gz PNGYWFJHMOUCCX-OWCLPIDISA-N 1 2 424.571 0.694 20 0 HCADLO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000610113751 1078624645 /nfs/dbraw/zinc/62/46/45/1078624645.db2.gz UPKSQODGSSQJPE-GOSISDBHSA-N 1 2 416.551 0.974 20 0 HCADLO CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000610113752 1078624715 /nfs/dbraw/zinc/62/47/15/1078624715.db2.gz UPKSQODGSSQJPE-SFHVURJKSA-N 1 2 416.551 0.974 20 0 HCADLO COC(=O)c1ccc(=O)n(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)n1 ZINC000610150933 1078631093 /nfs/dbraw/zinc/63/10/93/1078631093.db2.gz OCNMTWFCOUTENX-UHFFFAOYSA-N 1 2 412.446 0.309 20 0 HCADLO CC(C)(C)OC(=O)CSCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610158526 1078638232 /nfs/dbraw/zinc/63/82/32/1078638232.db2.gz QEXNMNUCWJSWIS-AWEZNQCLSA-N 1 2 401.529 0.111 20 0 HCADLO CC(C)(C)OC(=O)CSCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610158527 1078638144 /nfs/dbraw/zinc/63/81/44/1078638144.db2.gz QEXNMNUCWJSWIS-CQSZACIVSA-N 1 2 401.529 0.111 20 0 HCADLO CCOC(=O)c1c(F)cccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000615338936 1078658967 /nfs/dbraw/zinc/65/89/67/1078658967.db2.gz AZULEWKAFZGNFB-CYBMUJFWSA-N 1 2 411.430 0.092 20 0 HCADLO CCOC(=O)c1c(F)cccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000615338937 1078658925 /nfs/dbraw/zinc/65/89/25/1078658925.db2.gz AZULEWKAFZGNFB-ZDUSSCGKSA-N 1 2 411.430 0.092 20 0 HCADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1Cl ZINC000615338939 1078658828 /nfs/dbraw/zinc/65/88/28/1078658828.db2.gz BWFUPDHOWFHESP-CYBMUJFWSA-N 1 2 413.858 0.217 20 0 HCADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1Cl ZINC000615338940 1078658934 /nfs/dbraw/zinc/65/89/34/1078658934.db2.gz BWFUPDHOWFHESP-ZDUSSCGKSA-N 1 2 413.858 0.217 20 0 HCADLO CC(C)[C@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C)[NH+]1CCOCC1 ZINC000615361340 1078659991 /nfs/dbraw/zinc/65/99/91/1078659991.db2.gz VIRNMKCMVBMEBA-INIZCTEOSA-N 1 2 415.494 0.998 20 0 HCADLO CC(C)[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C)[NH+]1CCOCC1 ZINC000615361341 1078660058 /nfs/dbraw/zinc/66/00/58/1078660058.db2.gz VIRNMKCMVBMEBA-MRXNPFEDSA-N 1 2 415.494 0.998 20 0 HCADLO C[C@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000615390595 1078663078 /nfs/dbraw/zinc/66/30/78/1078663078.db2.gz QDQSNQIVAUXUHK-GMYLUUGSSA-N 1 2 408.524 0.238 20 0 HCADLO C[C@@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000615390598 1078663066 /nfs/dbraw/zinc/66/30/66/1078663066.db2.gz QDQSNQIVAUXUHK-HJFSHJIFSA-N 1 2 408.524 0.238 20 0 HCADLO C[C@@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000615390600 1078663131 /nfs/dbraw/zinc/66/31/31/1078663131.db2.gz QDQSNQIVAUXUHK-POXGOYDTSA-N 1 2 408.524 0.238 20 0 HCADLO C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000615390601 1078663038 /nfs/dbraw/zinc/66/30/38/1078663038.db2.gz QDQSNQIVAUXUHK-SUMNFNSASA-N 1 2 408.524 0.238 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000615394567 1078664128 /nfs/dbraw/zinc/66/41/28/1078664128.db2.gz KBDHMRHZPUWVML-GFCCVEGCSA-N 1 2 404.423 0.052 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000615394567 1078664125 /nfs/dbraw/zinc/66/41/25/1078664125.db2.gz KBDHMRHZPUWVML-GFCCVEGCSA-N 1 2 404.423 0.052 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000615394569 1078664143 /nfs/dbraw/zinc/66/41/43/1078664143.db2.gz KBDHMRHZPUWVML-LBPRGKRZSA-N 1 2 404.423 0.052 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000615394569 1078664139 /nfs/dbraw/zinc/66/41/39/1078664139.db2.gz KBDHMRHZPUWVML-LBPRGKRZSA-N 1 2 404.423 0.052 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[C@H](C)C1 ZINC000615394604 1078664157 /nfs/dbraw/zinc/66/41/57/1078664157.db2.gz RUXUVSCDRUPDJC-GDBMZVCRSA-N 1 2 407.471 0.096 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[C@H](C)C1 ZINC000615394604 1078664152 /nfs/dbraw/zinc/66/41/52/1078664152.db2.gz RUXUVSCDRUPDJC-GDBMZVCRSA-N 1 2 407.471 0.096 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[C@@H](C)C1 ZINC000615394606 1078664227 /nfs/dbraw/zinc/66/42/27/1078664227.db2.gz RUXUVSCDRUPDJC-GOEBONIOSA-N 1 2 407.471 0.096 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[C@@H](C)C1 ZINC000615394606 1078664223 /nfs/dbraw/zinc/66/42/23/1078664223.db2.gz RUXUVSCDRUPDJC-GOEBONIOSA-N 1 2 407.471 0.096 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[C@@H](C)C1 ZINC000615394608 1078664274 /nfs/dbraw/zinc/66/42/74/1078664274.db2.gz RUXUVSCDRUPDJC-HOCLYGCPSA-N 1 2 407.471 0.096 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[C@@H](C)C1 ZINC000615394608 1078664272 /nfs/dbraw/zinc/66/42/72/1078664272.db2.gz RUXUVSCDRUPDJC-HOCLYGCPSA-N 1 2 407.471 0.096 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[C@H](C)C1 ZINC000615394609 1078664196 /nfs/dbraw/zinc/66/41/96/1078664196.db2.gz RUXUVSCDRUPDJC-ZBFHGGJFSA-N 1 2 407.471 0.096 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[C@H](C)C1 ZINC000615394609 1078664192 /nfs/dbraw/zinc/66/41/92/1078664192.db2.gz RUXUVSCDRUPDJC-ZBFHGGJFSA-N 1 2 407.471 0.096 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2C(=O)OC)[C@H](C)C1 ZINC000615395259 1078663596 /nfs/dbraw/zinc/66/35/96/1078663596.db2.gz APCOVVQSZKBPLC-CYBMUJFWSA-N 1 2 421.450 0.516 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2C(=O)OC)[C@H](C)C1 ZINC000615395259 1078663592 /nfs/dbraw/zinc/66/35/92/1078663592.db2.gz APCOVVQSZKBPLC-CYBMUJFWSA-N 1 2 421.450 0.516 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2C(=O)OC)[C@@H](C)C1 ZINC000615395260 1078663747 /nfs/dbraw/zinc/66/37/47/1078663747.db2.gz APCOVVQSZKBPLC-ZDUSSCGKSA-N 1 2 421.450 0.516 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2C(=O)OC)[C@@H](C)C1 ZINC000615395260 1078663743 /nfs/dbraw/zinc/66/37/43/1078663743.db2.gz APCOVVQSZKBPLC-ZDUSSCGKSA-N 1 2 421.450 0.516 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000615395263 1078663793 /nfs/dbraw/zinc/66/37/93/1078663793.db2.gz BPXIYZDUMPRMFU-AWEZNQCLSA-N 1 2 405.451 0.882 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000615395263 1078663791 /nfs/dbraw/zinc/66/37/91/1078663791.db2.gz BPXIYZDUMPRMFU-AWEZNQCLSA-N 1 2 405.451 0.882 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000615395264 1078663759 /nfs/dbraw/zinc/66/37/59/1078663759.db2.gz BPXIYZDUMPRMFU-CQSZACIVSA-N 1 2 405.451 0.882 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000615395264 1078663755 /nfs/dbraw/zinc/66/37/55/1078663755.db2.gz BPXIYZDUMPRMFU-CQSZACIVSA-N 1 2 405.451 0.882 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)[C@@H](C)C1 ZINC000615395265 1078663683 /nfs/dbraw/zinc/66/36/83/1078663683.db2.gz DNNDEVWIJZMIJP-AWEZNQCLSA-N 1 2 400.439 0.302 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)[C@@H](C)C1 ZINC000615395265 1078663679 /nfs/dbraw/zinc/66/36/79/1078663679.db2.gz DNNDEVWIJZMIJP-AWEZNQCLSA-N 1 2 400.439 0.302 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)[C@H](C)C1 ZINC000615395266 1078663645 /nfs/dbraw/zinc/66/36/45/1078663645.db2.gz DNNDEVWIJZMIJP-CQSZACIVSA-N 1 2 400.439 0.302 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)[C@H](C)C1 ZINC000615395266 1078663641 /nfs/dbraw/zinc/66/36/41/1078663641.db2.gz DNNDEVWIJZMIJP-CQSZACIVSA-N 1 2 400.439 0.302 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)[C@H](C)C1 ZINC000615395281 1078663698 /nfs/dbraw/zinc/66/36/98/1078663698.db2.gz SCWJQKJEKPSEGC-CYBMUJFWSA-N 1 2 402.451 0.007 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)[C@H](C)C1 ZINC000615395281 1078663694 /nfs/dbraw/zinc/66/36/94/1078663694.db2.gz SCWJQKJEKPSEGC-CYBMUJFWSA-N 1 2 402.451 0.007 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)[C@@H](C)C1 ZINC000615395282 1078664115 /nfs/dbraw/zinc/66/41/15/1078664115.db2.gz SCWJQKJEKPSEGC-ZDUSSCGKSA-N 1 2 402.451 0.007 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)[C@@H](C)C1 ZINC000615395282 1078664113 /nfs/dbraw/zinc/66/41/13/1078664113.db2.gz SCWJQKJEKPSEGC-ZDUSSCGKSA-N 1 2 402.451 0.007 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2scc(C(=O)OC)c2C)[C@H](C)C1 ZINC000615395795 1078664215 /nfs/dbraw/zinc/66/42/15/1078664215.db2.gz APJRQFWVFYRCEG-LLVKDONJSA-N 1 2 411.480 0.877 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2scc(C(=O)OC)c2C)[C@H](C)C1 ZINC000615395795 1078664211 /nfs/dbraw/zinc/66/42/11/1078664211.db2.gz APJRQFWVFYRCEG-LLVKDONJSA-N 1 2 411.480 0.877 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2scc(C(=O)OC)c2C)[C@@H](C)C1 ZINC000615395796 1078664258 /nfs/dbraw/zinc/66/42/58/1078664258.db2.gz APJRQFWVFYRCEG-NSHDSACASA-N 1 2 411.480 0.877 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2scc(C(=O)OC)c2C)[C@@H](C)C1 ZINC000615395796 1078664256 /nfs/dbraw/zinc/66/42/56/1078664256.db2.gz APJRQFWVFYRCEG-NSHDSACASA-N 1 2 411.480 0.877 20 0 HCADLO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000615395797 1078664207 /nfs/dbraw/zinc/66/42/07/1078664207.db2.gz AVCALXBQUSXLGO-AWEZNQCLSA-N 1 2 404.467 0.009 20 0 HCADLO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000615395797 1078664204 /nfs/dbraw/zinc/66/42/04/1078664204.db2.gz AVCALXBQUSXLGO-AWEZNQCLSA-N 1 2 404.467 0.009 20 0 HCADLO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000615395798 1078664248 /nfs/dbraw/zinc/66/42/48/1078664248.db2.gz AVCALXBQUSXLGO-CQSZACIVSA-N 1 2 404.467 0.009 20 0 HCADLO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000615395798 1078664246 /nfs/dbraw/zinc/66/42/46/1078664246.db2.gz AVCALXBQUSXLGO-CQSZACIVSA-N 1 2 404.467 0.009 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2C)[C@H](C)C1 ZINC000615395809 1078664909 /nfs/dbraw/zinc/66/49/09/1078664909.db2.gz LEWVWDADLSJXJP-CYBMUJFWSA-N 1 2 405.451 0.816 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2C)[C@H](C)C1 ZINC000615395809 1078664901 /nfs/dbraw/zinc/66/49/01/1078664901.db2.gz LEWVWDADLSJXJP-CYBMUJFWSA-N 1 2 405.451 0.816 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2C)[C@@H](C)C1 ZINC000615395810 1078664874 /nfs/dbraw/zinc/66/48/74/1078664874.db2.gz LEWVWDADLSJXJP-ZDUSSCGKSA-N 1 2 405.451 0.816 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2C)[C@@H](C)C1 ZINC000615395810 1078664870 /nfs/dbraw/zinc/66/48/70/1078664870.db2.gz LEWVWDADLSJXJP-ZDUSSCGKSA-N 1 2 405.451 0.816 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)[C@@H](C)C1 ZINC000615395811 1078665029 /nfs/dbraw/zinc/66/50/29/1078665029.db2.gz OFFGIWLZGKNZJK-HNNXBMFYSA-N 1 2 414.466 0.361 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)[C@@H](C)C1 ZINC000615395811 1078665025 /nfs/dbraw/zinc/66/50/25/1078665025.db2.gz OFFGIWLZGKNZJK-HNNXBMFYSA-N 1 2 414.466 0.361 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)[C@H](C)C1 ZINC000615395812 1078664966 /nfs/dbraw/zinc/66/49/66/1078664966.db2.gz OFFGIWLZGKNZJK-OAHLLOKOSA-N 1 2 414.466 0.361 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)[C@H](C)C1 ZINC000615395812 1078664960 /nfs/dbraw/zinc/66/49/60/1078664960.db2.gz OFFGIWLZGKNZJK-OAHLLOKOSA-N 1 2 414.466 0.361 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)[C@@H](C)C1 ZINC000615395823 1078665015 /nfs/dbraw/zinc/66/50/15/1078665015.db2.gz XNESCGFETPPYRI-AWEZNQCLSA-N 1 2 404.467 0.704 20 0 HCADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)[C@@H](C)C1 ZINC000615395823 1078665011 /nfs/dbraw/zinc/66/50/11/1078665011.db2.gz XNESCGFETPPYRI-AWEZNQCLSA-N 1 2 404.467 0.704 20 0 HCADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)[C@H](C)C1 ZINC000615395824 1078664992 /nfs/dbraw/zinc/66/49/92/1078664992.db2.gz XNESCGFETPPYRI-CQSZACIVSA-N 1 2 404.467 0.704 20 0 HCADLO 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CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000616016556 1078712395 /nfs/dbraw/zinc/71/23/95/1078712395.db2.gz SCVKKUQWVOIERL-KRWDZBQOSA-N 1 2 424.567 0.990 20 0 HCADLO CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000616016557 1078712480 /nfs/dbraw/zinc/71/24/80/1078712480.db2.gz SCVKKUQWVOIERL-QGZVFWFLSA-N 1 2 424.567 0.990 20 0 HCADLO NC(=O)CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000616045338 1078716580 /nfs/dbraw/zinc/71/65/80/1078716580.db2.gz FACUXBBXYLHDON-UHFFFAOYSA-N 1 2 411.510 0.686 20 0 HCADLO O=C(NCCc1nnc2n1CCCCC2)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000616053435 1078714556 /nfs/dbraw/zinc/71/45/56/1078714556.db2.gz SDNIHFJWHNADGY-UHFFFAOYSA-N 1 2 413.530 0.458 20 0 HCADLO CN(C)C(=O)c1ccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000616057026 1078714623 /nfs/dbraw/zinc/71/46/23/1078714623.db2.gz ZCPUWZOCBSZPIR-UHFFFAOYSA-N 1 2 411.510 0.800 20 0 HCADLO CCNC(=O)c1ccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000616066753 1078717625 /nfs/dbraw/zinc/71/76/25/1078717625.db2.gz QCOUHUXLWUYKBY-UHFFFAOYSA-N 1 2 411.510 0.848 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccnc(-n2cccn2)c1 ZINC000616067763 1078718208 /nfs/dbraw/zinc/71/82/08/1078718208.db2.gz ZPUMOBDBBUIEES-UHFFFAOYSA-N 1 2 407.482 0.679 20 0 HCADLO CN(C)C(=O)c1cccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000616077963 1078717180 /nfs/dbraw/zinc/71/71/80/1078717180.db2.gz JAYBXRKPQPMJRS-UHFFFAOYSA-N 1 2 411.510 0.800 20 0 HCADLO COCCOc1ccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000616085804 1080061584 /nfs/dbraw/zinc/06/15/84/1080061584.db2.gz HUXIOYXSTPDFMZ-UHFFFAOYSA-N 1 2 415.498 0.518 20 0 HCADLO COCCOc1ncccc1CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000616086439 1078717761 /nfs/dbraw/zinc/71/77/61/1078717761.db2.gz PDSIBJLRQGJBTM-UHFFFAOYSA-N 1 2 415.498 0.518 20 0 HCADLO CCOCCCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000616088610 1078717550 /nfs/dbraw/zinc/71/75/50/1078717550.db2.gz XCCQUNZKLSEDRQ-UHFFFAOYSA-N 1 2 413.544 0.649 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1nccs1 ZINC000616088631 1078717713 /nfs/dbraw/zinc/71/77/13/1078717713.db2.gz YGODNBRFNWFAPP-UHFFFAOYSA-N 1 2 410.525 0.489 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC1CCN(c2ccccn2)CC1 ZINC000616092507 1078720362 /nfs/dbraw/zinc/72/03/62/1078720362.db2.gz WYEUZSWAKKSKNB-UHFFFAOYSA-N 1 2 410.526 0.962 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000616093550 1080065217 /nfs/dbraw/zinc/06/52/17/1080065217.db2.gz CYNISZDNYAWDAF-HNNXBMFYSA-N 1 2 415.464 0.782 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000616093557 1078720248 /nfs/dbraw/zinc/72/02/48/1078720248.db2.gz CYNISZDNYAWDAF-OAHLLOKOSA-N 1 2 415.464 0.782 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1nncn1-c1ccccc1 ZINC000616094898 1078718221 /nfs/dbraw/zinc/71/82/21/1078718221.db2.gz NJEMOKQIHNBOLN-UHFFFAOYSA-N 1 2 407.482 0.679 20 0 HCADLO CN(CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)CC(F)(F)F ZINC000616098086 1078718754 /nfs/dbraw/zinc/71/87/54/1078718754.db2.gz FFOTWIUJIQXLNY-UHFFFAOYSA-N 1 2 403.453 0.782 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H](O)COc1ccccc1 ZINC000616103994 1078719299 /nfs/dbraw/zinc/71/92/99/1078719299.db2.gz HIIQHBLWEWJXQN-KRWDZBQOSA-N 1 2 400.483 0.338 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H](O)COc1ccccc1 ZINC000616103995 1078719210 /nfs/dbraw/zinc/71/92/10/1078719210.db2.gz HIIQHBLWEWJXQN-QGZVFWFLSA-N 1 2 400.483 0.338 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000616104860 1080071198 /nfs/dbraw/zinc/07/11/98/1080071198.db2.gz IKWXCSJYEQNROQ-KRWDZBQOSA-N 1 2 411.514 0.357 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000616104869 1078719248 /nfs/dbraw/zinc/71/92/48/1078719248.db2.gz IKWXCSJYEQNROQ-QGZVFWFLSA-N 1 2 411.514 0.357 20 0 HCADLO CCNC(=O)c1cccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000616107952 1078719787 /nfs/dbraw/zinc/71/97/87/1078719787.db2.gz NFTMMVXVURFVPP-UHFFFAOYSA-N 1 2 411.510 0.848 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000616108547 1078719596 /nfs/dbraw/zinc/71/95/96/1078719596.db2.gz AAEJYVRZIANALS-UHFFFAOYSA-N 1 2 423.521 0.990 20 0 HCADLO O=C(NCCOc1ccc2c(c1)OCO2)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000616108637 1078719709 /nfs/dbraw/zinc/71/97/09/1078719709.db2.gz BWQYYQCZTOPOCJ-UHFFFAOYSA-N 1 2 414.466 0.706 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(Cc2cccnc2)CC1 ZINC000616134541 1078722119 /nfs/dbraw/zinc/72/21/19/1078722119.db2.gz BMVBFPWOMVBTHZ-UHFFFAOYSA-N 1 2 410.526 0.521 20 0 HCADLO Cc1cc(CN2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)no1 ZINC000616134551 1078722074 /nfs/dbraw/zinc/72/20/74/1078722074.db2.gz CJUSTRXHONHRDS-UHFFFAOYSA-N 1 2 414.514 0.422 20 0 HCADLO CNC(=O)c1ccc(CN(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000616134618 1078721994 /nfs/dbraw/zinc/72/19/94/1078721994.db2.gz FLFUDRMIRIDSAT-UHFFFAOYSA-N 1 2 411.510 0.800 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(Cc2ccncc2)CC1 ZINC000616134656 1080076447 /nfs/dbraw/zinc/07/64/47/1080076447.db2.gz IWCZUVFWZVYIHE-UHFFFAOYSA-N 1 2 410.526 0.521 20 0 HCADLO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000616134776 1078721982 /nfs/dbraw/zinc/72/19/82/1078721982.db2.gz LWSXHPYQEHDHTP-GOSISDBHSA-N 1 2 415.542 0.546 20 0 HCADLO O=C(NCC1CC1)[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000616134784 1078722040 /nfs/dbraw/zinc/72/20/40/1078722040.db2.gz LWSXHPYQEHDHTP-SFHVURJKSA-N 1 2 415.542 0.546 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCCN(CC(F)(F)F)CC1 ZINC000616134861 1078722105 /nfs/dbraw/zinc/72/21/05/1078722105.db2.gz HRCBWRQPDVAANF-UHFFFAOYSA-N 1 2 415.464 0.878 20 0 HCADLO CC(C)(C)C(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000616134893 1078721857 /nfs/dbraw/zinc/72/18/57/1078721857.db2.gz JYSFIDOWHQMZSK-UHFFFAOYSA-N 1 2 403.531 0.499 20 0 HCADLO Cc1cc(CN2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)on1 ZINC000616134962 1078722054 /nfs/dbraw/zinc/72/20/54/1078722054.db2.gz SHOWLUREUNPKJN-UHFFFAOYSA-N 1 2 414.514 0.422 20 0 HCADLO CC(C)C(=O)NC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000616135174 1078721842 /nfs/dbraw/zinc/72/18/42/1078721842.db2.gz WEHBTBLPVVTJKI-UHFFFAOYSA-N 1 2 403.531 0.545 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000616135184 1078721823 /nfs/dbraw/zinc/72/18/23/1078721823.db2.gz ZVBJWNUNLRLSFY-UHFFFAOYSA-N 1 2 415.542 0.643 20 0 HCADLO Cc1csc(N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)n1 ZINC000616135201 1078722022 /nfs/dbraw/zinc/72/20/22/1078722022.db2.gz YQASOXLQAQVELY-UHFFFAOYSA-N 1 2 416.555 0.895 20 0 HCADLO O=C(CCN1CCCS1(=O)=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000616145919 1078725113 /nfs/dbraw/zinc/72/51/13/1078725113.db2.gz FPSURTUUXRSTEE-UHFFFAOYSA-N 1 2 408.524 0.631 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000616170986 1078725093 /nfs/dbraw/zinc/72/50/93/1078725093.db2.gz CAKWYDWREGQEEH-UHFFFAOYSA-N 1 2 409.443 0.707 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000616204050 1078728798 /nfs/dbraw/zinc/72/87/98/1078728798.db2.gz BOPAJZHPKOIRAY-GOSISDBHSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000616204050 1078728796 /nfs/dbraw/zinc/72/87/96/1078728796.db2.gz BOPAJZHPKOIRAY-GOSISDBHSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000616204051 1078728710 /nfs/dbraw/zinc/72/87/10/1078728710.db2.gz BOPAJZHPKOIRAY-SFHVURJKSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000616204051 1078728708 /nfs/dbraw/zinc/72/87/08/1078728708.db2.gz BOPAJZHPKOIRAY-SFHVURJKSA-N 1 2 421.461 0.618 20 0 HCADLO COCCn1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000616204396 1078728812 /nfs/dbraw/zinc/72/88/12/1078728812.db2.gz LDMGOJRMIOBNLT-GOSISDBHSA-N 1 2 401.467 0.485 20 0 HCADLO COCCn1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000616204396 1078728807 /nfs/dbraw/zinc/72/88/07/1078728807.db2.gz LDMGOJRMIOBNLT-GOSISDBHSA-N 1 2 401.467 0.485 20 0 HCADLO COCCn1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000616204401 1078728676 /nfs/dbraw/zinc/72/86/76/1078728676.db2.gz LDMGOJRMIOBNLT-SFHVURJKSA-N 1 2 401.467 0.485 20 0 HCADLO COCCn1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000616204401 1078728673 /nfs/dbraw/zinc/72/86/73/1078728673.db2.gz LDMGOJRMIOBNLT-SFHVURJKSA-N 1 2 401.467 0.485 20 0 HCADLO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000616204683 1078728776 /nfs/dbraw/zinc/72/87/76/1078728776.db2.gz UZUAXYPEQPQHKR-INIZCTEOSA-N 1 2 414.437 0.880 20 0 HCADLO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616204683 1078728772 /nfs/dbraw/zinc/72/87/72/1078728772.db2.gz UZUAXYPEQPQHKR-INIZCTEOSA-N 1 2 414.437 0.880 20 0 HCADLO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000616204684 1078728754 /nfs/dbraw/zinc/72/87/54/1078728754.db2.gz UZUAXYPEQPQHKR-MRXNPFEDSA-N 1 2 414.437 0.880 20 0 HCADLO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616204684 1078728749 /nfs/dbraw/zinc/72/87/49/1078728749.db2.gz UZUAXYPEQPQHKR-MRXNPFEDSA-N 1 2 414.437 0.880 20 0 HCADLO O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000616232789 1078732458 /nfs/dbraw/zinc/73/24/58/1078732458.db2.gz CMIXGQLKFYZXSD-GOSISDBHSA-N 1 2 411.462 0.806 20 0 HCADLO O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000616232790 1078732442 /nfs/dbraw/zinc/73/24/42/1078732442.db2.gz CMIXGQLKFYZXSD-SFHVURJKSA-N 1 2 411.462 0.806 20 0 HCADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000616244981 1078731369 /nfs/dbraw/zinc/73/13/69/1078731369.db2.gz KQAFLWUQXWABBA-UHFFFAOYSA-N 1 2 421.454 0.927 20 0 HCADLO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000616294918 1078735828 /nfs/dbraw/zinc/73/58/28/1078735828.db2.gz YYOUXSSDTTXWEG-UHFFFAOYSA-N 1 2 413.459 0.985 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[NH+]1CCOCC1 ZINC000616310855 1078738449 /nfs/dbraw/zinc/73/84/49/1078738449.db2.gz AHYQUHCUJUWTRO-IBGZPJMESA-N 1 2 404.511 0.935 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[NH+]1CCOCC1 ZINC000616310856 1078738374 /nfs/dbraw/zinc/73/83/74/1078738374.db2.gz AHYQUHCUJUWTRO-LJQANCHMSA-N 1 2 404.511 0.935 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)[NH+]1CCOCC1 ZINC000616311027 1078738661 /nfs/dbraw/zinc/73/86/61/1078738661.db2.gz JMOMDWNILNIHJA-GOSISDBHSA-N 1 2 400.483 0.738 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)[NH+]1CCOCC1 ZINC000616311031 1078738424 /nfs/dbraw/zinc/73/84/24/1078738424.db2.gz JMOMDWNILNIHJA-SFHVURJKSA-N 1 2 400.483 0.738 20 0 HCADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000616311142 1078737904 /nfs/dbraw/zinc/73/79/04/1078737904.db2.gz MEYGGLJGQWZLMA-KRWDZBQOSA-N 1 2 420.510 0.809 20 0 HCADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000616311143 1078738027 /nfs/dbraw/zinc/73/80/27/1078738027.db2.gz MEYGGLJGQWZLMA-QGZVFWFLSA-N 1 2 420.510 0.809 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1)[NH+]1CCOCC1 ZINC000616311223 1078738079 /nfs/dbraw/zinc/73/80/79/1078738079.db2.gz NVKPWHMFHIJXBP-GOSISDBHSA-N 1 2 400.483 0.738 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1)[NH+]1CCOCC1 ZINC000616311224 1078738062 /nfs/dbraw/zinc/73/80/62/1078738062.db2.gz NVKPWHMFHIJXBP-SFHVURJKSA-N 1 2 400.483 0.738 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1OCCC(N)=O)[NH+]1CCOCC1 ZINC000616311330 1078738619 /nfs/dbraw/zinc/73/86/19/1078738619.db2.gz TUFWLTRKCZVDFB-INIZCTEOSA-N 1 2 406.483 0.352 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1OCCC(N)=O)[NH+]1CCOCC1 ZINC000616311331 1078738511 /nfs/dbraw/zinc/73/85/11/1078738511.db2.gz TUFWLTRKCZVDFB-MRXNPFEDSA-N 1 2 406.483 0.352 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)[NH+]1CCOCC1 ZINC000616311849 1078738548 /nfs/dbraw/zinc/73/85/48/1078738548.db2.gz DORGAXHCFCCSMA-SFHVURJKSA-N 1 2 420.510 0.565 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000616312283 1078738493 /nfs/dbraw/zinc/73/84/93/1078738493.db2.gz YGPDQBCUWYDZOE-UHFFFAOYSA-N 1 2 423.477 0.268 20 0 HCADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)[NH+]1CCOCC1 ZINC000616312423 1078738466 /nfs/dbraw/zinc/73/84/66/1078738466.db2.gz CMNUITVNCXRKMK-HNNXBMFYSA-N 1 2 412.512 0.287 20 0 HCADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)[NH+]1CCOCC1 ZINC000616312424 1078738528 /nfs/dbraw/zinc/73/85/28/1078738528.db2.gz CMNUITVNCXRKMK-OAHLLOKOSA-N 1 2 412.512 0.287 20 0 HCADLO COCCn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000616398090 1078748597 /nfs/dbraw/zinc/74/85/97/1078748597.db2.gz MYUKPYDDHFNSFS-UHFFFAOYSA-N 1 2 400.483 0.406 20 0 HCADLO COCCn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000616398166 1078748471 /nfs/dbraw/zinc/74/84/71/1078748471.db2.gz RKYDOCJUPYLIMP-UHFFFAOYSA-N 1 2 418.473 0.546 20 0 HCADLO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000616406734 1078746198 /nfs/dbraw/zinc/74/61/98/1078746198.db2.gz ALCWTQAEAJUJNM-UHFFFAOYSA-N 1 2 413.459 0.985 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000616410251 1078746148 /nfs/dbraw/zinc/74/61/48/1078746148.db2.gz BPDPLRFLNOFNLH-GOSISDBHSA-N 1 2 423.473 0.707 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000616410252 1078746190 /nfs/dbraw/zinc/74/61/90/1078746190.db2.gz BPDPLRFLNOFNLH-SFHVURJKSA-N 1 2 423.473 0.707 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c2ccccc2O1 ZINC000616413424 1078746614 /nfs/dbraw/zinc/74/66/14/1078746614.db2.gz CRCDLOFDLIEWOB-KRWDZBQOSA-N 1 2 411.462 0.418 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c2ccccc2O1 ZINC000616413425 1078746681 /nfs/dbraw/zinc/74/66/81/1078746681.db2.gz CRCDLOFDLIEWOB-QGZVFWFLSA-N 1 2 411.462 0.418 20 0 HCADLO CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000616413610 1078746653 /nfs/dbraw/zinc/74/66/53/1078746653.db2.gz YYNYVEFLKMGFMP-UHFFFAOYSA-N 1 2 413.478 0.984 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000616423139 1078749572 /nfs/dbraw/zinc/74/95/72/1078749572.db2.gz DXIBWDNNLSOFCA-GFCCVEGCSA-N 1 2 409.443 0.706 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000616423140 1078749523 /nfs/dbraw/zinc/74/95/23/1078749523.db2.gz DXIBWDNNLSOFCA-LBPRGKRZSA-N 1 2 409.443 0.706 20 0 HCADLO COCCN(CCOC)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000616697419 1078764906 /nfs/dbraw/zinc/76/49/06/1078764906.db2.gz DZYHLCFRTKWXCA-UHFFFAOYSA-N 1 2 406.483 0.134 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000616703268 1078766103 /nfs/dbraw/zinc/76/61/03/1078766103.db2.gz GDHMFBMWMPFYMW-UHFFFAOYSA-N 1 2 401.511 0.487 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000616718802 1078763189 /nfs/dbraw/zinc/76/31/89/1078763189.db2.gz FYHAODXSWKQRTC-UHFFFAOYSA-N 1 2 424.523 0.582 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000616718860 1078763308 /nfs/dbraw/zinc/76/33/08/1078763308.db2.gz OYRUXCZOTXWRGQ-UHFFFAOYSA-N 1 2 408.524 0.882 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000616718949 1078763223 /nfs/dbraw/zinc/76/32/23/1078763223.db2.gz VWRFKEGZRABWEF-UHFFFAOYSA-N 1 2 424.523 0.582 20 0 HCADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000616719009 1078763466 /nfs/dbraw/zinc/76/34/66/1078763466.db2.gz ZNULXCVRKOAETC-UHFFFAOYSA-N 1 2 408.524 0.882 20 0 HCADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000616719777 1078763074 /nfs/dbraw/zinc/76/30/74/1078763074.db2.gz IQRYYCVVABZJJO-HNNXBMFYSA-N 1 2 408.524 0.820 20 0 HCADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000616719778 1078763408 /nfs/dbraw/zinc/76/34/08/1078763408.db2.gz IQRYYCVVABZJJO-OAHLLOKOSA-N 1 2 408.524 0.820 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)CC1 ZINC000616719780 1078763121 /nfs/dbraw/zinc/76/31/21/1078763121.db2.gz JKFJUSAUOUKOCD-UHFFFAOYSA-N 1 2 410.496 0.239 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC000616719791 1078763443 /nfs/dbraw/zinc/76/34/43/1078763443.db2.gz MBQWWGQYMJCJIG-UHFFFAOYSA-N 1 2 403.483 0.060 20 0 HCADLO CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000616719795 1078763281 /nfs/dbraw/zinc/76/32/81/1078763281.db2.gz MQJZONBZFKTNNF-UHFFFAOYSA-N 1 2 424.523 0.582 20 0 HCADLO CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000616719806 1078763207 /nfs/dbraw/zinc/76/32/07/1078763207.db2.gz QDJYEMLAZJFDNR-UHFFFAOYSA-N 1 2 408.524 0.820 20 0 HCADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 ZINC000616719825 1078763346 /nfs/dbraw/zinc/76/33/46/1078763346.db2.gz TZOSTBGIWIDFTL-UHFFFAOYSA-N 1 2 417.510 0.072 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC1 ZINC000616720794 1078763937 /nfs/dbraw/zinc/76/39/37/1078763937.db2.gz ADYMDNSVXOVSNO-UHFFFAOYSA-N 1 2 411.528 0.106 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000616720874 1078763829 /nfs/dbraw/zinc/76/38/29/1078763829.db2.gz KPLQAXWZQQHPTP-UHFFFAOYSA-N 1 2 402.904 0.693 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)CC1 ZINC000616720940 1078763943 /nfs/dbraw/zinc/76/39/43/1078763943.db2.gz POYMCCFVRJAQJH-UHFFFAOYSA-N 1 2 404.467 0.455 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000616720955 1078763887 /nfs/dbraw/zinc/76/38/87/1078763887.db2.gz QHOHVLNNNFGKDD-UHFFFAOYSA-N 1 2 422.551 0.770 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000616720960 1078763870 /nfs/dbraw/zinc/76/38/70/1078763870.db2.gz RZKVQSYBXBWRHA-UHFFFAOYSA-N 1 2 408.524 0.964 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000616720965 1078763956 /nfs/dbraw/zinc/76/39/56/1078763956.db2.gz SKSLGRBCTKDFSN-UHFFFAOYSA-N 1 2 408.524 0.964 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 ZINC000616721036 1078763370 /nfs/dbraw/zinc/76/33/70/1078763370.db2.gz YRYBIKYAMDZRJT-IBGZPJMESA-N 1 2 414.506 0.957 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 ZINC000616721037 1078763239 /nfs/dbraw/zinc/76/32/39/1078763239.db2.gz YRYBIKYAMDZRJT-LJQANCHMSA-N 1 2 414.506 0.957 20 0 HCADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1 ZINC000616721044 1078763096 /nfs/dbraw/zinc/76/30/96/1078763096.db2.gz ZCJSFSNNPOSGHF-UHFFFAOYSA-N 1 2 408.462 0.647 20 0 HCADLO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000616729016 1078766946 /nfs/dbraw/zinc/76/69/46/1078766946.db2.gz DPWFSCFZZYTLFG-UHFFFAOYSA-N 1 2 423.473 0.841 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OCC(N)=O ZINC000616729032 1078767228 /nfs/dbraw/zinc/76/72/28/1078767228.db2.gz DXXPONVDLOVMKN-UHFFFAOYSA-N 1 2 413.434 0.242 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1C ZINC000616729070 1078767172 /nfs/dbraw/zinc/76/71/72/1078767172.db2.gz HNNXPXBIEIXWFY-UHFFFAOYSA-N 1 2 417.491 0.585 20 0 HCADLO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000616729089 1078767078 /nfs/dbraw/zinc/76/70/78/1078767078.db2.gz KPWZCKDBWFGTJO-UHFFFAOYSA-N 1 2 411.462 0.836 20 0 HCADLO CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)C1=O ZINC000616729107 1078767223 /nfs/dbraw/zinc/76/72/23/1078767223.db2.gz MSKJEHSYYLVJNQ-UHFFFAOYSA-N 1 2 422.445 0.767 20 0 HCADLO O=C(Nc1cccc(Cn2cccnc2=O)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000616729109 1078767047 /nfs/dbraw/zinc/76/70/47/1078767047.db2.gz MUMPIQCHHGSVGS-UHFFFAOYSA-N 1 2 418.457 0.974 20 0 HCADLO CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000616729110 1078767062 /nfs/dbraw/zinc/76/70/62/1078767062.db2.gz MXVUBYXPZVIOQO-UHFFFAOYSA-N 1 2 406.439 0.912 20 0 HCADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000616729171 1078766976 /nfs/dbraw/zinc/76/69/76/1078766976.db2.gz SFJSJKNSIUPJRE-UHFFFAOYSA-N 1 2 411.462 0.884 20 0 HCADLO O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000616729212 1078766924 /nfs/dbraw/zinc/76/69/24/1078766924.db2.gz YGVJWDKQOSPQQP-UHFFFAOYSA-N 1 2 423.473 0.841 20 0 HCADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000616729216 1078766992 /nfs/dbraw/zinc/76/69/92/1078766992.db2.gz YSZVTDBQVVJUNK-UHFFFAOYSA-N 1 2 411.462 0.884 20 0 HCADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000616729231 1078767149 /nfs/dbraw/zinc/76/71/49/1078767149.db2.gz ZWXNFMUQNKAQBE-UHFFFAOYSA-N 1 2 417.491 0.619 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc2)CC1 ZINC000616864139 1078782752 /nfs/dbraw/zinc/78/27/52/1078782752.db2.gz LWVPJFPXFUFLDR-UHFFFAOYSA-N 1 2 403.527 0.746 20 0 HCADLO CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000616877979 1078781640 /nfs/dbraw/zinc/78/16/40/1078781640.db2.gz JUXSUYCJLKIFME-UHFFFAOYSA-N 1 2 417.510 0.386 20 0 HCADLO CC(=O)N1CCCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000616953836 1078795500 /nfs/dbraw/zinc/79/55/00/1078795500.db2.gz XGNIRMMRLKYMHI-UHFFFAOYSA-N 1 2 415.494 0.094 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC(C(=O)NC)CC3)cc2)CC1 ZINC000616955611 1078791114 /nfs/dbraw/zinc/79/11/14/1078791114.db2.gz MZDQZOACXCMNJF-UHFFFAOYSA-N 1 2 415.538 0.747 20 0 HCADLO NC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000616974343 1078794320 /nfs/dbraw/zinc/79/43/20/1078794320.db2.gz ZBARVHTWMVFGJM-UHFFFAOYSA-N 1 2 418.885 0.695 20 0 HCADLO NC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000616974343 1078794308 /nfs/dbraw/zinc/79/43/08/1078794308.db2.gz ZBARVHTWMVFGJM-UHFFFAOYSA-N 1 2 418.885 0.695 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)CC1 ZINC000616986925 1078796772 /nfs/dbraw/zinc/79/67/72/1078796772.db2.gz WMODJFOWFOJHQP-UHFFFAOYSA-N 1 2 415.404 0.720 20 0 HCADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000617008563 1078800145 /nfs/dbraw/zinc/80/01/45/1078800145.db2.gz QZQNYDXWSZTWFR-INIZCTEOSA-N 1 2 412.531 0.956 20 0 HCADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000617008567 1078800465 /nfs/dbraw/zinc/80/04/65/1078800465.db2.gz QZQNYDXWSZTWFR-MRXNPFEDSA-N 1 2 412.531 0.956 20 0 HCADLO Cc1ccc2oc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2c1 ZINC000617008599 1078800431 /nfs/dbraw/zinc/80/04/31/1078800431.db2.gz SCOARSBTLKULBT-UHFFFAOYSA-N 1 2 406.508 0.991 20 0 HCADLO Cc1cnn(CCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000617016431 1078800869 /nfs/dbraw/zinc/80/08/69/1078800869.db2.gz IMCYXBUDQZAOEK-UHFFFAOYSA-N 1 2 406.512 0.245 20 0 HCADLO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)OCO2 ZINC000617071710 1078801219 /nfs/dbraw/zinc/80/12/19/1078801219.db2.gz SSQLNJACEGYCKF-CYBMUJFWSA-N 1 2 419.434 0.464 20 0 HCADLO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)OCO2 ZINC000617071711 1078801136 /nfs/dbraw/zinc/80/11/36/1078801136.db2.gz SSQLNJACEGYCKF-ZDUSSCGKSA-N 1 2 419.434 0.464 20 0 HCADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000617350075 1078811709 /nfs/dbraw/zinc/81/17/09/1078811709.db2.gz DSYZIHXYRYKCJC-UHFFFAOYSA-N 1 2 405.480 0.214 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CC1 ZINC000617484941 1078818025 /nfs/dbraw/zinc/81/80/25/1078818025.db2.gz ODGQWRJQIIMHAG-UHFFFAOYSA-N 1 2 407.434 0.586 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000617529205 1078822383 /nfs/dbraw/zinc/82/23/83/1078822383.db2.gz SYBQOUXVUULEAI-UHFFFAOYSA-N 1 2 421.473 0.266 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000617529205 1078822381 /nfs/dbraw/zinc/82/23/81/1078822381.db2.gz SYBQOUXVUULEAI-UHFFFAOYSA-N 1 2 421.473 0.266 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CC1 ZINC000617531033 1078822890 /nfs/dbraw/zinc/82/28/90/1078822890.db2.gz CYCIHXDAUVUVQT-UHFFFAOYSA-N 1 2 402.495 0.963 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CC1 ZINC000617531033 1078822888 /nfs/dbraw/zinc/82/28/88/1078822888.db2.gz CYCIHXDAUVUVQT-UHFFFAOYSA-N 1 2 402.495 0.963 20 0 HCADLO NC(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ccc1F ZINC000617531040 1078822835 /nfs/dbraw/zinc/82/28/35/1078822835.db2.gz ICNIEJMIRHJXME-UHFFFAOYSA-N 1 2 419.457 0.020 20 0 HCADLO NC(=O)c1cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccc1F ZINC000617531040 1078822829 /nfs/dbraw/zinc/82/28/29/1078822829.db2.gz ICNIEJMIRHJXME-UHFFFAOYSA-N 1 2 419.457 0.020 20 0 HCADLO CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000617596663 1078827545 /nfs/dbraw/zinc/82/75/45/1078827545.db2.gz MLTUTNURWWOPSC-UHFFFAOYSA-N 1 2 403.527 0.699 20 0 HCADLO CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000617621497 1078831473 /nfs/dbraw/zinc/83/14/73/1078831473.db2.gz ZWYUKUKUYLWDCG-INIZCTEOSA-N 1 2 420.510 0.162 20 0 HCADLO CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000617621498 1078831357 /nfs/dbraw/zinc/83/13/57/1078831357.db2.gz ZWYUKUKUYLWDCG-MRXNPFEDSA-N 1 2 420.510 0.162 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC(CC(N)=O)CC2)CC1 ZINC000617645245 1078832518 /nfs/dbraw/zinc/83/25/18/1078832518.db2.gz AHKBUWDLTXZUMR-UHFFFAOYSA-N 1 2 415.494 0.127 20 0 HCADLO CCN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000617659134 1078834338 /nfs/dbraw/zinc/83/43/38/1078834338.db2.gz OAJPCZUGJGUZIO-INIZCTEOSA-N 1 2 402.495 0.898 20 0 HCADLO CCN(C[C@H]1CCOC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000617659135 1078834224 /nfs/dbraw/zinc/83/42/24/1078834224.db2.gz OAJPCZUGJGUZIO-MRXNPFEDSA-N 1 2 402.495 0.898 20 0 HCADLO CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000617758964 1078840057 /nfs/dbraw/zinc/84/00/57/1078840057.db2.gz FZEDYPKAVODNNW-HNNXBMFYSA-N 1 2 417.510 0.434 20 0 HCADLO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000617758965 1078839987 /nfs/dbraw/zinc/83/99/87/1078839987.db2.gz FZEDYPKAVODNNW-OAHLLOKOSA-N 1 2 417.510 0.434 20 0 HCADLO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)Cn1cccn1 ZINC000617803070 1078844378 /nfs/dbraw/zinc/84/43/78/1078844378.db2.gz HHCWFVINYLDUKD-INIZCTEOSA-N 1 2 412.494 0.662 20 0 HCADLO C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)Cn1cccn1 ZINC000617803071 1078844458 /nfs/dbraw/zinc/84/44/58/1078844458.db2.gz HHCWFVINYLDUKD-MRXNPFEDSA-N 1 2 412.494 0.662 20 0 HCADLO COCCCN(CCOC)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000617816336 1078844848 /nfs/dbraw/zinc/84/48/48/1078844848.db2.gz BISLUPUKTPVVSG-UHFFFAOYSA-N 1 2 420.510 0.524 20 0 HCADLO CCCNC(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000617846602 1078845214 /nfs/dbraw/zinc/84/52/14/1078845214.db2.gz HJJNVVYEQMCPEK-UHFFFAOYSA-N 1 2 403.483 0.045 20 0 HCADLO O=C(Cc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1)N1CCOCC1 ZINC000617861879 1078845157 /nfs/dbraw/zinc/84/51/57/1078845157.db2.gz FLLVEAPCPQGJLW-UHFFFAOYSA-N 1 2 413.478 0.820 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000617903417 1078847393 /nfs/dbraw/zinc/84/73/93/1078847393.db2.gz AZWUWBPDXUOTMP-UHFFFAOYSA-N 1 2 405.524 0.704 20 0 HCADLO CCCc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]n1 ZINC000617978403 1078851727 /nfs/dbraw/zinc/85/17/27/1078851727.db2.gz WMYLTBLOCWMIMF-UHFFFAOYSA-N 1 2 406.512 0.639 20 0 HCADLO CC(C)(C)c1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]n1 ZINC000617979425 1078851686 /nfs/dbraw/zinc/85/16/86/1078851686.db2.gz FEGOQKJUQRAONM-UHFFFAOYSA-N 1 2 420.539 0.984 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)cc1 ZINC000618028863 1078852814 /nfs/dbraw/zinc/85/28/14/1078852814.db2.gz IUQXAQQXMHGHHI-UHFFFAOYSA-N 1 2 422.532 0.381 20 0 HCADLO O=C(CCn1cc(Br)cn1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000618157079 1078856313 /nfs/dbraw/zinc/85/63/13/1078856313.db2.gz IZCZRPGPFIDBTG-UHFFFAOYSA-N 1 2 408.304 0.764 20 0 HCADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000618343550 1078858802 /nfs/dbraw/zinc/85/88/02/1078858802.db2.gz SEMVIXOAOACLDM-UHFFFAOYSA-N 1 2 421.546 0.896 20 0 HCADLO CCOC1CC[NH+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 ZINC000618444522 1078860554 /nfs/dbraw/zinc/86/05/54/1078860554.db2.gz AOAOWYQLGPEUBC-UHFFFAOYSA-N 1 2 400.479 0.861 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(NC(=O)COC)CC2)ccc1C ZINC000618524227 1078863403 /nfs/dbraw/zinc/86/34/03/1078863403.db2.gz QMPVWILJSFKTOP-UHFFFAOYSA-N 1 2 412.512 0.069 20 0 HCADLO COC(=O)CC1(NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCC1 ZINC000618536650 1078864589 /nfs/dbraw/zinc/86/45/89/1078864589.db2.gz YZZDERZUHIXTAH-UHFFFAOYSA-N 1 2 416.478 0.615 20 0 HCADLO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000618643843 1078867308 /nfs/dbraw/zinc/86/73/08/1078867308.db2.gz VBCGIXSWCVAXHS-UHFFFAOYSA-N 1 2 400.520 0.782 20 0 HCADLO CC(C)(C)NS(=O)(=O)CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000618677775 1078868874 /nfs/dbraw/zinc/86/88/74/1078868874.db2.gz VILYDMSPFQWUDE-UHFFFAOYSA-N 1 2 410.540 0.924 20 0 HCADLO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)n1cccn1 ZINC000618719002 1078871693 /nfs/dbraw/zinc/87/16/93/1078871693.db2.gz JANVMPYOMWMMLN-INIZCTEOSA-N 1 2 412.494 0.929 20 0 HCADLO C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)n1cccn1 ZINC000618719004 1078871618 /nfs/dbraw/zinc/87/16/18/1078871618.db2.gz JANVMPYOMWMMLN-MRXNPFEDSA-N 1 2 412.494 0.929 20 0 HCADLO Cn1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000618769597 1078872465 /nfs/dbraw/zinc/87/24/65/1078872465.db2.gz YBKWGIPQGPOHKU-UHFFFAOYSA-N 1 2 401.492 0.595 20 0 HCADLO Cc1occc1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000618918451 1078878379 /nfs/dbraw/zinc/87/83/79/1078878379.db2.gz VZMFVRZKSGQUFT-UHFFFAOYSA-N 1 2 407.496 0.934 20 0 HCADLO COC(=O)c1cncc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000618959435 1078879154 /nfs/dbraw/zinc/87/91/54/1078879154.db2.gz NBWOCBGYHPUGBC-UHFFFAOYSA-N 1 2 406.464 0.960 20 0 HCADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000619087551 1078885118 /nfs/dbraw/zinc/88/51/18/1078885118.db2.gz QQVVZJWLIRPLHD-UHFFFAOYSA-N 1 2 407.467 0.990 20 0 HCADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000619087551 1078885117 /nfs/dbraw/zinc/88/51/17/1078885117.db2.gz QQVVZJWLIRPLHD-UHFFFAOYSA-N 1 2 407.467 0.990 20 0 HCADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619087682 1078885023 /nfs/dbraw/zinc/88/50/23/1078885023.db2.gz PPDAZKGRCPHZEM-OKILXGFUSA-N 1 2 407.467 0.988 20 0 HCADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619087682 1078885021 /nfs/dbraw/zinc/88/50/21/1078885021.db2.gz PPDAZKGRCPHZEM-OKILXGFUSA-N 1 2 407.467 0.988 20 0 HCADLO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000619094458 1078885572 /nfs/dbraw/zinc/88/55/72/1078885572.db2.gz RXKSDDUYEYLTBV-LSDHHAIUSA-N 1 2 416.478 0.471 20 0 HCADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCn3c(=O)ccn(C)c3=O)cn2c1 ZINC000619253350 1078892976 /nfs/dbraw/zinc/89/29/76/1078892976.db2.gz VLWABKVTZWKDPO-UHFFFAOYSA-N 1 2 401.492 0.943 20 0 HCADLO COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000619513368 1078906879 /nfs/dbraw/zinc/90/68/79/1078906879.db2.gz GMRHKMYMWUSJOK-ROUUACIJSA-N 1 2 405.470 0.851 20 0 HCADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000619518181 1078909245 /nfs/dbraw/zinc/90/92/45/1078909245.db2.gz YAAOFATXRXVGLJ-HNNXBMFYSA-N 1 2 405.451 0.744 20 0 HCADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000619518182 1078909484 /nfs/dbraw/zinc/90/94/84/1078909484.db2.gz YAAOFATXRXVGLJ-OAHLLOKOSA-N 1 2 405.451 0.744 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC2([S@@](C)=O)CCC2)CC1 ZINC000619560346 1078915215 /nfs/dbraw/zinc/91/52/15/1078915215.db2.gz GXKYMFWEWPAQTI-GDLZYMKVSA-N 1 2 420.535 0.430 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC2([S@](C)=O)CCC2)CC1 ZINC000619560347 1078915468 /nfs/dbraw/zinc/91/54/68/1078915468.db2.gz GXKYMFWEWPAQTI-LJAQVGFWSA-N 1 2 420.535 0.430 20 0 HCADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000619734927 1078929154 /nfs/dbraw/zinc/92/91/54/1078929154.db2.gz QDOGISLCPKGOMG-GOSISDBHSA-N 1 2 409.556 0.397 20 0 HCADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000619734936 1078929047 /nfs/dbraw/zinc/92/90/47/1078929047.db2.gz QDOGISLCPKGOMG-SFHVURJKSA-N 1 2 409.556 0.397 20 0 HCADLO CCn1c(N)c(C(=O)C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c(=O)[nH]c1=O ZINC000619738077 1078929616 /nfs/dbraw/zinc/92/96/16/1078929616.db2.gz DKUUIGGBWHWYOE-UHFFFAOYSA-N 1 2 405.499 0.895 20 0 HCADLO Cn1c(N)c(C(=O)C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c(=O)n(C)c1=O ZINC000619738332 1078929785 /nfs/dbraw/zinc/92/97/85/1078929785.db2.gz KYRQGTHOCZQHHI-UHFFFAOYSA-N 1 2 405.499 0.010 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000619738573 1078929803 /nfs/dbraw/zinc/92/98/03/1078929803.db2.gz SXFFDORGECIPAQ-CYBMUJFWSA-N 1 2 419.526 0.398 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000619738574 1078929838 /nfs/dbraw/zinc/92/98/38/1078929838.db2.gz SXFFDORGECIPAQ-ZDUSSCGKSA-N 1 2 419.526 0.398 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)C4CC4)CC3)c2)CC1 ZINC000619801278 1078939409 /nfs/dbraw/zinc/93/94/09/1078939409.db2.gz ZBCSOUXRTNGVQL-UHFFFAOYSA-N 1 2 413.522 0.453 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)nc2)CC1 ZINC000619831806 1078947050 /nfs/dbraw/zinc/94/70/50/1078947050.db2.gz QKWFOTQEENESGM-LLVKDONJSA-N 1 2 400.382 0.717 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)nc2)CC1 ZINC000619831807 1078947124 /nfs/dbraw/zinc/94/71/24/1078947124.db2.gz QKWFOTQEENESGM-NSHDSACASA-N 1 2 400.382 0.717 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000619928173 1078962229 /nfs/dbraw/zinc/96/22/29/1078962229.db2.gz CDMVQEKRRJEVGV-HNNXBMFYSA-N 1 2 423.539 0.620 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000619928174 1078962266 /nfs/dbraw/zinc/96/22/66/1078962266.db2.gz CDMVQEKRRJEVGV-OAHLLOKOSA-N 1 2 423.539 0.620 20 0 HCADLO CN(C)S(=O)(=O)N1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000619944882 1078962850 /nfs/dbraw/zinc/96/28/50/1078962850.db2.gz MYALZNRBIOTBSX-UHFFFAOYSA-N 1 2 410.475 0.645 20 0 HCADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000620006412 1078973976 /nfs/dbraw/zinc/97/39/76/1078973976.db2.gz KMYUVWYZSOVYEU-FQEVSTJZSA-N 1 2 418.519 0.782 20 0 HCADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000620006413 1078973645 /nfs/dbraw/zinc/97/36/45/1078973645.db2.gz KMYUVWYZSOVYEU-HXUWFJFHSA-N 1 2 418.519 0.782 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)N3CCCCC3)CC1)c(=O)n2C ZINC000620105219 1078982802 /nfs/dbraw/zinc/98/28/02/1078982802.db2.gz ISGANJBWBALVJA-UHFFFAOYSA-N 1 2 417.514 0.047 20 0 HCADLO CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000620184708 1078987225 /nfs/dbraw/zinc/98/72/25/1078987225.db2.gz XVTUJMVBYKPXAX-UHFFFAOYSA-N 1 2 411.528 0.035 20 0 HCADLO CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000620184708 1078987217 /nfs/dbraw/zinc/98/72/17/1078987217.db2.gz XVTUJMVBYKPXAX-UHFFFAOYSA-N 1 2 411.528 0.035 20 0 HCADLO C[C@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000620184718 1078987296 /nfs/dbraw/zinc/98/72/96/1078987296.db2.gz BLHBQJQEQMBCPG-KURKYZTESA-N 1 2 418.538 0.707 20 0 HCADLO C[C@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000620184718 1078987289 /nfs/dbraw/zinc/98/72/89/1078987289.db2.gz BLHBQJQEQMBCPG-KURKYZTESA-N 1 2 418.538 0.707 20 0 HCADLO C[C@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000620184719 1078987601 /nfs/dbraw/zinc/98/76/01/1078987601.db2.gz BLHBQJQEQMBCPG-KZNAEPCWSA-N 1 2 418.538 0.707 20 0 HCADLO C[C@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000620184719 1078987591 /nfs/dbraw/zinc/98/75/91/1078987591.db2.gz BLHBQJQEQMBCPG-KZNAEPCWSA-N 1 2 418.538 0.707 20 0 HCADLO C[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000620184720 1078987267 /nfs/dbraw/zinc/98/72/67/1078987267.db2.gz BLHBQJQEQMBCPG-OKZBNKHCSA-N 1 2 418.538 0.707 20 0 HCADLO C[C@@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000620184720 1078987258 /nfs/dbraw/zinc/98/72/58/1078987258.db2.gz BLHBQJQEQMBCPG-OKZBNKHCSA-N 1 2 418.538 0.707 20 0 HCADLO C[C@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000620184721 1078987570 /nfs/dbraw/zinc/98/75/70/1078987570.db2.gz BLHBQJQEQMBCPG-SQNIBIBYSA-N 1 2 418.538 0.707 20 0 HCADLO 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/nfs/dbraw/zinc/99/35/54/1078993554.db2.gz JZZPQRKELGEBHD-CQSZACIVSA-N 1 2 408.449 0.988 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)CC1 ZINC000620198766 1078993597 /nfs/dbraw/zinc/99/35/97/1078993597.db2.gz AMZKXTZTIHQNGP-UHFFFAOYSA-N 1 2 412.494 0.766 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)CC1 ZINC000620198766 1078993590 /nfs/dbraw/zinc/99/35/90/1078993590.db2.gz AMZKXTZTIHQNGP-UHFFFAOYSA-N 1 2 412.494 0.766 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000620198769 1078993173 /nfs/dbraw/zinc/99/31/73/1078993173.db2.gz AQXRATMAHNJYMZ-UHFFFAOYSA-N 1 2 404.511 0.876 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000620198769 1078993162 /nfs/dbraw/zinc/99/31/62/1078993162.db2.gz AQXRATMAHNJYMZ-UHFFFAOYSA-N 1 2 404.511 0.876 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 ZINC000620198797 1078993297 /nfs/dbraw/zinc/99/32/97/1078993297.db2.gz IVMYNFVORIEKKN-AWEZNQCLSA-N 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CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000620198803 1078993393 /nfs/dbraw/zinc/99/33/93/1078993393.db2.gz KASWHDWAWRBWOZ-ZDUSSCGKSA-N 1 2 402.542 0.085 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000620198803 1078993383 /nfs/dbraw/zinc/99/33/83/1078993383.db2.gz KASWHDWAWRBWOZ-ZDUSSCGKSA-N 1 2 402.542 0.085 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000620198883 1078992535 /nfs/dbraw/zinc/99/25/35/1078992535.db2.gz ZIJOXMPVQYNSBB-CALCHBBNSA-N 1 2 403.527 0.979 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000620198883 1078992527 /nfs/dbraw/zinc/99/25/27/1078992527.db2.gz ZIJOXMPVQYNSBB-CALCHBBNSA-N 1 2 403.527 0.979 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000620198884 1078992590 /nfs/dbraw/zinc/99/25/90/1078992590.db2.gz ZIJOXMPVQYNSBB-IAGOWNOFSA-N 1 2 403.527 0.979 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000620198884 1078992582 /nfs/dbraw/zinc/99/25/82/1078992582.db2.gz ZIJOXMPVQYNSBB-IAGOWNOFSA-N 1 2 403.527 0.979 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000620198885 1078993080 /nfs/dbraw/zinc/99/30/80/1078993080.db2.gz ZIJOXMPVQYNSBB-IRXDYDNUSA-N 1 2 403.527 0.979 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000620198885 1078993072 /nfs/dbraw/zinc/99/30/72/1078993072.db2.gz ZIJOXMPVQYNSBB-IRXDYDNUSA-N 1 2 403.527 0.979 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620199222 1078993430 /nfs/dbraw/zinc/99/34/30/1078993430.db2.gz MUDOPWYJTKYHGO-GOSISDBHSA-N 1 2 414.510 0.418 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620199222 1078993418 /nfs/dbraw/zinc/99/34/18/1078993418.db2.gz MUDOPWYJTKYHGO-GOSISDBHSA-N 1 2 414.510 0.418 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620199223 1078993138 /nfs/dbraw/zinc/99/31/38/1078993138.db2.gz MUDOPWYJTKYHGO-SFHVURJKSA-N 1 2 414.510 0.418 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620199223 1078993128 /nfs/dbraw/zinc/99/31/28/1078993128.db2.gz MUDOPWYJTKYHGO-SFHVURJKSA-N 1 2 414.510 0.418 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000620199227 1078993261 /nfs/dbraw/zinc/99/32/61/1078993261.db2.gz MYXJUQYNXWWPQV-UHFFFAOYSA-N 1 2 408.524 0.511 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000620199227 1078993252 /nfs/dbraw/zinc/99/32/52/1078993252.db2.gz MYXJUQYNXWWPQV-UHFFFAOYSA-N 1 2 408.524 0.511 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000620199249 1078994265 /nfs/dbraw/zinc/99/42/65/1078994265.db2.gz SVADQFGOEYDALI-INIZCTEOSA-N 1 2 402.495 0.861 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000620199249 1078994261 /nfs/dbraw/zinc/99/42/61/1078994261.db2.gz SVADQFGOEYDALI-INIZCTEOSA-N 1 2 402.495 0.861 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000620199250 1078994311 /nfs/dbraw/zinc/99/43/11/1078994311.db2.gz SVADQFGOEYDALI-MRXNPFEDSA-N 1 2 402.495 0.861 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000620199250 1078994304 /nfs/dbraw/zinc/99/43/04/1078994304.db2.gz SVADQFGOEYDALI-MRXNPFEDSA-N 1 2 402.495 0.861 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000620199268 1078994286 /nfs/dbraw/zinc/99/42/86/1078994286.db2.gz XHHZFIOWEKFALW-UHFFFAOYSA-N 1 2 408.524 0.511 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000620199268 1078994279 /nfs/dbraw/zinc/99/42/79/1078994279.db2.gz XHHZFIOWEKFALW-UHFFFAOYSA-N 1 2 408.524 0.511 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000620199277 1078994164 /nfs/dbraw/zinc/99/41/64/1078994164.db2.gz 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CCNC(=O)C[N@H+]1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000620199495 1078994075 /nfs/dbraw/zinc/99/40/75/1078994075.db2.gz XHTQOJSHTYZZLE-UHFFFAOYSA-N 1 2 400.479 0.733 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000620199495 1078994065 /nfs/dbraw/zinc/99/40/65/1078994065.db2.gz XHTQOJSHTYZZLE-UHFFFAOYSA-N 1 2 400.479 0.733 20 0 HCADLO COCC[N@H+]1CCCN(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 ZINC000620244855 1078996082 /nfs/dbraw/zinc/99/60/82/1078996082.db2.gz IIMQZUXGCRIZNY-UHFFFAOYSA-N 1 2 408.524 0.762 20 0 HCADLO COCC[N@@H+]1CCCN(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 ZINC000620244855 1078996075 /nfs/dbraw/zinc/99/60/75/1078996075.db2.gz IIMQZUXGCRIZNY-UHFFFAOYSA-N 1 2 408.524 0.762 20 0 HCADLO Cn1cc(CCC[NH+]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cn1 ZINC000620263368 1078997216 /nfs/dbraw/zinc/99/72/16/1078997216.db2.gz ZIMIFXRULRCLPQ-UHFFFAOYSA-N 1 2 404.496 0.941 20 0 HCADLO NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000620263577 1078997196 /nfs/dbraw/zinc/99/71/96/1078997196.db2.gz RFXKEQQNPNZREB-UHFFFAOYSA-N 1 2 403.508 0.836 20 0 HCADLO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000620263577 1078997184 /nfs/dbraw/zinc/99/71/84/1078997184.db2.gz RFXKEQQNPNZREB-UHFFFAOYSA-N 1 2 403.508 0.836 20 0 HCADLO COc1cccc(C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]2CCCO2)c1 ZINC000620263771 1078996876 /nfs/dbraw/zinc/99/68/76/1078996876.db2.gz YGBFMFYRHRRQFR-MRXNPFEDSA-N 1 2 416.478 0.539 20 0 HCADLO COc1cccc(C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]2CCCO2)c1 ZINC000620263771 1078996869 /nfs/dbraw/zinc/99/68/69/1078996869.db2.gz YGBFMFYRHRRQFR-MRXNPFEDSA-N 1 2 416.478 0.539 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000620318556 1078998285 /nfs/dbraw/zinc/99/82/85/1078998285.db2.gz RFNXJVZETSESBE-GDBMZVCRSA-N 1 2 406.483 0.331 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000620318557 1078998135 /nfs/dbraw/zinc/99/81/35/1078998135.db2.gz RFNXJVZETSESBE-GOEBONIOSA-N 1 2 406.483 0.331 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000620318559 1078998220 /nfs/dbraw/zinc/99/82/20/1078998220.db2.gz RFNXJVZETSESBE-HOCLYGCPSA-N 1 2 406.483 0.331 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000620318560 1078998369 /nfs/dbraw/zinc/99/83/69/1078998369.db2.gz RFNXJVZETSESBE-ZBFHGGJFSA-N 1 2 406.483 0.331 20 0 HCADLO NC(=O)c1ccc(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000620343459 1078999062 /nfs/dbraw/zinc/99/90/62/1078999062.db2.gz WNLXSQUGIJMUNU-UHFFFAOYSA-N 1 2 419.503 0.975 20 0 HCADLO NC(=O)c1cccc(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000620343460 1078998786 /nfs/dbraw/zinc/99/87/86/1078998786.db2.gz WOQDCEMDUBBLEU-UHFFFAOYSA-N 1 2 419.503 0.975 20 0 HCADLO C[C@@H]1CN(CC(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](C)OC(C)(C)C3)CC2)CC(C)(C)O1 ZINC000620368617 1078999550 /nfs/dbraw/zinc/99/95/50/1078999550.db2.gz AWNMFZJJKARXCH-QZTJIDSGSA-N 1 2 424.586 0.656 20 0 HCADLO C[C@@H]1CN(CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](C)OC(C)(C)C3)CC2)CC(C)(C)O1 ZINC000620368617 1078999541 /nfs/dbraw/zinc/99/95/41/1078999541.db2.gz AWNMFZJJKARXCH-QZTJIDSGSA-N 1 2 424.586 0.656 20 0 HCADLO CC(C)(C)NS(=O)(=O)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000620396059 1079001986 /nfs/dbraw/zinc/00/19/86/1079001986.db2.gz JAIBOAYPODRNGR-UHFFFAOYSA-N 1 2 413.540 0.732 20 0 HCADLO CN(C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000620397625 1079000220 /nfs/dbraw/zinc/00/02/20/1079000220.db2.gz DUUHSXDAQXVZOU-KRWDZBQOSA-N 1 2 411.524 0.726 20 0 HCADLO CN(C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000620397626 1079000306 /nfs/dbraw/zinc/00/03/06/1079000306.db2.gz DUUHSXDAQXVZOU-QGZVFWFLSA-N 1 2 411.524 0.726 20 0 HCADLO CN1C(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)N4CCOCC4)CC3)cc2C1=O ZINC000620642898 1079022181 /nfs/dbraw/zinc/02/21/81/1079022181.db2.gz FEGUYZBNJKJXEL-UHFFFAOYSA-N 1 2 414.462 0.422 20 0 HCADLO NC(=O)CSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000620803486 1079030800 /nfs/dbraw/zinc/03/08/00/1079030800.db2.gz PUXBAGQDVNAJJU-UHFFFAOYSA-N 1 2 420.535 0.773 20 0 HCADLO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c(OC)n1 ZINC000620830323 1079032272 /nfs/dbraw/zinc/03/22/72/1079032272.db2.gz UEJBGAICOZYCBO-UHFFFAOYSA-N 1 2 413.478 0.976 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc(F)c2F)CC1 ZINC000620832279 1079032904 /nfs/dbraw/zinc/03/29/04/1079032904.db2.gz GIELESVUHSUDLG-UHFFFAOYSA-N 1 2 401.377 0.929 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC)nc2OC)CC1 ZINC000620832585 1079032625 /nfs/dbraw/zinc/03/26/25/1079032625.db2.gz OKSFPYKQSDIEPD-UHFFFAOYSA-N 1 2 421.498 0.440 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC)nc2OC)CC1 ZINC000620832585 1079032621 /nfs/dbraw/zinc/03/26/21/1079032621.db2.gz OKSFPYKQSDIEPD-UHFFFAOYSA-N 1 2 421.498 0.440 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(OC)n1 ZINC000620832647 1079032699 /nfs/dbraw/zinc/03/26/99/1079032699.db2.gz UYNWORPHYSLFQL-UHFFFAOYSA-N 1 2 419.482 0.194 20 0 HCADLO COc1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(OC)n1 ZINC000620832647 1079032695 /nfs/dbraw/zinc/03/26/95/1079032695.db2.gz UYNWORPHYSLFQL-UHFFFAOYSA-N 1 2 419.482 0.194 20 0 HCADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000620844008 1079033975 /nfs/dbraw/zinc/03/39/75/1079033975.db2.gz MJBINMWCERQABA-UHFFFAOYSA-N 1 2 410.496 0.191 20 0 HCADLO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000620844092 1079033629 /nfs/dbraw/zinc/03/36/29/1079033629.db2.gz BLTOJULGIXFTDC-UHFFFAOYSA-N 1 2 406.508 0.167 20 0 HCADLO C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1)n1cncn1 ZINC000620844108 1079033512 /nfs/dbraw/zinc/03/35/12/1079033512.db2.gz ITTIEBPMTYHTAZ-AWEZNQCLSA-N 1 2 411.466 0.723 20 0 HCADLO C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1)n1cncn1 ZINC000620844109 1079033360 /nfs/dbraw/zinc/03/33/60/1079033360.db2.gz ITTIEBPMTYHTAZ-CQSZACIVSA-N 1 2 411.466 0.723 20 0 HCADLO O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000620844128 1079033337 /nfs/dbraw/zinc/03/33/37/1079033337.db2.gz PLYSRLYXPKDSSO-UHFFFAOYSA-N 1 2 410.471 0.611 20 0 HCADLO O=C(Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1)N1CCOCC1 ZINC000620844137 1079033595 /nfs/dbraw/zinc/03/35/95/1079033595.db2.gz RTQNTMVXRMRVFL-UHFFFAOYSA-N 1 2 400.479 0.333 20 0 HCADLO Cn1c(=O)c2cc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)cnc2n(C)c1=O ZINC000620886097 1079037248 /nfs/dbraw/zinc/03/72/48/1079037248.db2.gz VUPDRKMWBWBYGZ-UHFFFAOYSA-N 1 2 409.446 0.717 20 0 HCADLO Cn1c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000620895583 1079037899 /nfs/dbraw/zinc/03/78/99/1079037899.db2.gz AUWUMKWBQSRNRT-UHFFFAOYSA-N 1 2 411.462 0.660 20 0 HCADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000620896001 1079037876 /nfs/dbraw/zinc/03/78/76/1079037876.db2.gz NZQKBLMBOLBWFK-AEFFLSMTSA-N 1 2 421.519 0.493 20 0 HCADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000620896002 1079037994 /nfs/dbraw/zinc/03/79/94/1079037994.db2.gz NZQKBLMBOLBWFK-FUHWJXTLSA-N 1 2 421.519 0.493 20 0 HCADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000620896003 1079038174 /nfs/dbraw/zinc/03/81/74/1079038174.db2.gz NZQKBLMBOLBWFK-SJLPKXTDSA-N 1 2 421.519 0.493 20 0 HCADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000620896004 1079038111 /nfs/dbraw/zinc/03/81/11/1079038111.db2.gz NZQKBLMBOLBWFK-WMZOPIPTSA-N 1 2 421.519 0.493 20 0 HCADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000620901735 1079038872 /nfs/dbraw/zinc/03/88/72/1079038872.db2.gz ZNHJLBWRPXKGKL-UHFFFAOYSA-N 1 2 418.519 0.792 20 0 HCADLO CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000620902574 1079038914 /nfs/dbraw/zinc/03/89/14/1079038914.db2.gz SRBZMQUBFMJXEY-UHFFFAOYSA-N 1 2 413.540 0.732 20 0 HCADLO CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000620902672 1079039008 /nfs/dbraw/zinc/03/90/08/1079039008.db2.gz VTBXQBVCTPVPFC-KRWDZBQOSA-N 1 2 411.524 0.438 20 0 HCADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000620902673 1079038938 /nfs/dbraw/zinc/03/89/38/1079038938.db2.gz VTBXQBVCTPVPFC-QGZVFWFLSA-N 1 2 411.524 0.438 20 0 HCADLO O=S(=O)(CCNc1cncc(-n2cncn2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000620929146 1079039859 /nfs/dbraw/zinc/03/98/59/1079039859.db2.gz BITZWBBHJUGLPC-UHFFFAOYSA-N 1 2 415.483 0.016 20 0 HCADLO C[C@H]1Cc2ccccc2N1C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000620937491 1079040828 /nfs/dbraw/zinc/04/08/28/1079040828.db2.gz MUXZOZXKTAGDPV-AWEZNQCLSA-N 1 2 411.506 0.765 20 0 HCADLO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000620937492 1079040714 /nfs/dbraw/zinc/04/07/14/1079040714.db2.gz MUXZOZXKTAGDPV-CQSZACIVSA-N 1 2 411.506 0.765 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000620958450 1079041636 /nfs/dbraw/zinc/04/16/36/1079041636.db2.gz WLMSRDPWXWDNIE-INIZCTEOSA-N 1 2 411.524 0.632 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H]1CCS(=O)(=O)C1 ZINC000620958451 1079041766 /nfs/dbraw/zinc/04/17/66/1079041766.db2.gz WLMSRDPWXWDNIE-MRXNPFEDSA-N 1 2 411.524 0.632 20 0 HCADLO O=C(CN1CCOCC1)N1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000621014955 1079047654 /nfs/dbraw/zinc/04/76/54/1079047654.db2.gz UJQYXSSQJOIDTN-UHFFFAOYSA-N 1 2 401.511 0.188 20 0 HCADLO CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000621023286 1079050702 /nfs/dbraw/zinc/05/07/02/1079050702.db2.gz LETPENHCOSRSCN-CABCVRRESA-N 1 2 417.510 0.432 20 0 HCADLO CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000621023287 1079050625 /nfs/dbraw/zinc/05/06/25/1079050625.db2.gz LETPENHCOSRSCN-GJZGRUSLSA-N 1 2 417.510 0.432 20 0 HCADLO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000621023288 1079050665 /nfs/dbraw/zinc/05/06/65/1079050665.db2.gz LETPENHCOSRSCN-HUUCEWRRSA-N 1 2 417.510 0.432 20 0 HCADLO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000621023289 1079050550 /nfs/dbraw/zinc/05/05/50/1079050550.db2.gz LETPENHCOSRSCN-LSDHHAIUSA-N 1 2 417.510 0.432 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c2ccccc2O1 ZINC000621023652 1079050693 /nfs/dbraw/zinc/05/06/93/1079050693.db2.gz QKODSTBKMLUDTK-IBGZPJMESA-N 1 2 408.458 0.659 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c2ccccc2O1 ZINC000621023653 1079050640 /nfs/dbraw/zinc/05/06/40/1079050640.db2.gz QKODSTBKMLUDTK-LJQANCHMSA-N 1 2 408.458 0.659 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1C ZINC000621023813 1079050367 /nfs/dbraw/zinc/05/03/67/1079050367.db2.gz VDZIYMPAXSLQBW-UHFFFAOYSA-N 1 2 416.503 0.974 20 0 HCADLO COc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1OCC(N)=O ZINC000621023989 1079050208 /nfs/dbraw/zinc/05/02/08/1079050208.db2.gz YTGHRQHBUXWJAO-UHFFFAOYSA-N 1 2 412.446 0.630 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000621139621 1079055319 /nfs/dbraw/zinc/05/53/19/1079055319.db2.gz HAFNPYUDYYAAJL-UHFFFAOYSA-N 1 2 407.481 0.035 20 0 HCADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000621471807 1079066531 /nfs/dbraw/zinc/06/65/31/1079066531.db2.gz BALRNTDQMJXGEI-GOSISDBHSA-N 1 2 401.511 0.301 20 0 HCADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000621471808 1079066492 /nfs/dbraw/zinc/06/64/92/1079066492.db2.gz BALRNTDQMJXGEI-SFHVURJKSA-N 1 2 401.511 0.301 20 0 HCADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000621472218 1079066343 /nfs/dbraw/zinc/06/63/43/1079066343.db2.gz OISLDVWEDNYQCW-UHFFFAOYSA-N 1 2 400.527 0.954 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)cc1 ZINC000621476217 1079066546 /nfs/dbraw/zinc/06/65/46/1079066546.db2.gz HPFFPELSMXWYDV-HNNXBMFYSA-N 1 2 404.492 0.987 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)cc1 ZINC000621476218 1079067038 /nfs/dbraw/zinc/06/70/38/1079067038.db2.gz HPFFPELSMXWYDV-OAHLLOKOSA-N 1 2 404.492 0.987 20 0 HCADLO COc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000621505296 1079067934 /nfs/dbraw/zinc/06/79/34/1079067934.db2.gz DATCNGMPYQKLFQ-KRWDZBQOSA-N 1 2 405.495 0.843 20 0 HCADLO COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621506516 1079067872 /nfs/dbraw/zinc/06/78/72/1079067872.db2.gz CEPQMVHFKMXJPE-INIZCTEOSA-N 1 2 421.494 0.509 20 0 HCADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000621506625 1079067897 /nfs/dbraw/zinc/06/78/97/1079067897.db2.gz RQWHQQJKCSOCDT-INIZCTEOSA-N 1 2 404.492 0.783 20 0 HCADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000621506626 1079067954 /nfs/dbraw/zinc/06/79/54/1079067954.db2.gz RQWHQQJKCSOCDT-MRXNPFEDSA-N 1 2 404.492 0.783 20 0 HCADLO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000621506669 1079067972 /nfs/dbraw/zinc/06/79/72/1079067972.db2.gz YBYODRNIXGABFE-AEFFLSMTSA-N 1 2 412.494 0.625 20 0 HCADLO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000621506670 1079068473 /nfs/dbraw/zinc/06/84/73/1079068473.db2.gz YBYODRNIXGABFE-FUHWJXTLSA-N 1 2 412.494 0.625 20 0 HCADLO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000621506671 1079068326 /nfs/dbraw/zinc/06/83/26/1079068326.db2.gz YBYODRNIXGABFE-SJLPKXTDSA-N 1 2 412.494 0.625 20 0 HCADLO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2cncn2)cc1 ZINC000621506672 1079068242 /nfs/dbraw/zinc/06/82/42/1079068242.db2.gz YBYODRNIXGABFE-WMZOPIPTSA-N 1 2 412.494 0.625 20 0 HCADLO Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1N ZINC000621511301 1079068429 /nfs/dbraw/zinc/06/84/29/1079068429.db2.gz YMQJHPZAUUVHPX-UHFFFAOYSA-N 1 2 403.508 0.854 20 0 HCADLO O=C(Nc1cccc(CN2CCCC2=O)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621512470 1079068387 /nfs/dbraw/zinc/06/83/87/1079068387.db2.gz WUAIDTGWBZSUBF-GOSISDBHSA-N 1 2 414.506 0.928 20 0 HCADLO CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000621515028 1079068292 /nfs/dbraw/zinc/06/82/92/1079068292.db2.gz ONMJSLQBPXTDDD-KRWDZBQOSA-N 1 2 405.495 0.891 20 0 HCADLO Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621629289 1079071782 /nfs/dbraw/zinc/07/17/82/1079071782.db2.gz DPLOIFNVWZOLLO-IBGZPJMESA-N 1 2 400.523 0.824 20 0 HCADLO Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621629290 1079071798 /nfs/dbraw/zinc/07/17/98/1079071798.db2.gz DPLOIFNVWZOLLO-LJQANCHMSA-N 1 2 400.523 0.824 20 0 HCADLO COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(OC)c1 ZINC000621629332 1079071926 /nfs/dbraw/zinc/07/19/26/1079071926.db2.gz JZZQMMPLPNYLFI-QGZVFWFLSA-N 1 2 405.495 0.843 20 0 HCADLO Cc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621629338 1079071919 /nfs/dbraw/zinc/07/19/19/1079071919.db2.gz LGNDHHRHZTTYDC-KRWDZBQOSA-N 1 2 402.495 0.573 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ccc(O)cc2)CC1 ZINC000621629367 1079071541 /nfs/dbraw/zinc/07/15/41/1079071541.db2.gz PWOGNLQWYFEOAA-KRWDZBQOSA-N 1 2 402.495 0.222 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ccc(O)cc2)CC1 ZINC000621629368 1079071579 /nfs/dbraw/zinc/07/15/79/1079071579.db2.gz PWOGNLQWYFEOAA-QGZVFWFLSA-N 1 2 402.495 0.222 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ccccc2O)CC1 ZINC000621631314 1079072007 /nfs/dbraw/zinc/07/20/07/1079072007.db2.gz BTYRWBMJCHLYAG-KRWDZBQOSA-N 1 2 402.495 0.222 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ccccc2O)CC1 ZINC000621631317 1079071953 /nfs/dbraw/zinc/07/19/53/1079071953.db2.gz BTYRWBMJCHLYAG-QGZVFWFLSA-N 1 2 402.495 0.222 20 0 HCADLO CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621631375 1079071836 /nfs/dbraw/zinc/07/18/36/1079071836.db2.gz OWHJXROWQGQKKX-DLBZAZTESA-N 1 2 403.479 0.466 20 0 HCADLO CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621631376 1079071910 /nfs/dbraw/zinc/07/19/10/1079071910.db2.gz OWHJXROWQGQKKX-IRXDYDNUSA-N 1 2 403.479 0.466 20 0 HCADLO CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621631377 1079071969 /nfs/dbraw/zinc/07/19/69/1079071969.db2.gz OWHJXROWQGQKKX-SJORKVTESA-N 1 2 403.479 0.466 20 0 HCADLO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000621631384 1079071960 /nfs/dbraw/zinc/07/19/60/1079071960.db2.gz RPZKHBXTDWCIJG-GOSISDBHSA-N 1 2 417.506 0.769 20 0 HCADLO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000621632052 1079072341 /nfs/dbraw/zinc/07/23/41/1079072341.db2.gz VSPPWRZLJPYZDH-KRWDZBQOSA-N 1 2 406.552 0.573 20 0 HCADLO O=C(NCc1ccccc1Cn1cccn1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621633628 1079072407 /nfs/dbraw/zinc/07/24/07/1079072407.db2.gz CNHIRILWZFGLTQ-FQEVSTJZSA-N 1 2 411.506 0.728 20 0 HCADLO O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621636594 1079072416 /nfs/dbraw/zinc/07/24/16/1079072416.db2.gz QRDSFAPWDYJTHU-HNNXBMFYSA-N 1 2 423.539 0.095 20 0 HCADLO O=C(NCc1cn2cc(Cl)ccc2n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621637346 1079070559 /nfs/dbraw/zinc/07/05/59/1079070559.db2.gz OASRBBUPQZNOCD-AWEZNQCLSA-N 1 2 405.886 0.785 20 0 HCADLO O=C(NCc1cn2cc(Cl)ccc2n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621637347 1079070462 /nfs/dbraw/zinc/07/04/62/1079070462.db2.gz OASRBBUPQZNOCD-CQSZACIVSA-N 1 2 405.886 0.785 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C ZINC000621637384 1079070028 /nfs/dbraw/zinc/07/00/28/1079070028.db2.gz ZASVILRUENDFTF-HNNXBMFYSA-N 1 2 424.523 0.022 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C ZINC000621637385 1079070167 /nfs/dbraw/zinc/07/01/67/1079070167.db2.gz ZASVILRUENDFTF-OAHLLOKOSA-N 1 2 424.523 0.022 20 0 HCADLO O=C(NCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000621637427 1079069980 /nfs/dbraw/zinc/06/99/80/1079069980.db2.gz MQOHEEHKDCCTRY-MRXNPFEDSA-N 1 2 422.913 0.367 20 0 HCADLO COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1NC(C)=O ZINC000621637443 1079069996 /nfs/dbraw/zinc/06/99/96/1079069996.db2.gz SBLGNTMWUKWSPL-HNNXBMFYSA-N 1 2 404.467 0.773 20 0 HCADLO COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1NC(C)=O ZINC000621637444 1079070013 /nfs/dbraw/zinc/07/00/13/1079070013.db2.gz SBLGNTMWUKWSPL-OAHLLOKOSA-N 1 2 404.467 0.773 20 0 HCADLO O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621637446 1079070104 /nfs/dbraw/zinc/07/01/04/1079070104.db2.gz SHPQJYDQNCWWDZ-INIZCTEOSA-N 1 2 403.483 0.037 20 0 HCADLO O=C(NCCCN1CCc2ccccc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621637530 1079070039 /nfs/dbraw/zinc/07/00/39/1079070039.db2.gz QWWXFBVATYDLSI-IBGZPJMESA-N 1 2 400.523 0.736 20 0 HCADLO NC(=O)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2CC2)cc1 ZINC000621637531 1079070141 /nfs/dbraw/zinc/07/01/41/1079070141.db2.gz QYXVLJYUNLGSOW-GOSISDBHSA-N 1 2 414.506 0.457 20 0 HCADLO NC(=O)c1ccc(CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2CC2)cc1 ZINC000621637532 1079070079 /nfs/dbraw/zinc/07/00/79/1079070079.db2.gz QYXVLJYUNLGSOW-SFHVURJKSA-N 1 2 414.506 0.457 20 0 HCADLO COc1cc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1 ZINC000621637671 1079070546 /nfs/dbraw/zinc/07/05/46/1079070546.db2.gz XMEWRRVBXHTTEK-KRWDZBQOSA-N 1 2 405.495 0.843 20 0 HCADLO COc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1 ZINC000621637672 1079070645 /nfs/dbraw/zinc/07/06/45/1079070645.db2.gz XMEWRRVBXHTTEK-QGZVFWFLSA-N 1 2 405.495 0.843 20 0 HCADLO CC(C)NC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621638202 1079070580 /nfs/dbraw/zinc/07/05/80/1079070580.db2.gz FYVJYZUULBYJOI-SFHVURJKSA-N 1 2 416.522 0.873 20 0 HCADLO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCc2ccccc21 ZINC000621638203 1079070390 /nfs/dbraw/zinc/07/03/90/1079070390.db2.gz GSBJAUOVUVNGFT-HKUYNNGSSA-N 1 2 400.523 0.735 20 0 HCADLO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCc2ccccc21 ZINC000621638204 1079070447 /nfs/dbraw/zinc/07/04/47/1079070447.db2.gz GSBJAUOVUVNGFT-IEBWSBKVSA-N 1 2 400.523 0.735 20 0 HCADLO C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCc2ccccc21 ZINC000621638205 1079070525 /nfs/dbraw/zinc/07/05/25/1079070525.db2.gz GSBJAUOVUVNGFT-MJGOQNOKSA-N 1 2 400.523 0.735 20 0 HCADLO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCc2ccccc21 ZINC000621638206 1079070660 /nfs/dbraw/zinc/07/06/60/1079070660.db2.gz GSBJAUOVUVNGFT-PKOBYXMFSA-N 1 2 400.523 0.735 20 0 HCADLO CC(C)(C)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621638210 1079070411 /nfs/dbraw/zinc/07/04/11/1079070411.db2.gz JCEMMGTWIZVDHI-KRWDZBQOSA-N 1 2 408.543 0.274 20 0 HCADLO CC(C)(C)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621638211 1079070868 /nfs/dbraw/zinc/07/08/68/1079070868.db2.gz JCEMMGTWIZVDHI-QGZVFWFLSA-N 1 2 408.543 0.274 20 0 HCADLO CCC(CC)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621638235 1079071090 /nfs/dbraw/zinc/07/10/90/1079071090.db2.gz SOLGDWRYDPMDMD-GOSISDBHSA-N 1 2 408.543 0.274 20 0 HCADLO CCC(CC)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621638236 1079071017 /nfs/dbraw/zinc/07/10/17/1079071017.db2.gz SOLGDWRYDPMDMD-SFHVURJKSA-N 1 2 408.543 0.274 20 0 HCADLO COCC(=O)Nc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000621638242 1079071077 /nfs/dbraw/zinc/07/10/77/1079071077.db2.gz UBDCIFZDXFFYTM-KRWDZBQOSA-N 1 2 418.494 0.068 20 0 HCADLO CN(C)C(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000621638585 1079070427 /nfs/dbraw/zinc/07/04/27/1079070427.db2.gz BGHGVJBKJJYLQG-GOSISDBHSA-N 1 2 402.495 0.185 20 0 HCADLO CN(C)C(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000621638586 1079070477 /nfs/dbraw/zinc/07/04/77/1079070477.db2.gz BGHGVJBKJJYLQG-SFHVURJKSA-N 1 2 402.495 0.185 20 0 HCADLO O=C(NCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621638640 1079071063 /nfs/dbraw/zinc/07/10/63/1079071063.db2.gz VQFJSXBLXBJDSB-HNNXBMFYSA-N 1 2 423.897 0.908 20 0 HCADLO O=C(NCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621638641 1079070907 /nfs/dbraw/zinc/07/09/07/1079070907.db2.gz VQFJSXBLXBJDSB-OAHLLOKOSA-N 1 2 423.897 0.908 20 0 HCADLO CN(CC(=O)N(C)C1CCCCC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621638658 1079070965 /nfs/dbraw/zinc/07/09/65/1079070965.db2.gz BZYFYRZEQJXGID-KRWDZBQOSA-N 1 2 408.543 0.417 20 0 HCADLO CN(CC(=O)N(C)C1CCCCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621638659 1079071039 /nfs/dbraw/zinc/07/10/39/1079071039.db2.gz BZYFYRZEQJXGID-QGZVFWFLSA-N 1 2 408.543 0.417 20 0 HCADLO CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621638724 1079071106 /nfs/dbraw/zinc/07/11/06/1079071106.db2.gz UEMBDNXLNWOUAD-GOSISDBHSA-N 1 2 408.543 0.273 20 0 HCADLO CC(C)N(C)C(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621638725 1079070888 /nfs/dbraw/zinc/07/08/88/1079070888.db2.gz UEMBDNXLNWOUAD-SFHVURJKSA-N 1 2 408.543 0.273 20 0 HCADLO O=C(NCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000621638726 1079070850 /nfs/dbraw/zinc/07/08/50/1079070850.db2.gz UFXPDIVMJKZWGX-OAHLLOKOSA-N 1 2 422.913 0.367 20 0 HCADLO COCCOc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621638739 1079071006 /nfs/dbraw/zinc/07/10/06/1079071006.db2.gz WBXZSEFINSRJET-SFHVURJKSA-N 1 2 405.495 0.509 20 0 HCADLO CC(C)(C)C(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621639601 1079071027 /nfs/dbraw/zinc/07/10/27/1079071027.db2.gz AYANWEBMSRRCOR-INIZCTEOSA-N 1 2 408.543 0.320 20 0 HCADLO CC(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621639602 1079071098 /nfs/dbraw/zinc/07/10/98/1079071098.db2.gz AYANWEBMSRRCOR-MRXNPFEDSA-N 1 2 408.543 0.320 20 0 HCADLO O=C(NCc1cccc(N2CCCC2=O)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621639660 1079070926 /nfs/dbraw/zinc/07/09/26/1079070926.db2.gz KNLZCZQPKOPBHL-SFHVURJKSA-N 1 2 414.506 0.610 20 0 HCADLO CCCNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000621639678 1079071054 /nfs/dbraw/zinc/07/10/54/1079071054.db2.gz MPCOBDHVDAECRQ-QGZVFWFLSA-N 1 2 402.495 0.946 20 0 HCADLO NC(=O)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621639709 1079070978 /nfs/dbraw/zinc/07/09/78/1079070978.db2.gz PVZVNJTUJXQEAB-HNNXBMFYSA-N 1 2 404.467 0.060 20 0 HCADLO NC(=O)CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621639710 1079070942 /nfs/dbraw/zinc/07/09/42/1079070942.db2.gz PVZVNJTUJXQEAB-OAHLLOKOSA-N 1 2 404.467 0.060 20 0 HCADLO CCNC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621639745 1079072309 /nfs/dbraw/zinc/07/23/09/1079072309.db2.gz WPUXTWFPFUBRGP-SFHVURJKSA-N 1 2 402.495 0.233 20 0 HCADLO O=C(CC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)N1CCCC1 ZINC000621639768 1079070129 /nfs/dbraw/zinc/07/01/29/1079070129.db2.gz DVXNNPODCRCVBC-LJQANCHMSA-N 1 2 420.554 0.418 20 0 HCADLO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000621640685 1079072358 /nfs/dbraw/zinc/07/23/58/1079072358.db2.gz CLHCXAMHCBQUBX-DZGCQCFKSA-N 1 2 401.467 0.626 20 0 HCADLO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000621640690 1079072412 /nfs/dbraw/zinc/07/24/12/1079072412.db2.gz CLHCXAMHCBQUBX-HIFRSBDPSA-N 1 2 401.467 0.626 20 0 HCADLO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000621640692 1079072376 /nfs/dbraw/zinc/07/23/76/1079072376.db2.gz CLHCXAMHCBQUBX-UKRRQHHQSA-N 1 2 401.467 0.626 20 0 HCADLO O=C(Nc1ccc(CN2CCCC2=O)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621640821 1079072839 /nfs/dbraw/zinc/07/28/39/1079072839.db2.gz ZACPXRBIZNXANY-GOSISDBHSA-N 1 2 414.506 0.928 20 0 HCADLO O=C(Nc1ccc(CN2CCCC2=O)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621640822 1079072890 /nfs/dbraw/zinc/07/28/90/1079072890.db2.gz ZACPXRBIZNXANY-SFHVURJKSA-N 1 2 414.506 0.928 20 0 HCADLO O=C(NC1CC1)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000621640823 1079072765 /nfs/dbraw/zinc/07/27/65/1079072765.db2.gz ZKWNLQWNHRKGBO-SFHVURJKSA-N 1 2 414.506 0.376 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000621640951 1079072848 /nfs/dbraw/zinc/07/28/48/1079072848.db2.gz BZJIBZMFACVNFA-KRWDZBQOSA-N 1 2 416.526 0.111 20 0 HCADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000621640952 1079072882 /nfs/dbraw/zinc/07/28/82/1079072882.db2.gz BZJIBZMFACVNFA-QGZVFWFLSA-N 1 2 416.526 0.111 20 0 HCADLO COc1cccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1OC ZINC000621640983 1079072864 /nfs/dbraw/zinc/07/28/64/1079072864.db2.gz GMCUIXSDGOXIFB-KRWDZBQOSA-N 1 2 405.495 0.543 20 0 HCADLO COc1cccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1OC ZINC000621640984 1079072875 /nfs/dbraw/zinc/07/28/75/1079072875.db2.gz GMCUIXSDGOXIFB-QGZVFWFLSA-N 1 2 405.495 0.543 20 0 HCADLO COCCOCc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000621641023 1079072711 /nfs/dbraw/zinc/07/27/11/1079072711.db2.gz LZFWFZYUVJUNQN-GOSISDBHSA-N 1 2 405.495 0.969 20 0 HCADLO CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621641055 1079072326 /nfs/dbraw/zinc/07/23/26/1079072326.db2.gz QUIOSKXNIIYUCW-HNNXBMFYSA-N 1 2 424.523 0.567 20 0 HCADLO NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000621641891 1079072732 /nfs/dbraw/zinc/07/27/32/1079072732.db2.gz AAUUNESNTFDZSI-UHFFFAOYSA-N 1 2 419.503 0.936 20 0 HCADLO CCC(CC)C(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621641898 1079072696 /nfs/dbraw/zinc/07/26/96/1079072696.db2.gz DPXRZWOSRZKUGZ-GOSISDBHSA-N 1 2 422.570 0.711 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ncccc2Cl)CC1 ZINC000621641921 1079072820 /nfs/dbraw/zinc/07/28/20/1079072820.db2.gz LUZOVFYFDSDLGW-INIZCTEOSA-N 1 2 421.929 0.564 20 0 HCADLO CCCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621642859 1079072746 /nfs/dbraw/zinc/07/27/46/1079072746.db2.gz AYIGBUHHYRKYDK-QGZVFWFLSA-N 1 2 402.495 0.946 20 0 HCADLO O=C(Nc1cccc(N2CCOCC2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621642868 1079072674 /nfs/dbraw/zinc/07/26/74/1079072674.db2.gz FGGYJZRHIOMGPR-QGZVFWFLSA-N 1 2 402.495 0.642 20 0 HCADLO CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000621642875 1079072781 /nfs/dbraw/zinc/07/27/81/1079072781.db2.gz GOTRWKZHSZZIFY-GOSISDBHSA-N 1 2 414.506 0.710 20 0 HCADLO CN(CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1F ZINC000621642899 1079072803 /nfs/dbraw/zinc/07/28/03/1079072803.db2.gz MLGJDYLZZJDVDV-QGZVFWFLSA-N 1 2 406.502 0.949 20 0 HCADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000621646895 1079073202 /nfs/dbraw/zinc/07/32/02/1079073202.db2.gz XAAFZMCEENCZJV-AWEZNQCLSA-N 1 2 408.886 0.575 20 0 HCADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000621648036 1079073191 /nfs/dbraw/zinc/07/31/91/1079073191.db2.gz BKKOHRNRHPNSPH-LJQANCHMSA-N 1 2 416.522 0.638 20 0 HCADLO COc1ccc(OC)c(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000621648229 1079073173 /nfs/dbraw/zinc/07/31/73/1079073173.db2.gz ZIULMRPVXJZWBV-KRWDZBQOSA-N 1 2 405.495 0.543 20 0 HCADLO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621650547 1079073180 /nfs/dbraw/zinc/07/31/80/1079073180.db2.gz FAGVQUOOJZDVKX-MSOLQXFVSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621650548 1079073207 /nfs/dbraw/zinc/07/32/07/1079073207.db2.gz FAGVQUOOJZDVKX-QZTJIDSGSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621650549 1079073094 /nfs/dbraw/zinc/07/30/94/1079073094.db2.gz FAGVQUOOJZDVKX-ROUUACIJSA-N 1 2 418.513 0.949 20 0 HCADLO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621650550 1079073124 /nfs/dbraw/zinc/07/31/24/1079073124.db2.gz FAGVQUOOJZDVKX-ZWKOTPCHSA-N 1 2 418.513 0.949 20 0 HCADLO COc1ccc(OCCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621650584 1079073222 /nfs/dbraw/zinc/07/32/22/1079073222.db2.gz QAQOMIVEBPABGB-KRWDZBQOSA-N 1 2 405.495 0.761 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000621651442 1079073198 /nfs/dbraw/zinc/07/31/98/1079073198.db2.gz JOCKHEMQBJKBIC-INIZCTEOSA-N 1 2 421.929 0.564 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCN(c2nccs2)CC1 ZINC000621651498 1079073111 /nfs/dbraw/zinc/07/31/11/1079073111.db2.gz SIAUWFIEQSAYAW-INIZCTEOSA-N 1 2 407.540 0.363 20 0 HCADLO Cc1cccc(C)c1OC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621651524 1079073141 /nfs/dbraw/zinc/07/31/41/1079073141.db2.gz XRXBMBKQEBXPIZ-MOPGFXCFSA-N 1 2 419.522 0.340 20 0 HCADLO Cc1cccc(C)c1OC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621651525 1079073235 /nfs/dbraw/zinc/07/32/35/1079073235.db2.gz XRXBMBKQEBXPIZ-OALUTQOASA-N 1 2 419.522 0.340 20 0 HCADLO Cc1cccc(C)c1OC[C@H](O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621651526 1079073710 /nfs/dbraw/zinc/07/37/10/1079073710.db2.gz XRXBMBKQEBXPIZ-RBUKOAKNSA-N 1 2 419.522 0.340 20 0 HCADLO Cc1cccc(C)c1OC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621651527 1079073541 /nfs/dbraw/zinc/07/35/41/1079073541.db2.gz XRXBMBKQEBXPIZ-RTBURBONSA-N 1 2 419.522 0.340 20 0 HCADLO CCn1c(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nc2ccccc21 ZINC000621652486 1079073571 /nfs/dbraw/zinc/07/35/71/1079073571.db2.gz HSSWHQRAWJOPEL-KRWDZBQOSA-N 1 2 413.522 0.896 20 0 HCADLO CCNC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000621652539 1079073557 /nfs/dbraw/zinc/07/35/57/1079073557.db2.gz WIJANUJCWDGRPK-OAHLLOKOSA-N 1 2 403.483 0.947 20 0 HCADLO COc1ccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(OC)c1 ZINC000621653541 1079073643 /nfs/dbraw/zinc/07/36/43/1079073643.db2.gz RKDKYLLNFQQCEP-KRWDZBQOSA-N 1 2 405.495 0.543 20 0 HCADLO CS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000621665416 1079072400 /nfs/dbraw/zinc/07/24/00/1079072400.db2.gz LJJVEGDWLZEAOX-INIZCTEOSA-N 1 2 409.508 0.350 20 0 HCADLO CC(C)NS(=O)(=O)CCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000621768082 1079076038 /nfs/dbraw/zinc/07/60/38/1079076038.db2.gz WLQFXEOPGDIMSA-UHFFFAOYSA-N 1 2 411.528 0.524 20 0 HCADLO COc1ccc(OC)c(CN2CC[NH+]([C@@H](C)C(=O)N3CCC(C(N)=O)CC3)CC2)c1 ZINC000621865961 1079079567 /nfs/dbraw/zinc/07/95/67/1079079567.db2.gz CFGPOALFSXXAFR-INIZCTEOSA-N 1 2 418.538 0.934 20 0 HCADLO COc1ccc(OC)c(CN2CC[NH+]([C@H](C)C(=O)N3CCC(C(N)=O)CC3)CC2)c1 ZINC000621865962 1079079510 /nfs/dbraw/zinc/07/95/10/1079079510.db2.gz CFGPOALFSXXAFR-MRXNPFEDSA-N 1 2 418.538 0.934 20 0 HCADLO COc1ccc(OC)c(CN2CC[NH+]([C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)c1 ZINC000621866263 1079079446 /nfs/dbraw/zinc/07/94/46/1079079446.db2.gz OXYRHFYHQQNYAN-DLBZAZTESA-N 1 2 418.538 0.934 20 0 HCADLO COc1ccc(OC)c(CN2CC[NH+]([C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)c1 ZINC000621866264 1079079424 /nfs/dbraw/zinc/07/94/24/1079079424.db2.gz OXYRHFYHQQNYAN-IAGOWNOFSA-N 1 2 418.538 0.934 20 0 HCADLO COc1ccc(OC)c(CN2CC[NH+]([C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)c1 ZINC000621866265 1079079556 /nfs/dbraw/zinc/07/95/56/1079079556.db2.gz OXYRHFYHQQNYAN-IRXDYDNUSA-N 1 2 418.538 0.934 20 0 HCADLO COc1ccc(OC)c(CN2CC[NH+]([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)c1 ZINC000621866266 1079079592 /nfs/dbraw/zinc/07/95/92/1079079592.db2.gz OXYRHFYHQQNYAN-SJORKVTESA-N 1 2 418.538 0.934 20 0 HCADLO COc1ccc(OC)c(CN2CC[NH+]([C@@H](C)C(=O)N3CCN(C(C)=O)CC3)CC2)c1 ZINC000621866361 1079079602 /nfs/dbraw/zinc/07/96/02/1079079602.db2.gz SQULNOSDLWSVLS-KRWDZBQOSA-N 1 2 418.538 0.901 20 0 HCADLO COc1ccc(OC)c(CN2CC[NH+]([C@H](C)C(=O)N3CCN(C(C)=O)CC3)CC2)c1 ZINC000621866362 1079079542 /nfs/dbraw/zinc/07/95/42/1079079542.db2.gz SQULNOSDLWSVLS-QGZVFWFLSA-N 1 2 418.538 0.901 20 0 HCADLO CCN(CC)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000622064358 1079088812 /nfs/dbraw/zinc/08/88/12/1079088812.db2.gz ADUZLIDZEWKGGY-GOSISDBHSA-N 1 2 408.543 0.274 20 0 HCADLO CC(C)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000622065633 1079088801 /nfs/dbraw/zinc/08/88/01/1079088801.db2.gz BCYUZSKWFLGFEZ-INIZCTEOSA-N 1 2 417.506 0.990 20 0 HCADLO COc1cccc(C(=O)N2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)c1OC ZINC000622090982 1079089666 /nfs/dbraw/zinc/08/96/66/1079089666.db2.gz KATCGZCBVLXDIO-MRXNPFEDSA-N 1 2 420.510 0.892 20 0 HCADLO Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)CC2 ZINC000622161491 1079097506 /nfs/dbraw/zinc/09/75/06/1079097506.db2.gz FTZPFUWTQPWVLB-UHFFFAOYSA-N 1 2 405.462 0.910 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)NC3CCCC3)c2)CC1 ZINC000622243243 1079100399 /nfs/dbraw/zinc/10/03/99/1079100399.db2.gz DKGFWKDXAJZUCU-UHFFFAOYSA-N 1 2 401.511 0.548 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)NC2CCCC2)CC1 ZINC000622243523 1079100892 /nfs/dbraw/zinc/10/08/92/1079100892.db2.gz QLDBHOUSLWKCAD-UHFFFAOYSA-N 1 2 415.494 0.188 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(=O)NC3CCCC3)cc2)CC1 ZINC000622243589 1079100852 /nfs/dbraw/zinc/10/08/52/1079100852.db2.gz TYLVYRKIIUMKSG-UHFFFAOYSA-N 1 2 415.538 0.938 20 0 HCADLO O=C(c1cc(F)c(N2CCOCC2)c(F)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000622385817 1079108396 /nfs/dbraw/zinc/10/83/96/1079108396.db2.gz DBCNOEBLXJACJH-UHFFFAOYSA-N 1 2 406.437 0.851 20 0 HCADLO COCCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc21 ZINC000622400728 1079109320 /nfs/dbraw/zinc/10/93/20/1079109320.db2.gz WLRMHXMKXKVQBK-KRWDZBQOSA-N 1 2 415.494 0.802 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000622426838 1079112082 /nfs/dbraw/zinc/11/20/82/1079112082.db2.gz UGZDAEKOOVSKHE-UHFFFAOYSA-N 1 2 409.512 0.231 20 0 HCADLO CN1CC[C@@H](C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)S1(=O)=O ZINC000622446510 1079112462 /nfs/dbraw/zinc/11/24/62/1079112462.db2.gz GLBYOYNYVCYGGV-INIZCTEOSA-N 1 2 400.932 0.612 20 0 HCADLO CN1CC[C@H](C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)S1(=O)=O ZINC000622446511 1079112592 /nfs/dbraw/zinc/11/25/92/1079112592.db2.gz GLBYOYNYVCYGGV-MRXNPFEDSA-N 1 2 400.932 0.612 20 0 HCADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000622458851 1079111882 /nfs/dbraw/zinc/11/18/82/1079111882.db2.gz LVWVLOCNHMVHKQ-UHFFFAOYSA-N 1 2 410.540 0.866 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(CC(F)F)CC2)CC1 ZINC000622482429 1079114081 /nfs/dbraw/zinc/11/40/81/1079114081.db2.gz SQKHVRYYNCRPCS-UHFFFAOYSA-N 1 2 423.464 0.422 20 0 HCADLO C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1O)[NH+]1CCN(c2ccccc2)CC1 ZINC000622504666 1079116257 /nfs/dbraw/zinc/11/62/57/1079116257.db2.gz YGMGPBBLFGYVOY-HNNXBMFYSA-N 1 2 418.519 0.980 20 0 HCADLO C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1O)[NH+]1CCN(c2ccccc2)CC1 ZINC000622504667 1079116389 /nfs/dbraw/zinc/11/63/89/1079116389.db2.gz YGMGPBBLFGYVOY-OAHLLOKOSA-N 1 2 418.519 0.980 20 0 HCADLO CCOC1CC(CNC(=O)c2ccc(-n3nnnc3C)cc2)([NH+]2CCOCC2)C1 ZINC000622559272 1079119531 /nfs/dbraw/zinc/11/95/31/1079119531.db2.gz MFHJUKHYRCAUPW-UHFFFAOYSA-N 1 2 400.483 0.970 20 0 HCADLO CC(C)NS(=O)(=O)N1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000622685399 1079124828 /nfs/dbraw/zinc/12/48/28/1079124828.db2.gz SLKHLJMUKCOQQQ-UHFFFAOYSA-N 1 2 412.560 0.019 20 0 HCADLO CN(C)C(=O)COc1ccccc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000622689364 1079125859 /nfs/dbraw/zinc/12/58/59/1079125859.db2.gz CODUVGMEWMRBDI-UHFFFAOYSA-N 1 2 405.495 0.765 20 0 HCADLO CC1CCC(NS(=O)(=O)CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000622689743 1079126553 /nfs/dbraw/zinc/12/65/53/1079126553.db2.gz QSKMRBTTXAGXMC-UHFFFAOYSA-N 1 2 417.572 0.482 20 0 HCADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(CN2CCOCC2)cn1 ZINC000622690462 1079125991 /nfs/dbraw/zinc/12/59/91/1079125991.db2.gz UEQACVTUGWUOQQ-UHFFFAOYSA-N 1 2 404.511 0.525 20 0 HCADLO CN(CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000622785670 1079129647 /nfs/dbraw/zinc/12/96/47/1079129647.db2.gz ZNFNWALBOCHNJG-GOSISDBHSA-N 1 2 422.551 0.325 20 0 HCADLO CN(CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000622785671 1079129559 /nfs/dbraw/zinc/12/95/59/1079129559.db2.gz ZNFNWALBOCHNJG-SFHVURJKSA-N 1 2 422.551 0.325 20 0 HCADLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000622821115 1079132272 /nfs/dbraw/zinc/13/22/72/1079132272.db2.gz AGAQUNVJDHOPSP-UHFFFAOYSA-N 1 2 424.523 0.247 20 0 HCADLO CC(=O)NC1CC[NH+](CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 ZINC000622821141 1079132220 /nfs/dbraw/zinc/13/22/20/1079132220.db2.gz ICXCHRFMJKSHFY-UHFFFAOYSA-N 1 2 422.551 0.817 20 0 HCADLO CC(=O)NC1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000622822098 1079132686 /nfs/dbraw/zinc/13/26/86/1079132686.db2.gz RAMHLNXBERWWTC-UHFFFAOYSA-N 1 2 424.523 0.247 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000622875988 1079139107 /nfs/dbraw/zinc/13/91/07/1079139107.db2.gz OLOKQSDFMPWFRF-UHFFFAOYSA-N 1 2 402.476 0.911 20 0 HCADLO CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000622901319 1079144408 /nfs/dbraw/zinc/14/44/08/1079144408.db2.gz KGFYRTVFZDVYIW-FHWLQOOXSA-N 1 2 422.570 0.711 20 0 HCADLO CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000622901320 1079144513 /nfs/dbraw/zinc/14/45/13/1079144513.db2.gz KGFYRTVFZDVYIW-GBESFXJTSA-N 1 2 422.570 0.711 20 0 HCADLO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000622901321 1079144392 /nfs/dbraw/zinc/14/43/92/1079144392.db2.gz KGFYRTVFZDVYIW-IPMKNSEASA-N 1 2 422.570 0.711 20 0 HCADLO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000622901322 1079144437 /nfs/dbraw/zinc/14/44/37/1079144437.db2.gz KGFYRTVFZDVYIW-OTWHNJEPSA-N 1 2 422.570 0.711 20 0 HCADLO CCS(=O)(=O)NCCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000622917596 1079152871 /nfs/dbraw/zinc/15/28/71/1079152871.db2.gz JOAARJIDWBWHHG-UHFFFAOYSA-N 1 2 411.528 0.525 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCc2nccs2)CC1 ZINC000622971003 1079163410 /nfs/dbraw/zinc/16/34/10/1079163410.db2.gz PQCLTBBDMJOZPS-UHFFFAOYSA-N 1 2 401.492 0.828 20 0 HCADLO COc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)n1 ZINC000623036517 1079167254 /nfs/dbraw/zinc/16/72/54/1079167254.db2.gz UUVGGYBYZTXTOY-UHFFFAOYSA-N 1 2 411.462 0.733 20 0 HCADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000623049897 1079167900 /nfs/dbraw/zinc/16/79/00/1079167900.db2.gz GVWRFYJSCOMSMP-INIZCTEOSA-N 1 2 416.522 0.688 20 0 HCADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000623049898 1079167815 /nfs/dbraw/zinc/16/78/15/1079167815.db2.gz GVWRFYJSCOMSMP-MRXNPFEDSA-N 1 2 416.522 0.688 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000623050042 1079168348 /nfs/dbraw/zinc/16/83/48/1079168348.db2.gz WNSUHGJOEJOJQC-KRWDZBQOSA-N 1 2 416.522 0.655 20 0 HCADLO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000623050043 1079168405 /nfs/dbraw/zinc/16/84/05/1079168405.db2.gz WNSUHGJOEJOJQC-QGZVFWFLSA-N 1 2 416.522 0.655 20 0 HCADLO O=C(Cn1cc(Br)cn1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623100400 1079173851 /nfs/dbraw/zinc/17/38/51/1079173851.db2.gz FLHOVBHRSPMNDN-UHFFFAOYSA-N 1 2 421.299 0.896 20 0 HCADLO CC(C)CS(=O)(=O)CCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623100413 1079173886 /nfs/dbraw/zinc/17/38/86/1079173886.db2.gz IGRKRFNLSUVMAT-UHFFFAOYSA-N 1 2 410.540 0.697 20 0 HCADLO O=C(CCS(=O)(=O)C1CCCC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623100455 1079173799 /nfs/dbraw/zinc/17/37/99/1079173799.db2.gz QMGLTDFWGKRCIY-UHFFFAOYSA-N 1 2 422.551 0.984 20 0 HCADLO COCCn1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1=O ZINC000623100460 1079173834 /nfs/dbraw/zinc/17/38/34/1079173834.db2.gz SBZJDPJMPVIGRM-UHFFFAOYSA-N 1 2 413.478 0.358 20 0 HCADLO COCCOc1ncccc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623100478 1079173634 /nfs/dbraw/zinc/17/36/34/1079173634.db2.gz VPQFLZDXZUJCLL-UHFFFAOYSA-N 1 2 413.478 0.971 20 0 HCADLO O=C(CCNC(=O)c1cccnc1N1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000623100496 1079173604 /nfs/dbraw/zinc/17/36/04/1079173604.db2.gz YYEGNYRXIXOYIU-UHFFFAOYSA-N 1 2 424.505 0.782 20 0 HCADLO Cc1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1-n1cnnn1 ZINC000623101026 1079173518 /nfs/dbraw/zinc/17/35/18/1079173518.db2.gz BCKGXWULPJAWRP-UHFFFAOYSA-N 1 2 420.477 0.834 20 0 HCADLO O=C(CCCN1C(=O)CCC1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623101055 1079173779 /nfs/dbraw/zinc/17/37/79/1079173779.db2.gz LRDMJJFTXZTBAN-UHFFFAOYSA-N 1 2 401.467 0.166 20 0 HCADLO CC(C)(C)N1C[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000623101079 1079173744 /nfs/dbraw/zinc/17/37/44/1079173744.db2.gz QMRFRKDXPWCHCL-INIZCTEOSA-N 1 2 401.511 0.884 20 0 HCADLO CC(C)(C)N1C[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000623101080 1079173684 /nfs/dbraw/zinc/17/36/84/1079173684.db2.gz QMRFRKDXPWCHCL-MRXNPFEDSA-N 1 2 401.511 0.884 20 0 HCADLO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623101260 1079174406 /nfs/dbraw/zinc/17/44/06/1079174406.db2.gz DLQBSZYLAFENBY-MRXNPFEDSA-N 1 2 423.539 0.051 20 0 HCADLO O=C(Cn1nnc2ccccc2c1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623101297 1079174431 /nfs/dbraw/zinc/17/44/31/1079174431.db2.gz IYMUGBCESUHBRP-UHFFFAOYSA-N 1 2 421.461 0.042 20 0 HCADLO O=C(CCNC(=O)[C@@]12CCC(=O)N1CCS2)N1CCN(c2cccc[nH+]2)CC1 ZINC000623101328 1079174420 /nfs/dbraw/zinc/17/44/20/1079174420.db2.gz KQVKKWHMPZWQDB-IBGZPJMESA-N 1 2 403.508 0.302 20 0 HCADLO O=C(CCNC(=O)[C@]12CCC(=O)N1CCS2)N1CCN(c2cccc[nH+]2)CC1 ZINC000623101332 1079174484 /nfs/dbraw/zinc/17/44/84/1079174484.db2.gz KQVKKWHMPZWQDB-LJQANCHMSA-N 1 2 403.508 0.302 20 0 HCADLO CS(=O)(=O)c1ccccc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623101335 1079174514 /nfs/dbraw/zinc/17/45/14/1079174514.db2.gz KXLRHOKGOYKGGP-UHFFFAOYSA-N 1 2 416.503 0.954 20 0 HCADLO O=C(CCNC(=O)c1cnc2sccn2c1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623101362 1079174382 /nfs/dbraw/zinc/17/43/82/1079174382.db2.gz NLRQWKPBQCPYAD-UHFFFAOYSA-N 1 2 412.475 0.620 20 0 HCADLO Cn1c2ccccc2n(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC000623101396 1079174357 /nfs/dbraw/zinc/17/43/57/1079174357.db2.gz SIQHSLKHOBJIGM-UHFFFAOYSA-N 1 2 422.489 0.590 20 0 HCADLO O=C(CCNC(=O)c1cccc(-n2cnnn2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000623101815 1079174400 /nfs/dbraw/zinc/17/44/00/1079174400.db2.gz BYYIGSKGUHKMBU-UHFFFAOYSA-N 1 2 406.450 0.526 20 0 HCADLO Cc1ccccc1C(=O)NCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623133066 1079179591 /nfs/dbraw/zinc/17/95/91/1079179591.db2.gz AKSZOMJCTGXPDD-UHFFFAOYSA-N 1 2 409.490 0.975 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000623153656 1079187495 /nfs/dbraw/zinc/18/74/95/1079187495.db2.gz LBBOQPXTNRIHEY-QGZVFWFLSA-N 1 2 404.515 0.140 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000623153753 1079187372 /nfs/dbraw/zinc/18/73/72/1079187372.db2.gz VXHAZOPPPUWRER-GOSISDBHSA-N 1 2 403.527 0.745 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000623153754 1079187386 /nfs/dbraw/zinc/18/73/86/1079187386.db2.gz VXHAZOPPPUWRER-SFHVURJKSA-N 1 2 403.527 0.745 20 0 HCADLO O=C(CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCCC1 ZINC000623157128 1079188323 /nfs/dbraw/zinc/18/83/23/1079188323.db2.gz RYEWXSRXPPPKQR-UHFFFAOYSA-N 1 2 402.499 0.478 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000623157944 1079180769 /nfs/dbraw/zinc/18/07/69/1079180769.db2.gz AGVZJBMJQKXBFF-UHFFFAOYSA-N 1 2 414.514 0.988 20 0 HCADLO CC(=O)NC1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000623159215 1079181567 /nfs/dbraw/zinc/18/15/67/1079181567.db2.gz WNIQUQHZRNOXSB-UHFFFAOYSA-N 1 2 402.499 0.430 20 0 HCADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000623172310 1079191186 /nfs/dbraw/zinc/19/11/86/1079191186.db2.gz QRHKTWOQQWRKBQ-GOSISDBHSA-N 1 2 400.527 0.952 20 0 HCADLO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC000623172702 1079190646 /nfs/dbraw/zinc/19/06/46/1079190646.db2.gz KRAWSYJFOBIVKV-UHFFFAOYSA-N 1 2 416.522 0.519 20 0 HCADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000623186669 1079194943 /nfs/dbraw/zinc/19/49/43/1079194943.db2.gz RKSRRUAPTCAEEQ-UHFFFAOYSA-N 1 2 417.491 0.481 20 0 HCADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000623213570 1079199863 /nfs/dbraw/zinc/19/98/63/1079199863.db2.gz AEJXZGMVBJYDGC-UHFFFAOYSA-N 1 2 407.496 0.192 20 0 HCADLO O=C(CCCn1cc[nH+]c1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000623258092 1079202524 /nfs/dbraw/zinc/20/25/24/1079202524.db2.gz IPCYZVWRMYJBPU-UHFFFAOYSA-N 1 2 406.512 0.327 20 0 HCADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2Cc2ccco2)CC1 ZINC000623417160 1079219752 /nfs/dbraw/zinc/21/97/52/1079219752.db2.gz UYOKIKDZWBCWMD-AWEZNQCLSA-N 1 2 420.539 0.982 20 0 HCADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2Cc2ccco2)CC1 ZINC000623417161 1079219988 /nfs/dbraw/zinc/21/99/88/1079219988.db2.gz UYOKIKDZWBCWMD-CQSZACIVSA-N 1 2 420.539 0.982 20 0 HCADLO COc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1NC(C)=O ZINC000623748365 1079254627 /nfs/dbraw/zinc/25/46/27/1079254627.db2.gz KLPXPLLKVHKFEL-KRWDZBQOSA-N 1 2 418.494 0.451 20 0 HCADLO COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1NC(C)=O ZINC000623748366 1079254483 /nfs/dbraw/zinc/25/44/83/1079254483.db2.gz KLPXPLLKVHKFEL-QGZVFWFLSA-N 1 2 418.494 0.451 20 0 HCADLO CS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000623748371 1079254577 /nfs/dbraw/zinc/25/45/77/1079254577.db2.gz NJTXRXSXKDHTJG-GOSISDBHSA-N 1 2 423.535 0.028 20 0 HCADLO CS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000623748372 1079254462 /nfs/dbraw/zinc/25/44/62/1079254462.db2.gz NJTXRXSXKDHTJG-SFHVURJKSA-N 1 2 423.535 0.028 20 0 HCADLO CS(=O)(=O)N1CCN(CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000623768748 1079262808 /nfs/dbraw/zinc/26/28/08/1079262808.db2.gz UDTDWTRKZZCJHH-UHFFFAOYSA-N 1 2 415.585 0.153 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C ZINC000623771449 1079264767 /nfs/dbraw/zinc/26/47/67/1079264767.db2.gz UVHRTVIQWARHRU-UHFFFAOYSA-N 1 2 413.544 0.426 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000623803557 1079270531 /nfs/dbraw/zinc/27/05/31/1079270531.db2.gz RUPGGOOSIBCHRO-KBPBESRZSA-N 1 2 420.491 0.842 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000623803559 1079270553 /nfs/dbraw/zinc/27/05/53/1079270553.db2.gz RUPGGOOSIBCHRO-UONOGXRCSA-N 1 2 420.491 0.842 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000623805080 1079270468 /nfs/dbraw/zinc/27/04/68/1079270468.db2.gz SCNWXLKIRXUJJU-SWLSCSKDSA-N 1 2 405.480 0.640 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000623805081 1079270374 /nfs/dbraw/zinc/27/03/74/1079270374.db2.gz SCNWXLKIRXUJJU-WFASDCNBSA-N 1 2 405.480 0.640 20 0 HCADLO NS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000623837281 1079273378 /nfs/dbraw/zinc/27/33/78/1079273378.db2.gz UQXJYBHGIDXCGG-GOSISDBHSA-N 1 2 419.503 0.730 20 0 HCADLO NS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000623837281 1079273368 /nfs/dbraw/zinc/27/33/68/1079273368.db2.gz UQXJYBHGIDXCGG-GOSISDBHSA-N 1 2 419.503 0.730 20 0 HCADLO NS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000623837282 1079273226 /nfs/dbraw/zinc/27/32/26/1079273226.db2.gz UQXJYBHGIDXCGG-SFHVURJKSA-N 1 2 419.503 0.730 20 0 HCADLO NS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000623837282 1079273217 /nfs/dbraw/zinc/27/32/17/1079273217.db2.gz UQXJYBHGIDXCGG-SFHVURJKSA-N 1 2 419.503 0.730 20 0 HCADLO NS(=O)(=O)c1ccc(OCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000623843973 1081299025 /nfs/dbraw/zinc/29/90/25/1081299025.db2.gz ZQENXFWATJGZAL-KRWDZBQOSA-N 1 2 415.537 0.037 20 0 HCADLO NS(=O)(=O)c1ccc(OCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000623843974 1081299068 /nfs/dbraw/zinc/29/90/68/1081299068.db2.gz ZQENXFWATJGZAL-QGZVFWFLSA-N 1 2 415.537 0.037 20 0 HCADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000624026919 1079280340 /nfs/dbraw/zinc/28/03/40/1079280340.db2.gz STTHNZBMGCBIDQ-UHFFFAOYSA-N 1 2 421.523 0.582 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2nncn2c1 ZINC000624037420 1079281978 /nfs/dbraw/zinc/28/19/78/1079281978.db2.gz ASHICYQLYMTFGP-UHFFFAOYSA-N 1 2 415.479 0.006 20 0 HCADLO Cn1c2nnc(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)n2c2ccccc2c1=O ZINC000624334980 1079902040 /nfs/dbraw/zinc/90/20/40/1079902040.db2.gz SPQWYBRTOJVBHU-UHFFFAOYSA-N 1 2 410.478 0.652 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCNC(=O)C(C)(C)C)CC1 ZINC000624438042 1080023675 /nfs/dbraw/zinc/02/36/75/1080023675.db2.gz KCNSBLVRSIHYOP-UHFFFAOYSA-N 1 2 417.510 0.291 20 0 HCADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000624578679 1080046418 /nfs/dbraw/zinc/04/64/18/1080046418.db2.gz DOKNLJTWZDNKID-KRWDZBQOSA-N 1 2 415.604 0.276 20 0 HCADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000624578680 1080046341 /nfs/dbraw/zinc/04/63/41/1080046341.db2.gz DOKNLJTWZDNKID-QGZVFWFLSA-N 1 2 415.604 0.276 20 0 HCADLO Cc1nc(S(=O)(=O)NCCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cn1C ZINC000624581502 1080046875 /nfs/dbraw/zinc/04/68/75/1080046875.db2.gz PCCLYDINFFXFBA-UHFFFAOYSA-N 1 2 421.523 0.868 20 0 HCADLO Cc1nc(S(=O)(=O)NCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cn1C ZINC000624581518 1080047011 /nfs/dbraw/zinc/04/70/11/1080047011.db2.gz VNTJIJVQNLJOEY-UHFFFAOYSA-N 1 2 407.496 0.478 20 0 HCADLO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000624654547 1080062177 /nfs/dbraw/zinc/06/21/77/1080062177.db2.gz AFRSVGMEKUURTL-PBHICJAKSA-N 1 2 401.504 0.966 20 0 HCADLO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000624654547 1080062164 /nfs/dbraw/zinc/06/21/64/1080062164.db2.gz AFRSVGMEKUURTL-PBHICJAKSA-N 1 2 401.504 0.966 20 0 HCADLO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000624654548 1080061933 /nfs/dbraw/zinc/06/19/33/1080061933.db2.gz AFRSVGMEKUURTL-YOEHRIQHSA-N 1 2 401.504 0.966 20 0 HCADLO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000624654548 1080061921 /nfs/dbraw/zinc/06/19/21/1080061921.db2.gz AFRSVGMEKUURTL-YOEHRIQHSA-N 1 2 401.504 0.966 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000624654778 1080062758 /nfs/dbraw/zinc/06/27/58/1080062758.db2.gz OQSGHISEFZMTIH-BBRMVZONSA-N 1 2 414.528 0.529 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000624654778 1080062750 /nfs/dbraw/zinc/06/27/50/1080062750.db2.gz OQSGHISEFZMTIH-BBRMVZONSA-N 1 2 414.528 0.529 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000624654779 1080062467 /nfs/dbraw/zinc/06/24/67/1080062467.db2.gz OQSGHISEFZMTIH-CJNGLKHVSA-N 1 2 414.528 0.529 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000624654779 1080062456 /nfs/dbraw/zinc/06/24/56/1080062456.db2.gz OQSGHISEFZMTIH-CJNGLKHVSA-N 1 2 414.528 0.529 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000624654780 1080062418 /nfs/dbraw/zinc/06/24/18/1080062418.db2.gz OQSGHISEFZMTIH-CZUORRHYSA-N 1 2 414.528 0.529 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000624654780 1080062408 /nfs/dbraw/zinc/06/24/08/1080062408.db2.gz OQSGHISEFZMTIH-CZUORRHYSA-N 1 2 414.528 0.529 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000624654781 1080062607 /nfs/dbraw/zinc/06/26/07/1080062607.db2.gz OQSGHISEFZMTIH-XJKSGUPXSA-N 1 2 414.528 0.529 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000624654781 1080062596 /nfs/dbraw/zinc/06/25/96/1080062596.db2.gz OQSGHISEFZMTIH-XJKSGUPXSA-N 1 2 414.528 0.529 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C(C)C)cc1 ZINC000624654788 1080062710 /nfs/dbraw/zinc/06/27/10/1080062710.db2.gz OYAOCFBICFWQNU-QAPCUYQASA-N 1 2 413.540 0.835 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C(C)C)cc1 ZINC000624654788 1080062699 /nfs/dbraw/zinc/06/26/99/1080062699.db2.gz OYAOCFBICFWQNU-QAPCUYQASA-N 1 2 413.540 0.835 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C(C)C)cc1 ZINC000624654789 1080062546 /nfs/dbraw/zinc/06/25/46/1080062546.db2.gz OYAOCFBICFWQNU-YJBOKZPZSA-N 1 2 413.540 0.835 20 0 HCADLO COc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C(C)C)cc1 ZINC000624654789 1080062535 /nfs/dbraw/zinc/06/25/35/1080062535.db2.gz OYAOCFBICFWQNU-YJBOKZPZSA-N 1 2 413.540 0.835 20 0 HCADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)[NH+]1CCN(C)CC1 ZINC000624765823 1080348059 /nfs/dbraw/zinc/34/80/59/1080348059.db2.gz BMWCVBQQBIWJHL-AWEZNQCLSA-N 1 2 416.494 0.434 20 0 HCADLO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)[NH+]1CCN(C)CC1 ZINC000624765825 1080347888 /nfs/dbraw/zinc/34/78/88/1080347888.db2.gz BMWCVBQQBIWJHL-CQSZACIVSA-N 1 2 416.494 0.434 20 0 HCADLO CC(C)(CNC(=O)Cn1cnc2c(nnn2-c2ccccc2)c1=O)[NH+]1CCOCC1 ZINC000624789766 1080391380 /nfs/dbraw/zinc/39/13/80/1080391380.db2.gz CHLVATIWSJHIIX-UHFFFAOYSA-N 1 2 411.466 0.204 20 0 HCADLO CCn1nc(C)cc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000624864474 1080862370 /nfs/dbraw/zinc/86/23/70/1080862370.db2.gz OAMLWBMVFAOVRR-UHFFFAOYSA-N 1 2 406.512 0.488 20 0 HCADLO O=C1NC2(CCCCC2)C(=O)N1CCCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000642325931 1077744949 /nfs/dbraw/zinc/74/49/49/1077744949.db2.gz UJMIQUMXEVIKKZ-UHFFFAOYSA-N 1 2 412.494 0.935 20 0 HCADLO O=C(CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCOCC1 ZINC000642604291 1080037312 /nfs/dbraw/zinc/03/73/12/1080037312.db2.gz PXQCDQNLWHCPCS-UHFFFAOYSA-N 1 2 401.916 0.895 20 0 HCADLO COc1cc2nc(C(=O)NCC(C)(C)[NH+]3CCOCC3)c(=O)n(C)c2cc1OC ZINC000646558106 1075709075 /nfs/dbraw/zinc/70/90/75/1075709075.db2.gz QDJISNJOTAXUOS-UHFFFAOYSA-N 1 2 404.467 0.791 20 0 HCADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000646679146 1077274995 /nfs/dbraw/zinc/27/49/95/1077274995.db2.gz XMYWEHAOILIDPN-LBPRGKRZSA-N 1 2 418.479 0.473 20 0 HCADLO CN1NN=C2C1=NCC[C@@H]2C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000646762020 1077328412 /nfs/dbraw/zinc/32/84/12/1077328412.db2.gz RTCMLZZRYXYRND-KRWDZBQOSA-N 1 2 400.483 0.238 20 0 HCADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000646809725 1077363407 /nfs/dbraw/zinc/36/34/07/1077363407.db2.gz YMCKGWKMVBTRGX-CQSZACIVSA-N 1 2 404.492 0.588 20 0 HCADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000646809725 1077363401 /nfs/dbraw/zinc/36/34/01/1077363401.db2.gz YMCKGWKMVBTRGX-CQSZACIVSA-N 1 2 404.492 0.588 20 0 HCADLO O=C(NC1(c2noc(C(F)F)n2)CCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000646829869 1077391499 /nfs/dbraw/zinc/39/14/99/1077391499.db2.gz UAFGGMZBVHHVPS-GFCCVEGCSA-N 1 2 413.425 0.683 20 0 HCADLO O=C(NC1(c2noc(C(F)F)n2)CCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000646829870 1077391443 /nfs/dbraw/zinc/39/14/43/1077391443.db2.gz UAFGGMZBVHHVPS-LBPRGKRZSA-N 1 2 413.425 0.683 20 0 HCADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000646833610 1077401951 /nfs/dbraw/zinc/40/19/51/1077401951.db2.gz YMCKGWKMVBTRGX-AWEZNQCLSA-N 1 2 404.492 0.588 20 0 HCADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000646833610 1077401938 /nfs/dbraw/zinc/40/19/38/1077401938.db2.gz YMCKGWKMVBTRGX-AWEZNQCLSA-N 1 2 404.492 0.588 20 0 HCADLO CC(C)[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCOCC1 ZINC000649235820 1079102548 /nfs/dbraw/zinc/10/25/48/1079102548.db2.gz RMBYPZSDJMURPS-HNNXBMFYSA-N 1 2 403.570 0.926 20 0 HCADLO Cc1noc2ncnc(NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000669649100 1073437157 /nfs/dbraw/zinc/43/71/57/1073437157.db2.gz LZKCWXUKMGAWPB-UHFFFAOYSA-N 1 2 403.468 0.885 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC2(OCCO)CCOCC2)CC1 ZINC000669711191 1073712388 /nfs/dbraw/zinc/71/23/88/1073712388.db2.gz YNLPQZWKHFHYOS-UHFFFAOYSA-N 1 2 420.510 0.754 20 0 HCADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000669736911 1074187097 /nfs/dbraw/zinc/18/70/97/1074187097.db2.gz MRIQUFYEJGFBAL-UHFFFAOYSA-N 1 2 423.473 0.233 20 0 HCADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000669739429 1074197134 /nfs/dbraw/zinc/19/71/34/1074197134.db2.gz VXMWNHXZWZHVKM-INIZCTEOSA-N 1 2 412.450 0.161 20 0 HCADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000669739430 1074197241 /nfs/dbraw/zinc/19/72/41/1074197241.db2.gz VXMWNHXZWZHVKM-MRXNPFEDSA-N 1 2 412.450 0.161 20 0 HCADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000669739960 1074204936 /nfs/dbraw/zinc/20/49/36/1074204936.db2.gz NATPFDZFMGNCKU-GOSISDBHSA-N 1 2 423.473 0.404 20 0 HCADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000669739960 1074204927 /nfs/dbraw/zinc/20/49/27/1074204927.db2.gz NATPFDZFMGNCKU-GOSISDBHSA-N 1 2 423.473 0.404 20 0 HCADLO COCC1(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCC1 ZINC000669743321 1074244730 /nfs/dbraw/zinc/24/47/30/1074244730.db2.gz NODPRYKGKZJEIF-UHFFFAOYSA-N 1 2 402.495 0.946 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC(C3CCOCC3)C2)CC1 ZINC000669746245 1074299351 /nfs/dbraw/zinc/29/93/51/1074299351.db2.gz QXGNTBVTNRYJMJ-UHFFFAOYSA-N 1 2 414.506 0.898 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC3(CCO3)CC2)CC1 ZINC000669752020 1074371344 /nfs/dbraw/zinc/37/13/44/1074371344.db2.gz MMJIDACBHZJGIZ-UHFFFAOYSA-N 1 2 400.479 0.794 20 0 HCADLO Cc1nc(N2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)cc[nH+]1 ZINC000669770882 1074536636 /nfs/dbraw/zinc/53/66/36/1074536636.db2.gz DRFVOZPYFREADZ-UHFFFAOYSA-N 1 2 404.496 0.605 20 0 HCADLO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000669775295 1074558653 /nfs/dbraw/zinc/55/86/53/1074558653.db2.gz LSBMKTHOHVXUDH-INIZCTEOSA-N 1 2 421.523 0.900 20 0 HCADLO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000669775296 1074558472 /nfs/dbraw/zinc/55/84/72/1074558472.db2.gz LSBMKTHOHVXUDH-MRXNPFEDSA-N 1 2 421.523 0.900 20 0 HCADLO CS(=O)(=O)NC1CC(NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000669851706 1075512529 /nfs/dbraw/zinc/51/25/29/1075512529.db2.gz QJBMDVWXHYSDKY-UHFFFAOYSA-N 1 2 423.539 0.469 20 0 HCADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000669884990 1075804771 /nfs/dbraw/zinc/80/47/71/1075804771.db2.gz QKHQTYBWPKHKRY-AWEZNQCLSA-N 1 2 401.558 0.629 20 0 HCADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000669884991 1075804812 /nfs/dbraw/zinc/80/48/12/1075804812.db2.gz QKHQTYBWPKHKRY-CQSZACIVSA-N 1 2 401.558 0.629 20 0 HCADLO Cc1cc(N2CCN(C(=O)NC3CC(NS(C)(=O)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000669889823 1075840837 /nfs/dbraw/zinc/84/08/37/1075840837.db2.gz NLNPSJRVWCZBLK-UHFFFAOYSA-N 1 2 410.544 0.820 20 0 HCADLO CCOc1ccc(C[NH+]2CCN(C(=O)NC3CC(NS(C)(=O)=O)C3)CC2)cc1 ZINC000669889898 1075841062 /nfs/dbraw/zinc/84/10/62/1075841062.db2.gz PZUHSVUKJWLGSF-UHFFFAOYSA-N 1 2 410.540 0.993 20 0 HCADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000669890988 1075844123 /nfs/dbraw/zinc/84/41/23/1075844123.db2.gz YHZJHPWHDZUOMY-UHFFFAOYSA-N 1 2 410.540 0.911 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000669947650 1077285008 /nfs/dbraw/zinc/28/50/08/1077285008.db2.gz OOZUMXOIIJXELV-UHFFFAOYSA-N 1 2 409.512 0.276 20 0 HCADLO COCCNc1nc(N2CC[C@H](OC(F)F)C2)[nH+]c(N2CC[C@H](OC(F)F)C2)n1 ZINC000669971197 1077321873 /nfs/dbraw/zinc/32/18/73/1077321873.db2.gz OQTAMPZXRZQICS-QWRGUYRKSA-N 1 2 424.399 0.988 20 0 HCADLO CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cn2)CC1 ZINC000669971974 1077322007 /nfs/dbraw/zinc/32/20/07/1077322007.db2.gz BPGYUGLPMHABJB-UHFFFAOYSA-N 1 2 405.484 0.462 20 0 HCADLO COCCNS(=O)(=O)c1cc(NC(=O)NCc2ccc(N)[nH+]c2)ccc1OC ZINC000670024553 1077374557 /nfs/dbraw/zinc/37/45/57/1077374557.db2.gz NRCKMEWLNKBSJL-UHFFFAOYSA-N 1 2 409.468 0.919 20 0 HCADLO CCN1CC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000670047065 1077456807 /nfs/dbraw/zinc/45/68/07/1077456807.db2.gz ULKMRIVZRFCSDM-CVEARBPZSA-N 1 2 417.514 0.202 20 0 HCADLO CCN1CC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000670047065 1077456797 /nfs/dbraw/zinc/45/67/97/1077456797.db2.gz ULKMRIVZRFCSDM-CVEARBPZSA-N 1 2 417.514 0.202 20 0 HCADLO CCN1CC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000670047066 1073565095 /nfs/dbraw/zinc/56/50/95/1073565095.db2.gz ULKMRIVZRFCSDM-HOTGVXAUSA-N 1 2 417.514 0.202 20 0 HCADLO CCN1CC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000670047066 1073565082 /nfs/dbraw/zinc/56/50/82/1073565082.db2.gz ULKMRIVZRFCSDM-HOTGVXAUSA-N 1 2 417.514 0.202 20 0 HCADLO CCN1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000670047067 1073564925 /nfs/dbraw/zinc/56/49/25/1073564925.db2.gz ULKMRIVZRFCSDM-HZPDHXFCSA-N 1 2 417.514 0.202 20 0 HCADLO CCN1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000670047067 1073564919 /nfs/dbraw/zinc/56/49/19/1073564919.db2.gz ULKMRIVZRFCSDM-HZPDHXFCSA-N 1 2 417.514 0.202 20 0 HCADLO CCN1CC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000670047068 1077456869 /nfs/dbraw/zinc/45/68/69/1077456869.db2.gz ULKMRIVZRFCSDM-JKSUJKDBSA-N 1 2 417.514 0.202 20 0 HCADLO CCN1CC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000670047068 1077456863 /nfs/dbraw/zinc/45/68/63/1077456863.db2.gz ULKMRIVZRFCSDM-JKSUJKDBSA-N 1 2 417.514 0.202 20 0 HCADLO Cc1nc2cccc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2[nH]1 ZINC000670051909 1077458184 /nfs/dbraw/zinc/45/81/84/1077458184.db2.gz DVSCZAXUUGDJES-UHFFFAOYSA-N 1 2 406.512 0.121 20 0 HCADLO CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000670059493 1077498944 /nfs/dbraw/zinc/49/89/44/1077498944.db2.gz FILVXZZPWPFVBI-UHFFFAOYSA-N 1 2 422.555 0.984 20 0 HCADLO CCOCc1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1CC ZINC000670074460 1077565015 /nfs/dbraw/zinc/56/50/15/1077565015.db2.gz AIYSMTOORMPBPB-UHFFFAOYSA-N 1 2 402.503 0.788 20 0 HCADLO CCOCc1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1CC ZINC000670074460 1077565005 /nfs/dbraw/zinc/56/50/05/1077565005.db2.gz AIYSMTOORMPBPB-UHFFFAOYSA-N 1 2 402.503 0.788 20 0 HCADLO CN(C)c1cnccc1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000670076017 1077565980 /nfs/dbraw/zinc/56/59/80/1077565980.db2.gz OCHHSVAWSNKCSY-UHFFFAOYSA-N 1 2 412.498 0.550 20 0 HCADLO CN(C)c1cnccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000670076017 1077565967 /nfs/dbraw/zinc/56/59/67/1077565967.db2.gz OCHHSVAWSNKCSY-UHFFFAOYSA-N 1 2 412.498 0.550 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CC[C@@](F)(CO)C3)CC2)cc1 ZINC000670112499 1077657588 /nfs/dbraw/zinc/65/75/88/1077657588.db2.gz OZPOHKJDFWIIHF-APWZRJJASA-N 1 2 413.515 0.623 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CC[C@@](F)(CO)C3)CC2)cc1 ZINC000670112499 1077657582 /nfs/dbraw/zinc/65/75/82/1077657582.db2.gz OZPOHKJDFWIIHF-APWZRJJASA-N 1 2 413.515 0.623 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CC[C@@](F)(CO)C3)CC2)cc1 ZINC000670112500 1077657612 /nfs/dbraw/zinc/65/76/12/1077657612.db2.gz OZPOHKJDFWIIHF-LPHOPBHVSA-N 1 2 413.515 0.623 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CC[C@@](F)(CO)C3)CC2)cc1 ZINC000670112500 1077657606 /nfs/dbraw/zinc/65/76/06/1077657606.db2.gz OZPOHKJDFWIIHF-LPHOPBHVSA-N 1 2 413.515 0.623 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CC[C@](F)(CO)C3)CC2)cc1 ZINC000670112501 1077657471 /nfs/dbraw/zinc/65/74/71/1077657471.db2.gz OZPOHKJDFWIIHF-QFBILLFUSA-N 1 2 413.515 0.623 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CC[C@](F)(CO)C3)CC2)cc1 ZINC000670112501 1077657465 /nfs/dbraw/zinc/65/74/65/1077657465.db2.gz OZPOHKJDFWIIHF-QFBILLFUSA-N 1 2 413.515 0.623 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CC[C@](F)(CO)C3)CC2)cc1 ZINC000670112502 1077657522 /nfs/dbraw/zinc/65/75/22/1077657522.db2.gz OZPOHKJDFWIIHF-VQIMIIECSA-N 1 2 413.515 0.623 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CC[C@](F)(CO)C3)CC2)cc1 ZINC000670112502 1077657517 /nfs/dbraw/zinc/65/75/17/1077657517.db2.gz OZPOHKJDFWIIHF-VQIMIIECSA-N 1 2 413.515 0.623 20 0 HCADLO CS(=O)(=O)NC1CC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000670124405 1077701874 /nfs/dbraw/zinc/70/18/74/1077701874.db2.gz XMCMBLKWHHGWIJ-ABHNRTSZSA-N 1 2 410.540 0.309 20 0 HCADLO CS(=O)(=O)NC1CC(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000670124406 1077701790 /nfs/dbraw/zinc/70/17/90/1077701790.db2.gz XMCMBLKWHHGWIJ-DAWZGUTISA-N 1 2 410.540 0.309 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@@](F)(CO)C1 ZINC000670124944 1077694390 /nfs/dbraw/zinc/69/43/90/1077694390.db2.gz OFHCTVFYUFEUFD-BEFAXECRSA-N 1 2 408.478 0.398 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@@](F)(CO)C1 ZINC000670124944 1077694384 /nfs/dbraw/zinc/69/43/84/1077694384.db2.gz OFHCTVFYUFEUFD-BEFAXECRSA-N 1 2 408.478 0.398 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@](F)(CO)C1 ZINC000670124945 1077694245 /nfs/dbraw/zinc/69/42/45/1077694245.db2.gz OFHCTVFYUFEUFD-DNVCBOLYSA-N 1 2 408.478 0.398 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@](F)(CO)C1 ZINC000670124945 1077694236 /nfs/dbraw/zinc/69/42/36/1077694236.db2.gz OFHCTVFYUFEUFD-DNVCBOLYSA-N 1 2 408.478 0.398 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@](F)(CO)C1 ZINC000670124946 1077694352 /nfs/dbraw/zinc/69/43/52/1077694352.db2.gz OFHCTVFYUFEUFD-HNAYVOBHSA-N 1 2 408.478 0.398 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@](F)(CO)C1 ZINC000670124946 1077694333 /nfs/dbraw/zinc/69/43/33/1077694333.db2.gz OFHCTVFYUFEUFD-HNAYVOBHSA-N 1 2 408.478 0.398 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[C@@](F)(CO)C1 ZINC000670124947 1077694602 /nfs/dbraw/zinc/69/46/02/1077694602.db2.gz OFHCTVFYUFEUFD-KXBFYZLASA-N 1 2 408.478 0.398 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[C@@](F)(CO)C1 ZINC000670124947 1077694595 /nfs/dbraw/zinc/69/45/95/1077694595.db2.gz OFHCTVFYUFEUFD-KXBFYZLASA-N 1 2 408.478 0.398 20 0 HCADLO COc1ccc2c(c1)OCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000670142912 1077772357 /nfs/dbraw/zinc/77/23/57/1077772357.db2.gz WUZACNDYWQXXDM-KRWDZBQOSA-N 1 2 403.479 0.597 20 0 HCADLO COc1ccc2c(c1)OCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000670142913 1077772171 /nfs/dbraw/zinc/77/21/71/1077772171.db2.gz WUZACNDYWQXXDM-QGZVFWFLSA-N 1 2 403.479 0.597 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670179324 1077849956 /nfs/dbraw/zinc/84/99/56/1077849956.db2.gz PQROKSMJHQWJBE-IPJUCJBFSA-N 1 2 424.567 0.999 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670179325 1077849928 /nfs/dbraw/zinc/84/99/28/1077849928.db2.gz PQROKSMJHQWJBE-IVMQYODDSA-N 1 2 424.567 0.999 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000670183850 1077856733 /nfs/dbraw/zinc/85/67/33/1077856733.db2.gz ZJESVBCJTGMSLE-MSOLQXFVSA-N 1 2 405.499 0.627 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000670183851 1077856765 /nfs/dbraw/zinc/85/67/65/1077856765.db2.gz ZJESVBCJTGMSLE-QZTJIDSGSA-N 1 2 405.499 0.627 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000670183852 1077856781 /nfs/dbraw/zinc/85/67/81/1077856781.db2.gz ZJESVBCJTGMSLE-ROUUACIJSA-N 1 2 405.499 0.627 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000670183853 1077856746 /nfs/dbraw/zinc/85/67/46/1077856746.db2.gz ZJESVBCJTGMSLE-ZWKOTPCHSA-N 1 2 405.499 0.627 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000670229426 1078914905 /nfs/dbraw/zinc/91/49/05/1078914905.db2.gz OHTLAONHAHPAPO-IGEOTXOUSA-N 1 2 424.523 0.215 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000670229427 1078006337 /nfs/dbraw/zinc/00/63/37/1078006337.db2.gz OHTLAONHAHPAPO-NVPAJSRCSA-N 1 2 424.523 0.215 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOc2cccc(F)c2C1 ZINC000670230374 1078007737 /nfs/dbraw/zinc/00/77/37/1078007737.db2.gz KMXPPAGCCWODFZ-UHFFFAOYSA-N 1 2 417.441 0.714 20 0 HCADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCOc2cccc(F)c2C1 ZINC000670231302 1078007837 /nfs/dbraw/zinc/00/78/37/1078007837.db2.gz KPQQABCPIYAFLM-UHFFFAOYSA-N 1 2 417.441 0.714 20 0 HCADLO CCOCCCn1c(COC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000670238587 1079022085 /nfs/dbraw/zinc/02/20/85/1079022085.db2.gz JFAWVXOILOWPOG-KRWDZBQOSA-N 1 2 408.547 0.984 20 0 HCADLO CCOCCCn1c(COC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000670238588 1078012761 /nfs/dbraw/zinc/01/27/61/1078012761.db2.gz JFAWVXOILOWPOG-QGZVFWFLSA-N 1 2 408.547 0.984 20 0 HCADLO CCOCCCn1c(COC)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000670245410 1078018203 /nfs/dbraw/zinc/01/82/03/1078018203.db2.gz QZWILWQBZNDBTE-UHFFFAOYSA-N 1 2 415.502 0.854 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H](OC(F)F)C2)CC1 ZINC000670252949 1078025137 /nfs/dbraw/zinc/02/51/37/1078025137.db2.gz XVMKKCDSQOODBX-ZDUSSCGKSA-N 1 2 410.421 0.853 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@](F)(CO)C2)CC1 ZINC000670254591 1078026624 /nfs/dbraw/zinc/02/66/24/1078026624.db2.gz WPJPSODEXQBTAS-FQEVSTJZSA-N 1 2 406.458 0.222 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@](F)(CO)C2)CC1 ZINC000670254592 1078026596 /nfs/dbraw/zinc/02/65/96/1078026596.db2.gz WPJPSODEXQBTAS-HXUWFJFHSA-N 1 2 406.458 0.222 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@](F)(CO)C3)c2)CC1 ZINC000670254808 1078027327 /nfs/dbraw/zinc/02/73/27/1078027327.db2.gz GHBZYDTUTXQAPW-FQEVSTJZSA-N 1 2 406.458 0.222 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@](F)(CO)C3)c2)CC1 ZINC000670254809 1078027268 /nfs/dbraw/zinc/02/72/68/1078027268.db2.gz GHBZYDTUTXQAPW-HXUWFJFHSA-N 1 2 406.458 0.222 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@](F)(CO)C3)cc2)CC1 ZINC000670255752 1078028373 /nfs/dbraw/zinc/02/83/73/1078028373.db2.gz XIXQLMHUNMLOSE-FQEVSTJZSA-N 1 2 406.458 0.222 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@](F)(CO)C3)cc2)CC1 ZINC000670255753 1078028459 /nfs/dbraw/zinc/02/84/59/1078028459.db2.gz XIXQLMHUNMLOSE-HXUWFJFHSA-N 1 2 406.458 0.222 20 0 HCADLO CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)C1=O ZINC000670257886 1078028163 /nfs/dbraw/zinc/02/81/63/1078028163.db2.gz SOZUUAZDGWCXRW-GOSISDBHSA-N 1 2 401.511 0.500 20 0 HCADLO CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)C1=O ZINC000670257887 1079128170 /nfs/dbraw/zinc/12/81/70/1079128170.db2.gz SOZUUAZDGWCXRW-SFHVURJKSA-N 1 2 401.511 0.500 20 0 HCADLO CCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1=O ZINC000670258324 1079128095 /nfs/dbraw/zinc/12/80/95/1079128095.db2.gz GENCQPKJOPDKIV-GOSISDBHSA-N 1 2 415.494 0.026 20 0 HCADLO CCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1=O ZINC000670258325 1078028641 /nfs/dbraw/zinc/02/86/41/1078028641.db2.gz GENCQPKJOPDKIV-SFHVURJKSA-N 1 2 415.494 0.026 20 0 HCADLO CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1=O ZINC000670258814 1078029910 /nfs/dbraw/zinc/02/99/10/1078029910.db2.gz VZTDNKYCSUPYOJ-GOSISDBHSA-N 1 2 415.494 0.026 20 0 HCADLO CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1=O ZINC000670258815 1078030011 /nfs/dbraw/zinc/03/00/11/1078030011.db2.gz VZTDNKYCSUPYOJ-SFHVURJKSA-N 1 2 415.494 0.026 20 0 HCADLO CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1=O ZINC000670258971 1079128757 /nfs/dbraw/zinc/12/87/57/1079128757.db2.gz BQYQROMYNULPNM-GOSISDBHSA-N 1 2 415.494 0.026 20 0 HCADLO CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1=O ZINC000670258972 1079129195 /nfs/dbraw/zinc/12/91/95/1079129195.db2.gz BQYQROMYNULPNM-SFHVURJKSA-N 1 2 415.494 0.026 20 0 HCADLO COCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCCO1 ZINC000670295908 1078106921 /nfs/dbraw/zinc/10/69/21/1078106921.db2.gz DAAHZCYHBVPCSV-DLBZAZTESA-N 1 2 406.531 0.736 20 0 HCADLO COCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCCO1 ZINC000670295909 1078107208 /nfs/dbraw/zinc/10/72/08/1078107208.db2.gz DAAHZCYHBVPCSV-IAGOWNOFSA-N 1 2 406.531 0.736 20 0 HCADLO COCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCCO1 ZINC000670295910 1078107196 /nfs/dbraw/zinc/10/71/96/1078107196.db2.gz DAAHZCYHBVPCSV-IRXDYDNUSA-N 1 2 406.531 0.736 20 0 HCADLO COCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCCO1 ZINC000670295911 1078106972 /nfs/dbraw/zinc/10/69/72/1078106972.db2.gz DAAHZCYHBVPCSV-SJORKVTESA-N 1 2 406.531 0.736 20 0 HCADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCCO1 ZINC000670298588 1078123543 /nfs/dbraw/zinc/12/35/43/1078123543.db2.gz VEKCYWXOLFAHHE-DLBZAZTESA-N 1 2 406.531 0.389 20 0 HCADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCCO1 ZINC000670298589 1078123342 /nfs/dbraw/zinc/12/33/42/1078123342.db2.gz VEKCYWXOLFAHHE-IAGOWNOFSA-N 1 2 406.531 0.389 20 0 HCADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCCO1 ZINC000670298590 1078123384 /nfs/dbraw/zinc/12/33/84/1078123384.db2.gz VEKCYWXOLFAHHE-IRXDYDNUSA-N 1 2 406.531 0.389 20 0 HCADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCCO1 ZINC000670298591 1079960989 /nfs/dbraw/zinc/96/09/89/1079960989.db2.gz VEKCYWXOLFAHHE-SJORKVTESA-N 1 2 406.531 0.389 20 0 HCADLO COCc1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1C[C@@H]1CCCO1 ZINC000670306700 1080199401 /nfs/dbraw/zinc/19/94/01/1080199401.db2.gz AIYPKBIVLNGDBG-AWEZNQCLSA-N 1 2 413.486 0.607 20 0 HCADLO COCc1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1C[C@H]1CCCO1 ZINC000670306701 1078137496 /nfs/dbraw/zinc/13/74/96/1078137496.db2.gz AIYPKBIVLNGDBG-CQSZACIVSA-N 1 2 413.486 0.607 20 0 HCADLO COCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCOC1 ZINC000670331613 1078183498 /nfs/dbraw/zinc/18/34/98/1078183498.db2.gz NNAIORRSJAHYEB-DLBZAZTESA-N 1 2 406.531 0.594 20 0 HCADLO COCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCOC1 ZINC000670331614 1078183471 /nfs/dbraw/zinc/18/34/71/1078183471.db2.gz NNAIORRSJAHYEB-IAGOWNOFSA-N 1 2 406.531 0.594 20 0 HCADLO COCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCOC1 ZINC000670331615 1078183230 /nfs/dbraw/zinc/18/32/30/1078183230.db2.gz NNAIORRSJAHYEB-IRXDYDNUSA-N 1 2 406.531 0.594 20 0 HCADLO COCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCOC1 ZINC000670331616 1078183414 /nfs/dbraw/zinc/18/34/14/1078183414.db2.gz NNAIORRSJAHYEB-SJORKVTESA-N 1 2 406.531 0.594 20 0 HCADLO CN(CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000670406628 1078328869 /nfs/dbraw/zinc/32/88/69/1078328869.db2.gz YNSXNKCBJMNIGS-HNNXBMFYSA-N 1 2 400.932 0.467 20 0 HCADLO CN(CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000670406628 1078328866 /nfs/dbraw/zinc/32/88/66/1078328866.db2.gz YNSXNKCBJMNIGS-HNNXBMFYSA-N 1 2 400.932 0.467 20 0 HCADLO CN(CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000670406629 1078328840 /nfs/dbraw/zinc/32/88/40/1078328840.db2.gz YNSXNKCBJMNIGS-OAHLLOKOSA-N 1 2 400.932 0.467 20 0 HCADLO CN(CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000670406629 1078328836 /nfs/dbraw/zinc/32/88/36/1078328836.db2.gz YNSXNKCBJMNIGS-OAHLLOKOSA-N 1 2 400.932 0.467 20 0 HCADLO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670406918 1078328930 /nfs/dbraw/zinc/32/89/30/1078328930.db2.gz GQIYUDPDIXZFPM-AWEZNQCLSA-N 1 2 420.457 0.490 20 0 HCADLO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670406918 1078328924 /nfs/dbraw/zinc/32/89/24/1078328924.db2.gz GQIYUDPDIXZFPM-AWEZNQCLSA-N 1 2 420.457 0.490 20 0 HCADLO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670406919 1078328785 /nfs/dbraw/zinc/32/87/85/1078328785.db2.gz GQIYUDPDIXZFPM-CQSZACIVSA-N 1 2 420.457 0.490 20 0 HCADLO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670406919 1078328780 /nfs/dbraw/zinc/32/87/80/1078328780.db2.gz GQIYUDPDIXZFPM-CQSZACIVSA-N 1 2 420.457 0.490 20 0 HCADLO O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670407223 1078328614 /nfs/dbraw/zinc/32/86/14/1078328614.db2.gz NANTUVHCDFRVEP-AWEZNQCLSA-N 1 2 423.311 0.681 20 0 HCADLO O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670407223 1078328607 /nfs/dbraw/zinc/32/86/07/1078328607.db2.gz NANTUVHCDFRVEP-AWEZNQCLSA-N 1 2 423.311 0.681 20 0 HCADLO O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670407224 1078328589 /nfs/dbraw/zinc/32/85/89/1078328589.db2.gz NANTUVHCDFRVEP-CQSZACIVSA-N 1 2 423.311 0.681 20 0 HCADLO O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670407224 1078328584 /nfs/dbraw/zinc/32/85/84/1078328584.db2.gz NANTUVHCDFRVEP-CQSZACIVSA-N 1 2 423.311 0.681 20 0 HCADLO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670408244 1078329253 /nfs/dbraw/zinc/32/92/53/1078329253.db2.gz KMQXYXFQOVGOKL-IBGZPJMESA-N 1 2 420.579 0.910 20 0 HCADLO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670408244 1078329248 /nfs/dbraw/zinc/32/92/48/1078329248.db2.gz KMQXYXFQOVGOKL-IBGZPJMESA-N 1 2 420.579 0.910 20 0 HCADLO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670408245 1081292997 /nfs/dbraw/zinc/29/29/97/1081292997.db2.gz KMQXYXFQOVGOKL-LJQANCHMSA-N 1 2 420.579 0.910 20 0 HCADLO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670408245 1081292988 /nfs/dbraw/zinc/29/29/88/1081292988.db2.gz KMQXYXFQOVGOKL-LJQANCHMSA-N 1 2 420.579 0.910 20 0 HCADLO CN(CCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)S(=O)(=O)c1ccc(F)cc1 ZINC000670409452 1081308201 /nfs/dbraw/zinc/30/82/01/1081308201.db2.gz NJOAAHDFUIGCDR-KRWDZBQOSA-N 1 2 412.531 0.733 20 0 HCADLO CN(CCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)S(=O)(=O)c1ccc(F)cc1 ZINC000670409452 1081308197 /nfs/dbraw/zinc/30/81/97/1081308197.db2.gz NJOAAHDFUIGCDR-KRWDZBQOSA-N 1 2 412.531 0.733 20 0 HCADLO CN(CCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)S(=O)(=O)c1ccc(F)cc1 ZINC000670409453 1081308273 /nfs/dbraw/zinc/30/82/73/1081308273.db2.gz NJOAAHDFUIGCDR-QGZVFWFLSA-N 1 2 412.531 0.733 20 0 HCADLO CN(CCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)S(=O)(=O)c1ccc(F)cc1 ZINC000670409453 1081308269 /nfs/dbraw/zinc/30/82/69/1081308269.db2.gz NJOAAHDFUIGCDR-QGZVFWFLSA-N 1 2 412.531 0.733 20 0 HCADLO Cc1cc2ccc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn2c1 ZINC000670413829 1081363909 /nfs/dbraw/zinc/36/39/09/1081363909.db2.gz AWYBNNQMDSIVTB-UHFFFAOYSA-N 1 2 405.524 0.498 20 0 HCADLO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000670422749 1078352668 /nfs/dbraw/zinc/35/26/68/1078352668.db2.gz LPOBDXZIZLYYDF-MRXNPFEDSA-N 1 2 410.478 0.509 20 0 HCADLO C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000670440338 1078371803 /nfs/dbraw/zinc/37/18/03/1078371803.db2.gz KYDSMGORDCWWAN-CVEARBPZSA-N 1 2 408.930 0.808 20 0 HCADLO C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000670440341 1078370650 /nfs/dbraw/zinc/37/06/50/1078370650.db2.gz KYDSMGORDCWWAN-JKSUJKDBSA-N 1 2 408.930 0.808 20 0 HCADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H]1CN3CC[N@H+]1CCC3)C2=O ZINC000670447041 1078373450 /nfs/dbraw/zinc/37/34/50/1078373450.db2.gz FKTYLEDDBAJRJL-VWKPWSFCSA-N 1 2 405.543 0.629 20 0 HCADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H]1CN3CC[N@@H+]1CCC3)C2=O ZINC000670447041 1078373447 /nfs/dbraw/zinc/37/34/47/1078373447.db2.gz FKTYLEDDBAJRJL-VWKPWSFCSA-N 1 2 405.543 0.629 20 0 HCADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@H]1CN3CC[N@H+]1CCC3)C2=O ZINC000670447042 1078373420 /nfs/dbraw/zinc/37/34/20/1078373420.db2.gz FKTYLEDDBAJRJL-WHSLLNHNSA-N 1 2 405.543 0.629 20 0 HCADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@H]1CN3CC[N@@H+]1CCC3)C2=O ZINC000670447042 1078373418 /nfs/dbraw/zinc/37/34/18/1078373418.db2.gz FKTYLEDDBAJRJL-WHSLLNHNSA-N 1 2 405.543 0.629 20 0 HCADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H]1CN3CC[N@H+]1CCC3)C2=O ZINC000670447043 1078373582 /nfs/dbraw/zinc/37/35/82/1078373582.db2.gz FKTYLEDDBAJRJL-XFQAVAEZSA-N 1 2 405.543 0.629 20 0 HCADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H]1CN3CC[N@@H+]1CCC3)C2=O ZINC000670447043 1078373579 /nfs/dbraw/zinc/37/35/79/1078373579.db2.gz FKTYLEDDBAJRJL-XFQAVAEZSA-N 1 2 405.543 0.629 20 0 HCADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@H]1CN3CC[N@H+]1CCC3)C2=O ZINC000670447044 1078373537 /nfs/dbraw/zinc/37/35/37/1078373537.db2.gz FKTYLEDDBAJRJL-ZOCZFRKYSA-N 1 2 405.543 0.629 20 0 HCADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@H]1CN3CC[N@@H+]1CCC3)C2=O ZINC000670447044 1078373533 /nfs/dbraw/zinc/37/35/33/1078373533.db2.gz FKTYLEDDBAJRJL-ZOCZFRKYSA-N 1 2 405.543 0.629 20 0 HCADLO O=C(CNC(=O)c1ccc(Br)s1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670447095 1078373119 /nfs/dbraw/zinc/37/31/19/1078373119.db2.gz IOLWQIZLSJFPDB-LLVKDONJSA-N 1 2 401.330 0.747 20 0 HCADLO O=C(CNC(=O)c1ccc(Br)s1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670447095 1078373114 /nfs/dbraw/zinc/37/31/14/1078373114.db2.gz IOLWQIZLSJFPDB-LLVKDONJSA-N 1 2 401.330 0.747 20 0 HCADLO O=C(CNC(=O)c1ccc(Br)s1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670447096 1078373214 /nfs/dbraw/zinc/37/32/14/1078373214.db2.gz IOLWQIZLSJFPDB-NSHDSACASA-N 1 2 401.330 0.747 20 0 HCADLO O=C(CNC(=O)c1ccc(Br)s1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670447096 1078373209 /nfs/dbraw/zinc/37/32/09/1078373209.db2.gz IOLWQIZLSJFPDB-NSHDSACASA-N 1 2 401.330 0.747 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c1 ZINC000670447354 1078375154 /nfs/dbraw/zinc/37/51/54/1078375154.db2.gz SRHDJNRIGKJFFA-KRWDZBQOSA-N 1 2 408.524 0.064 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000670447354 1078375152 /nfs/dbraw/zinc/37/51/52/1078375152.db2.gz SRHDJNRIGKJFFA-KRWDZBQOSA-N 1 2 408.524 0.064 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c1 ZINC000670447355 1078375271 /nfs/dbraw/zinc/37/52/71/1078375271.db2.gz SRHDJNRIGKJFFA-QGZVFWFLSA-N 1 2 408.524 0.064 20 0 HCADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000670447355 1078375266 /nfs/dbraw/zinc/37/52/66/1078375266.db2.gz SRHDJNRIGKJFFA-QGZVFWFLSA-N 1 2 408.524 0.064 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000670447358 1078375237 /nfs/dbraw/zinc/37/52/37/1078375237.db2.gz STIOZXVTIFRWQG-KRWDZBQOSA-N 1 2 408.524 0.064 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000670447358 1078375232 /nfs/dbraw/zinc/37/52/32/1078375232.db2.gz STIOZXVTIFRWQG-KRWDZBQOSA-N 1 2 408.524 0.064 20 0 HCADLO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000670451030 1078385568 /nfs/dbraw/zinc/38/55/68/1078385568.db2.gz TWBGWNNQRTVALK-UHFFFAOYSA-N 1 2 418.519 0.770 20 0 HCADLO Nc1ccccc1S(=O)(=O)NCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000670451459 1078386188 /nfs/dbraw/zinc/38/61/88/1078386188.db2.gz NEXKHBVWKOTBQN-UHFFFAOYSA-N 1 2 418.519 0.696 20 0 HCADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC000670470723 1078438816 /nfs/dbraw/zinc/43/88/16/1078438816.db2.gz NFIDQSVCFYQVRJ-HNNXBMFYSA-N 1 2 403.508 0.848 20 0 HCADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC000670470724 1078438829 /nfs/dbraw/zinc/43/88/29/1078438829.db2.gz NFIDQSVCFYQVRJ-OAHLLOKOSA-N 1 2 403.508 0.848 20 0 HCADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CNS(=O)(=O)c1ccccc1N ZINC000670474886 1078457480 /nfs/dbraw/zinc/45/74/80/1078457480.db2.gz HQBVNSNAEJBFSP-UHFFFAOYSA-N 1 2 405.480 0.726 20 0 HCADLO O=C(CN1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1)Nc1ccc(F)cc1 ZINC000670478920 1078462322 /nfs/dbraw/zinc/46/23/22/1078462322.db2.gz ZLNFYPFSLURPAC-UHFFFAOYSA-N 1 2 416.457 0.311 20 0 HCADLO CCOc1ccnc(N2CCCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)n1 ZINC000670479054 1078458600 /nfs/dbraw/zinc/45/86/00/1078458600.db2.gz ZTZLXGIGQBDHHV-UHFFFAOYSA-N 1 2 401.471 0.317 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000670479293 1078458557 /nfs/dbraw/zinc/45/85/57/1078458557.db2.gz COLTYVXMCLCMOF-GOSISDBHSA-N 1 2 419.913 0.921 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000670479294 1078458570 /nfs/dbraw/zinc/45/85/70/1078458570.db2.gz COLTYVXMCLCMOF-SFHVURJKSA-N 1 2 419.913 0.921 20 0 HCADLO COc1ccc(CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000670493351 1078512923 /nfs/dbraw/zinc/51/29/23/1078512923.db2.gz ZINAQYMPBPDSQK-KRWDZBQOSA-N 1 2 405.495 0.686 20 0 HCADLO COc1ccc(CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000670493352 1078513228 /nfs/dbraw/zinc/51/32/28/1078513228.db2.gz ZINAQYMPBPDSQK-QGZVFWFLSA-N 1 2 405.495 0.686 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000670514299 1078591244 /nfs/dbraw/zinc/59/12/44/1078591244.db2.gz SLHPNPFWFNNQEZ-INIZCTEOSA-N 1 2 417.428 0.516 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000670514300 1078591215 /nfs/dbraw/zinc/59/12/15/1078591215.db2.gz SLHPNPFWFNNQEZ-MRXNPFEDSA-N 1 2 417.428 0.516 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000670532548 1078655176 /nfs/dbraw/zinc/65/51/76/1078655176.db2.gz RNLPCFBJQZZOTB-AABGKKOBSA-N 1 2 417.506 0.410 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000670532548 1078655169 /nfs/dbraw/zinc/65/51/69/1078655169.db2.gz RNLPCFBJQZZOTB-AABGKKOBSA-N 1 2 417.506 0.410 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000670532549 1078654901 /nfs/dbraw/zinc/65/49/01/1078654901.db2.gz RNLPCFBJQZZOTB-AQNXPRMDSA-N 1 2 417.506 0.410 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000670532549 1078654899 /nfs/dbraw/zinc/65/48/99/1078654899.db2.gz RNLPCFBJQZZOTB-AQNXPRMDSA-N 1 2 417.506 0.410 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000670532550 1078654913 /nfs/dbraw/zinc/65/49/13/1078654913.db2.gz RNLPCFBJQZZOTB-HSALFYBXSA-N 1 2 417.506 0.410 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000670532550 1078654910 /nfs/dbraw/zinc/65/49/10/1078654910.db2.gz RNLPCFBJQZZOTB-HSALFYBXSA-N 1 2 417.506 0.410 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000670532551 1078655129 /nfs/dbraw/zinc/65/51/29/1078655129.db2.gz RNLPCFBJQZZOTB-VAMGGRTRSA-N 1 2 417.506 0.410 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000670532551 1078655125 /nfs/dbraw/zinc/65/51/25/1078655125.db2.gz RNLPCFBJQZZOTB-VAMGGRTRSA-N 1 2 417.506 0.410 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000670532588 1078656475 /nfs/dbraw/zinc/65/64/75/1078656475.db2.gz USIFPETWXFMLJA-MOPGFXCFSA-N 1 2 405.495 0.173 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000670532588 1078656471 /nfs/dbraw/zinc/65/64/71/1078656471.db2.gz USIFPETWXFMLJA-MOPGFXCFSA-N 1 2 405.495 0.173 20 0 HCADLO O=C(NCCOC[C@H]1CCOC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000670532590 1078656335 /nfs/dbraw/zinc/65/63/35/1078656335.db2.gz USIFPETWXFMLJA-RBUKOAKNSA-N 1 2 405.495 0.173 20 0 HCADLO O=C(NCCOC[C@H]1CCOC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000670532590 1078656331 /nfs/dbraw/zinc/65/63/31/1078656331.db2.gz USIFPETWXFMLJA-RBUKOAKNSA-N 1 2 405.495 0.173 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000670532591 1078656454 /nfs/dbraw/zinc/65/64/54/1078656454.db2.gz USIFPETWXFMLJA-RTBURBONSA-N 1 2 405.495 0.173 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000670532591 1078656447 /nfs/dbraw/zinc/65/64/47/1078656447.db2.gz USIFPETWXFMLJA-RTBURBONSA-N 1 2 405.495 0.173 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000670532776 1078666149 /nfs/dbraw/zinc/66/61/49/1078666149.db2.gz KOZUVEKRFDDSRH-GOSISDBHSA-N 1 2 424.492 0.849 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000670532776 1078666146 /nfs/dbraw/zinc/66/61/46/1078666146.db2.gz KOZUVEKRFDDSRH-GOSISDBHSA-N 1 2 424.492 0.849 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000670532777 1078666007 /nfs/dbraw/zinc/66/60/07/1078666007.db2.gz KOZUVEKRFDDSRH-SFHVURJKSA-N 1 2 424.492 0.849 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000670532777 1078666001 /nfs/dbraw/zinc/66/60/01/1078666001.db2.gz KOZUVEKRFDDSRH-SFHVURJKSA-N 1 2 424.492 0.849 20 0 HCADLO CN(C)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000670532858 1078666679 /nfs/dbraw/zinc/66/66/79/1078666679.db2.gz SBABOBUCUWOYQB-IBGZPJMESA-N 1 2 411.506 0.781 20 0 HCADLO CN(C)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000670532858 1078666676 /nfs/dbraw/zinc/66/66/76/1078666676.db2.gz SBABOBUCUWOYQB-IBGZPJMESA-N 1 2 411.506 0.781 20 0 HCADLO CN(C)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000670532859 1078666542 /nfs/dbraw/zinc/66/65/42/1078666542.db2.gz SBABOBUCUWOYQB-LJQANCHMSA-N 1 2 411.506 0.781 20 0 HCADLO CN(C)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000670532859 1078666537 /nfs/dbraw/zinc/66/65/37/1078666537.db2.gz SBABOBUCUWOYQB-LJQANCHMSA-N 1 2 411.506 0.781 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000670532907 1078664019 /nfs/dbraw/zinc/66/40/19/1078664019.db2.gz ZZFVCGCQZYNRTK-SFHVURJKSA-N 1 2 405.495 0.004 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000670532907 1078664016 /nfs/dbraw/zinc/66/40/16/1078664016.db2.gz ZZFVCGCQZYNRTK-SFHVURJKSA-N 1 2 405.495 0.004 20 0 HCADLO COC1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000670532948 1078664603 /nfs/dbraw/zinc/66/46/03/1078664603.db2.gz GGKPCMITIMZKDK-GOSISDBHSA-N 1 2 405.495 0.315 20 0 HCADLO COC1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000670532948 1078664598 /nfs/dbraw/zinc/66/45/98/1078664598.db2.gz GGKPCMITIMZKDK-GOSISDBHSA-N 1 2 405.495 0.315 20 0 HCADLO COC1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000670532949 1078664762 /nfs/dbraw/zinc/66/47/62/1078664762.db2.gz GGKPCMITIMZKDK-SFHVURJKSA-N 1 2 405.495 0.315 20 0 HCADLO COC1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000670532949 1078664757 /nfs/dbraw/zinc/66/47/57/1078664757.db2.gz GGKPCMITIMZKDK-SFHVURJKSA-N 1 2 405.495 0.315 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCC(OCCCO)CC1 ZINC000670532973 1078664717 /nfs/dbraw/zinc/66/47/17/1078664717.db2.gz JTXUCZWSWWKUQF-HXUWFJFHSA-N 1 2 419.522 0.394 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCC(OCCCO)CC1 ZINC000670532973 1078664713 /nfs/dbraw/zinc/66/47/13/1078664713.db2.gz JTXUCZWSWWKUQF-HXUWFJFHSA-N 1 2 419.522 0.394 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000670533024 1078665264 /nfs/dbraw/zinc/66/52/64/1078665264.db2.gz QMNZPCGPBONIJG-PMACEKPBSA-N 1 2 423.517 0.794 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000670533024 1078665261 /nfs/dbraw/zinc/66/52/61/1078665261.db2.gz QMNZPCGPBONIJG-PMACEKPBSA-N 1 2 423.517 0.794 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000670533025 1078665377 /nfs/dbraw/zinc/66/53/77/1078665377.db2.gz QMNZPCGPBONIJG-UXHICEINSA-N 1 2 423.517 0.794 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000670533025 1078665370 /nfs/dbraw/zinc/66/53/70/1078665370.db2.gz QMNZPCGPBONIJG-UXHICEINSA-N 1 2 423.517 0.794 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000670533026 1078665401 /nfs/dbraw/zinc/66/54/01/1078665401.db2.gz QMNZPCGPBONIJG-VQTJNVASSA-N 1 2 423.517 0.794 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000670533026 1078665395 /nfs/dbraw/zinc/66/53/95/1078665395.db2.gz QMNZPCGPBONIJG-VQTJNVASSA-N 1 2 423.517 0.794 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000670533027 1078665328 /nfs/dbraw/zinc/66/53/28/1078665328.db2.gz QMNZPCGPBONIJG-WOJBJXKFSA-N 1 2 423.517 0.794 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000670533027 1078665323 /nfs/dbraw/zinc/66/53/23/1078665323.db2.gz QMNZPCGPBONIJG-WOJBJXKFSA-N 1 2 423.517 0.794 20 0 HCADLO CN(C)c1nc(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000670533082 1078661839 /nfs/dbraw/zinc/66/18/39/1078661839.db2.gz ATXVDMWOODXWRN-KRWDZBQOSA-N 1 2 417.535 0.843 20 0 HCADLO CN(C)c1nc(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000670533082 1078661832 /nfs/dbraw/zinc/66/18/32/1078661832.db2.gz ATXVDMWOODXWRN-KRWDZBQOSA-N 1 2 417.535 0.843 20 0 HCADLO CN(C)c1nc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000670533083 1078661930 /nfs/dbraw/zinc/66/19/30/1078661930.db2.gz ATXVDMWOODXWRN-QGZVFWFLSA-N 1 2 417.535 0.843 20 0 HCADLO CN(C)c1nc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000670533083 1078661927 /nfs/dbraw/zinc/66/19/27/1078661927.db2.gz ATXVDMWOODXWRN-QGZVFWFLSA-N 1 2 417.535 0.843 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000670533262 1078660153 /nfs/dbraw/zinc/66/01/53/1078660153.db2.gz XZGHGZBFADMKMB-IBGZPJMESA-N 1 2 424.505 0.142 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000670533262 1078660149 /nfs/dbraw/zinc/66/01/49/1078660149.db2.gz XZGHGZBFADMKMB-IBGZPJMESA-N 1 2 424.505 0.142 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000670533263 1078660840 /nfs/dbraw/zinc/66/08/40/1078660840.db2.gz XZGHGZBFADMKMB-LJQANCHMSA-N 1 2 424.505 0.142 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000670533263 1078660837 /nfs/dbraw/zinc/66/08/37/1078660837.db2.gz XZGHGZBFADMKMB-LJQANCHMSA-N 1 2 424.505 0.142 20 0 HCADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000670537445 1078677948 /nfs/dbraw/zinc/67/79/48/1078677948.db2.gz NNQTZLOTXFXKCC-SFHVURJKSA-N 1 2 402.539 0.946 20 0 HCADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000670537445 1078677947 /nfs/dbraw/zinc/67/79/47/1078677947.db2.gz NNQTZLOTXFXKCC-SFHVURJKSA-N 1 2 402.539 0.946 20 0 HCADLO C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000670546426 1078718463 /nfs/dbraw/zinc/71/84/63/1078718463.db2.gz PRPPISFOQQNOFZ-INIZCTEOSA-N 1 2 410.478 0.509 20 0 HCADLO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000670546427 1078718618 /nfs/dbraw/zinc/71/86/18/1078718618.db2.gz PRPPISFOQQNOFZ-MRXNPFEDSA-N 1 2 410.478 0.509 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCc2ccccc2OC)CC1 ZINC000670630665 1079045423 /nfs/dbraw/zinc/04/54/23/1079045423.db2.gz PHLIKTCVAROEKT-UHFFFAOYSA-N 1 2 418.538 0.757 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCc2ccccc2OC)CC1 ZINC000670630665 1079045417 /nfs/dbraw/zinc/04/54/17/1079045417.db2.gz PHLIKTCVAROEKT-UHFFFAOYSA-N 1 2 418.538 0.757 20 0 HCADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1Cl ZINC000670633709 1079053773 /nfs/dbraw/zinc/05/37/73/1079053773.db2.gz AKQFJYCVOSNVBU-HNNXBMFYSA-N 1 2 416.931 0.067 20 0 HCADLO C[NH+](C)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1Cl ZINC000670633710 1079053782 /nfs/dbraw/zinc/05/37/82/1079053782.db2.gz AKQFJYCVOSNVBU-OAHLLOKOSA-N 1 2 416.931 0.067 20 0 HCADLO O=C(NCCCN1CCCCCC1=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000670634491 1079056152 /nfs/dbraw/zinc/05/61/52/1079056152.db2.gz LZNCDHMXIDFMMN-GOSISDBHSA-N 1 2 408.543 0.609 20 0 HCADLO O=C(NCCCN1CCCCCC1=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000670634492 1079056209 /nfs/dbraw/zinc/05/62/09/1079056209.db2.gz LZNCDHMXIDFMMN-SFHVURJKSA-N 1 2 408.543 0.609 20 0 HCADLO O=C(NCCCN1CCCCCC1=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000670636630 1079071535 /nfs/dbraw/zinc/07/15/35/1079071535.db2.gz MCULICDSQOVXQD-MSOLQXFVSA-N 1 2 408.543 0.655 20 0 HCADLO O=C(NCCCN1CCCCCC1=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000670636631 1079071383 /nfs/dbraw/zinc/07/13/83/1079071383.db2.gz MCULICDSQOVXQD-QZTJIDSGSA-N 1 2 408.543 0.655 20 0 HCADLO O=C(NCCCN1CCCCCC1=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000670636632 1079071471 /nfs/dbraw/zinc/07/14/71/1079071471.db2.gz MCULICDSQOVXQD-ROUUACIJSA-N 1 2 408.543 0.655 20 0 HCADLO O=C(NCCCN1CCCCCC1=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000670636633 1079071559 /nfs/dbraw/zinc/07/15/59/1079071559.db2.gz MCULICDSQOVXQD-ZWKOTPCHSA-N 1 2 408.543 0.655 20 0 HCADLO Cc1nc(N2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)cc[nH+]1 ZINC000670638586 1079072537 /nfs/dbraw/zinc/07/25/37/1079072537.db2.gz ZJDWROQTLMVEEF-UHFFFAOYSA-N 1 2 402.499 0.343 20 0 HCADLO O=C(CN1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1)N1CCCc2ccccc21 ZINC000670639501 1079073038 /nfs/dbraw/zinc/07/30/38/1079073038.db2.gz NCPILHRPSNFLSE-UHFFFAOYSA-N 1 2 424.505 0.123 20 0 HCADLO CCOc1ccc(C(=O)N2CCC(NC(=O)C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000670639641 1079085713 /nfs/dbraw/zinc/08/57/13/1079085713.db2.gz AZZWFVSVYAZPPM-UHFFFAOYSA-N 1 2 413.478 0.819 20 0 HCADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000670639696 1079086082 /nfs/dbraw/zinc/08/60/82/1079086082.db2.gz HUHAPTGJNOSBBD-UHFFFAOYSA-N 1 2 403.870 0.566 20 0 HCADLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000670639757 1079086171 /nfs/dbraw/zinc/08/61/71/1079086171.db2.gz KEHNWFNIXSZDJS-HNNXBMFYSA-N 1 2 416.457 0.310 20 0 HCADLO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000670639758 1079086213 /nfs/dbraw/zinc/08/62/13/1079086213.db2.gz KEHNWFNIXSZDJS-OAHLLOKOSA-N 1 2 416.457 0.310 20 0 HCADLO O=C(NCCn1cc[nH+]c1)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000670639814 1079084782 /nfs/dbraw/zinc/08/47/82/1079084782.db2.gz GJHMWOGVLHSXMR-UHFFFAOYSA-N 1 2 418.885 0.118 20 0 HCADLO CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000670639857 1079085142 /nfs/dbraw/zinc/08/51/42/1079085142.db2.gz DGKHQOYSOPBDMA-UHFFFAOYSA-N 1 2 406.508 0.887 20 0 HCADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000670639858 1079085170 /nfs/dbraw/zinc/08/51/70/1079085170.db2.gz FKYSOTWKLJVTPG-KRWDZBQOSA-N 1 2 405.886 0.531 20 0 HCADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000670639859 1079085124 /nfs/dbraw/zinc/08/51/24/1079085124.db2.gz FKYSOTWKLJVTPG-QGZVFWFLSA-N 1 2 405.886 0.531 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000670639871 1079085149 /nfs/dbraw/zinc/08/51/49/1079085149.db2.gz MBOXLPGKRGMGFI-UHFFFAOYSA-N 1 2 419.507 0.277 20 0 HCADLO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670640752 1079094616 /nfs/dbraw/zinc/09/46/16/1079094616.db2.gz UEVOHUIWMFAFQF-HNNXBMFYSA-N 1 2 416.482 0.418 20 0 HCADLO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670640753 1079094745 /nfs/dbraw/zinc/09/47/45/1079094745.db2.gz UEVOHUIWMFAFQF-OAHLLOKOSA-N 1 2 416.482 0.418 20 0 HCADLO O=C(CCNC(=O)C(=O)NCc1ccc(Cl)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000670655894 1079146600 /nfs/dbraw/zinc/14/66/00/1079146600.db2.gz AYVOUUIVNDGNKJ-UHFFFAOYSA-N 1 2 419.869 0.799 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2ccc(Cl)o2)CC1 ZINC000670658074 1079149532 /nfs/dbraw/zinc/14/95/32/1079149532.db2.gz WNHJAQQSRVNTPA-UHFFFAOYSA-N 1 2 403.830 0.575 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)[NH+]1CCOCC1 ZINC000670664877 1079171846 /nfs/dbraw/zinc/17/18/46/1079171846.db2.gz FWHCPYIJGDRYIM-APWZRJJASA-N 1 2 414.510 0.918 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)[NH+]1CCOCC1 ZINC000670664878 1079171618 /nfs/dbraw/zinc/17/16/18/1079171618.db2.gz FWHCPYIJGDRYIM-LPHOPBHVSA-N 1 2 414.510 0.918 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)[NH+]1CCOCC1 ZINC000670664879 1079171756 /nfs/dbraw/zinc/17/17/56/1079171756.db2.gz FWHCPYIJGDRYIM-QFBILLFUSA-N 1 2 414.510 0.918 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)[NH+]1CCOCC1 ZINC000670664880 1079171807 /nfs/dbraw/zinc/17/18/07/1079171807.db2.gz FWHCPYIJGDRYIM-VQIMIIECSA-N 1 2 414.510 0.918 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-n2cncn2)cc1 ZINC000670665129 1079175771 /nfs/dbraw/zinc/17/57/71/1079175771.db2.gz MJYIARATFPZQHO-APWZRJJASA-N 1 2 412.494 0.768 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-n2cncn2)cc1 ZINC000670665130 1079175751 /nfs/dbraw/zinc/17/57/51/1079175751.db2.gz MJYIARATFPZQHO-LPHOPBHVSA-N 1 2 412.494 0.768 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-n2cncn2)cc1 ZINC000670665131 1079175638 /nfs/dbraw/zinc/17/56/38/1079175638.db2.gz MJYIARATFPZQHO-QFBILLFUSA-N 1 2 412.494 0.768 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-n2cncn2)cc1 ZINC000670665132 1079175724 /nfs/dbraw/zinc/17/57/24/1079175724.db2.gz MJYIARATFPZQHO-VQIMIIECSA-N 1 2 412.494 0.768 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000670665289 1079168266 /nfs/dbraw/zinc/16/82/66/1079168266.db2.gz PXYCMRWGGHZQIX-INIZCTEOSA-N 1 2 400.483 0.625 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000670665290 1079168259 /nfs/dbraw/zinc/16/82/59/1079168259.db2.gz PXYCMRWGGHZQIX-MRXNPFEDSA-N 1 2 400.483 0.625 20 0 HCADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)CC2)cc[nH+]1 ZINC000670670280 1079191627 /nfs/dbraw/zinc/19/16/27/1079191627.db2.gz YDZKCKIPKUDOHL-HNNXBMFYSA-N 1 2 420.477 0.892 20 0 HCADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)CC2)cc[nH+]1 ZINC000670670281 1079191507 /nfs/dbraw/zinc/19/15/07/1079191507.db2.gz YDZKCKIPKUDOHL-OAHLLOKOSA-N 1 2 420.477 0.892 20 0 HCADLO O=C(NCCOC[C@H]1CCOC1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000670678520 1079211186 /nfs/dbraw/zinc/21/11/86/1079211186.db2.gz DWJRUIFGVNQYPY-KRWDZBQOSA-N 1 2 405.495 0.304 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000670678521 1079211269 /nfs/dbraw/zinc/21/12/69/1079211269.db2.gz DWJRUIFGVNQYPY-QGZVFWFLSA-N 1 2 405.495 0.304 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000670678580 1079211281 /nfs/dbraw/zinc/21/12/81/1079211281.db2.gz YQBBNHXCYDSVJS-UHFFFAOYSA-N 1 2 424.492 0.981 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000670678583 1079211648 /nfs/dbraw/zinc/21/16/48/1079211648.db2.gz ZBQRUXHSVMUYSF-PMACEKPBSA-N 1 2 417.506 0.541 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000670678584 1079211618 /nfs/dbraw/zinc/21/16/18/1079211618.db2.gz ZBQRUXHSVMUYSF-UXHICEINSA-N 1 2 417.506 0.541 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000670678585 1079211532 /nfs/dbraw/zinc/21/15/32/1079211532.db2.gz ZBQRUXHSVMUYSF-VQTJNVASSA-N 1 2 417.506 0.541 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000670678670 1079213110 /nfs/dbraw/zinc/21/31/10/1079213110.db2.gz XGNSSSYOAVJIKR-UHFFFAOYSA-N 1 2 405.495 0.135 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCC(OCCCO)CC1 ZINC000670678694 1079213121 /nfs/dbraw/zinc/21/31/21/1079213121.db2.gz FSHLRGHWYQFARY-UHFFFAOYSA-N 1 2 419.522 0.525 20 0 HCADLO NC(=O)C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000670678736 1079213220 /nfs/dbraw/zinc/21/32/20/1079213220.db2.gz QQAIGMFJSOFCIJ-MRXNPFEDSA-N 1 2 402.495 0.249 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000670678755 1079213192 /nfs/dbraw/zinc/21/31/92/1079213192.db2.gz XHGUVYNBMCZIGH-FQEVSTJZSA-N 1 2 423.517 0.925 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000670678756 1079213132 /nfs/dbraw/zinc/21/31/32/1079213132.db2.gz XHGUVYNBMCZIGH-HXUWFJFHSA-N 1 2 423.517 0.925 20 0 HCADLO COC1(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000670678764 1079212855 /nfs/dbraw/zinc/21/28/55/1079212855.db2.gz ZUOYRZJJOOUUDD-UHFFFAOYSA-N 1 2 405.495 0.447 20 0 HCADLO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000670678818 1079212774 /nfs/dbraw/zinc/21/27/74/1079212774.db2.gz NVYJUOLDBLXYLE-HNNXBMFYSA-N 1 2 403.401 0.517 20 0 HCADLO CN(C)c1nc(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000670678832 1079212680 /nfs/dbraw/zinc/21/26/80/1079212680.db2.gz QAHUXUNSNRSKIK-UHFFFAOYSA-N 1 2 417.535 0.974 20 0 HCADLO COc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(OC)c1OC ZINC000670679449 1079211913 /nfs/dbraw/zinc/21/19/13/1079211913.db2.gz QLXXWJSZVCZNPR-INIZCTEOSA-N 1 2 421.494 0.652 20 0 HCADLO COc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc(OC)c1OC ZINC000670679450 1079211886 /nfs/dbraw/zinc/21/18/86/1079211886.db2.gz QLXXWJSZVCZNPR-MRXNPFEDSA-N 1 2 421.494 0.652 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1cc2ccccc2o1 ZINC000670687513 1079217426 /nfs/dbraw/zinc/21/74/26/1079217426.db2.gz RJRSJBXTDPEANU-DZGCQCFKSA-N 1 2 402.451 0.255 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1cc2ccccc2o1 ZINC000670687513 1079217420 /nfs/dbraw/zinc/21/74/20/1079217420.db2.gz RJRSJBXTDPEANU-DZGCQCFKSA-N 1 2 402.451 0.255 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1cc2ccccc2o1 ZINC000670687515 1079217792 /nfs/dbraw/zinc/21/77/92/1079217792.db2.gz RJRSJBXTDPEANU-UKRRQHHQSA-N 1 2 402.451 0.255 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1cc2ccccc2o1 ZINC000670687515 1079217786 /nfs/dbraw/zinc/21/77/86/1079217786.db2.gz RJRSJBXTDPEANU-UKRRQHHQSA-N 1 2 402.451 0.255 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)c1cc2ccccc2o1 ZINC000670687516 1079217731 /nfs/dbraw/zinc/21/77/31/1079217731.db2.gz RJRSJBXTDPEANU-ZFWWWQNUSA-N 1 2 402.451 0.255 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1cc2ccccc2o1 ZINC000670687516 1079217720 /nfs/dbraw/zinc/21/77/20/1079217720.db2.gz RJRSJBXTDPEANU-ZFWWWQNUSA-N 1 2 402.451 0.255 20 0 HCADLO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000670692822 1079230163 /nfs/dbraw/zinc/23/01/63/1079230163.db2.gz FMMKDAMOUZHBMT-CABCVRRESA-N 1 2 409.483 0.033 20 0 HCADLO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000670692823 1079230263 /nfs/dbraw/zinc/23/02/63/1079230263.db2.gz FMMKDAMOUZHBMT-GJZGRUSLSA-N 1 2 409.483 0.033 20 0 HCADLO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000670692824 1079230283 /nfs/dbraw/zinc/23/02/83/1079230283.db2.gz FMMKDAMOUZHBMT-HUUCEWRRSA-N 1 2 409.483 0.033 20 0 HCADLO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000670692825 1079230146 /nfs/dbraw/zinc/23/01/46/1079230146.db2.gz FMMKDAMOUZHBMT-LSDHHAIUSA-N 1 2 409.483 0.033 20 0 HCADLO CCOc1cc2c(cc1CNC(=O)C(=O)N1CC[NH+](CCOC)CC1)O[C@@H](C)C2 ZINC000670700367 1079241608 /nfs/dbraw/zinc/24/16/08/1079241608.db2.gz KTVDHAMYNHOEEN-HNNXBMFYSA-N 1 2 405.495 0.816 20 0 HCADLO CCOc1cc2c(cc1CNC(=O)C(=O)N1CC[NH+](CCOC)CC1)O[C@H](C)C2 ZINC000670700368 1079241651 /nfs/dbraw/zinc/24/16/51/1079241651.db2.gz KTVDHAMYNHOEEN-OAHLLOKOSA-N 1 2 405.495 0.816 20 0 HCADLO C[C@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711020 1079272816 /nfs/dbraw/zinc/27/28/16/1079272816.db2.gz YLGUPHNRYFOOIK-AWEZNQCLSA-N 1 2 416.503 0.643 20 0 HCADLO C[C@@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711021 1079272920 /nfs/dbraw/zinc/27/29/20/1079272920.db2.gz YLGUPHNRYFOOIK-CQSZACIVSA-N 1 2 416.503 0.643 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711026 1079271614 /nfs/dbraw/zinc/27/16/14/1079271614.db2.gz ZSNOYPHRIDCSDB-DZGCQCFKSA-N 1 2 417.491 0.301 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711027 1079271875 /nfs/dbraw/zinc/27/18/75/1079271875.db2.gz ZSNOYPHRIDCSDB-HIFRSBDPSA-N 1 2 417.491 0.301 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711028 1079271560 /nfs/dbraw/zinc/27/15/60/1079271560.db2.gz ZSNOYPHRIDCSDB-UKRRQHHQSA-N 1 2 417.491 0.301 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711029 1079271695 /nfs/dbraw/zinc/27/16/95/1079271695.db2.gz ZSNOYPHRIDCSDB-ZFWWWQNUSA-N 1 2 417.491 0.301 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000670711078 1079271762 /nfs/dbraw/zinc/27/17/62/1079271762.db2.gz LTLLICVTWMQTLZ-ACJLOTCBSA-N 1 2 416.503 0.814 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000670711078 1079271747 /nfs/dbraw/zinc/27/17/47/1079271747.db2.gz LTLLICVTWMQTLZ-ACJLOTCBSA-N 1 2 416.503 0.814 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000670711079 1079271505 /nfs/dbraw/zinc/27/15/05/1079271505.db2.gz LTLLICVTWMQTLZ-FZKQIMNGSA-N 1 2 416.503 0.814 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000670711079 1079271498 /nfs/dbraw/zinc/27/14/98/1079271498.db2.gz LTLLICVTWMQTLZ-FZKQIMNGSA-N 1 2 416.503 0.814 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000670711080 1079271658 /nfs/dbraw/zinc/27/16/58/1079271658.db2.gz LTLLICVTWMQTLZ-SCLBCKFNSA-N 1 2 416.503 0.814 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000670711080 1079271643 /nfs/dbraw/zinc/27/16/43/1079271643.db2.gz LTLLICVTWMQTLZ-SCLBCKFNSA-N 1 2 416.503 0.814 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000670711081 1079271838 /nfs/dbraw/zinc/27/18/38/1079271838.db2.gz LTLLICVTWMQTLZ-UGSOOPFHSA-N 1 2 416.503 0.814 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000670711081 1079271823 /nfs/dbraw/zinc/27/18/23/1079271823.db2.gz LTLLICVTWMQTLZ-UGSOOPFHSA-N 1 2 416.503 0.814 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711268 1079270858 /nfs/dbraw/zinc/27/08/58/1079270858.db2.gz NHGBGOGDHWCDQT-DZGCQCFKSA-N 1 2 405.480 0.571 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711269 1079271161 /nfs/dbraw/zinc/27/11/61/1079271161.db2.gz NHGBGOGDHWCDQT-HIFRSBDPSA-N 1 2 405.480 0.571 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711270 1079271125 /nfs/dbraw/zinc/27/11/25/1079271125.db2.gz NHGBGOGDHWCDQT-UKRRQHHQSA-N 1 2 405.480 0.571 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000670711271 1079271036 /nfs/dbraw/zinc/27/10/36/1079271036.db2.gz NHGBGOGDHWCDQT-ZFWWWQNUSA-N 1 2 405.480 0.571 20 0 HCADLO COc1ccc(OCCNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000670721619 1078486016 /nfs/dbraw/zinc/48/60/16/1078486016.db2.gz QGCYKBFUYGGEPU-KRWDZBQOSA-N 1 2 405.495 0.904 20 0 HCADLO COc1ccc(OCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000670721620 1078486131 /nfs/dbraw/zinc/48/61/31/1078486131.db2.gz QGCYKBFUYGGEPU-QGZVFWFLSA-N 1 2 405.495 0.904 20 0 HCADLO COc1ccc(OCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000670722755 1078494453 /nfs/dbraw/zinc/49/44/53/1078494453.db2.gz IVAIBHCESYZUJW-MOPGFXCFSA-N 1 2 405.495 0.950 20 0 HCADLO COc1ccc(OCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000670722756 1078494334 /nfs/dbraw/zinc/49/43/34/1078494334.db2.gz IVAIBHCESYZUJW-OALUTQOASA-N 1 2 405.495 0.950 20 0 HCADLO COc1ccc(OCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000670722757 1078494766 /nfs/dbraw/zinc/49/47/66/1078494766.db2.gz IVAIBHCESYZUJW-RBUKOAKNSA-N 1 2 405.495 0.950 20 0 HCADLO COc1ccc(OCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000670722758 1078494678 /nfs/dbraw/zinc/49/46/78/1078494678.db2.gz IVAIBHCESYZUJW-RTBURBONSA-N 1 2 405.495 0.950 20 0 HCADLO O=C(N[C@@H](CN1CCOCC1)c1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000670725386 1078509340 /nfs/dbraw/zinc/50/93/40/1078509340.db2.gz GXFHQUFDYAZQNM-PMACEKPBSA-N 1 2 423.517 0.966 20 0 HCADLO O=C(N[C@@H](CN1CCOCC1)c1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000670725387 1078510161 /nfs/dbraw/zinc/51/01/61/1078510161.db2.gz GXFHQUFDYAZQNM-UXHICEINSA-N 1 2 423.517 0.966 20 0 HCADLO O=C(N[C@H](CN1CCOCC1)c1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000670725388 1078510237 /nfs/dbraw/zinc/51/02/37/1078510237.db2.gz GXFHQUFDYAZQNM-VQTJNVASSA-N 1 2 423.517 0.966 20 0 HCADLO O=C(N[C@H](CN1CCOCC1)c1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000670725389 1078510130 /nfs/dbraw/zinc/51/01/30/1078510130.db2.gz GXFHQUFDYAZQNM-WOJBJXKFSA-N 1 2 423.517 0.966 20 0 HCADLO Cn1ccnc1[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000670730706 1078538216 /nfs/dbraw/zinc/53/82/16/1078538216.db2.gz HALOUSBSERNFLY-MOPGFXCFSA-N 1 2 411.506 0.949 20 0 HCADLO Cn1ccnc1[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000670730707 1078538108 /nfs/dbraw/zinc/53/81/08/1078538108.db2.gz HALOUSBSERNFLY-OALUTQOASA-N 1 2 411.506 0.949 20 0 HCADLO Cn1ccnc1[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000670730708 1078538293 /nfs/dbraw/zinc/53/82/93/1078538293.db2.gz HALOUSBSERNFLY-RBUKOAKNSA-N 1 2 411.506 0.949 20 0 HCADLO Cn1ccnc1[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000670730709 1078538156 /nfs/dbraw/zinc/53/81/56/1078538156.db2.gz HALOUSBSERNFLY-RTBURBONSA-N 1 2 411.506 0.949 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000670740336 1078589395 /nfs/dbraw/zinc/58/93/95/1078589395.db2.gz IISWGEGUCKTQPF-UHFFFAOYSA-N 1 2 407.496 0.097 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000670740343 1078589109 /nfs/dbraw/zinc/58/91/09/1078589109.db2.gz ISHATVUNOFDNHQ-INIZCTEOSA-N 1 2 419.507 0.481 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000670740344 1078589123 /nfs/dbraw/zinc/58/91/23/1078589123.db2.gz ISHATVUNOFDNHQ-MRXNPFEDSA-N 1 2 419.507 0.481 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000670740413 1078588192 /nfs/dbraw/zinc/58/81/92/1078588192.db2.gz LDMBXCUNXPSGKL-UHFFFAOYSA-N 1 2 415.475 0.316 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000670740730 1078596770 /nfs/dbraw/zinc/59/67/70/1078596770.db2.gz WPUITPDJUPPTNW-UHFFFAOYSA-N 1 2 419.507 0.481 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000670740730 1078596761 /nfs/dbraw/zinc/59/67/61/1078596761.db2.gz WPUITPDJUPPTNW-UHFFFAOYSA-N 1 2 419.507 0.481 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000670741184 1078608181 /nfs/dbraw/zinc/60/81/81/1078608181.db2.gz KVKIBVOJJPOCOH-UHFFFAOYSA-N 1 2 419.507 0.481 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000670741623 1078598056 /nfs/dbraw/zinc/59/80/56/1078598056.db2.gz YEIKNEKMMUDQAW-UHFFFAOYSA-N 1 2 419.507 0.365 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000670741804 1078606955 /nfs/dbraw/zinc/60/69/55/1078606955.db2.gz CXZHKCABMPYMLE-INIZCTEOSA-N 1 2 419.507 0.102 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000670741805 1078607150 /nfs/dbraw/zinc/60/71/50/1078607150.db2.gz CXZHKCABMPYMLE-MRXNPFEDSA-N 1 2 419.507 0.102 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000670741915 1078606267 /nfs/dbraw/zinc/60/62/67/1078606267.db2.gz GZMWOXNSKGBLRN-KRWDZBQOSA-N 1 2 419.507 0.412 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000670741916 1078606344 /nfs/dbraw/zinc/60/63/44/1078606344.db2.gz GZMWOXNSKGBLRN-QGZVFWFLSA-N 1 2 419.507 0.412 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000670742437 1078612286 /nfs/dbraw/zinc/61/22/86/1078612286.db2.gz VGGNODRXGNVITE-UHFFFAOYSA-N 1 2 419.507 0.412 20 0 HCADLO O=C(NCc1ccccc1Cn1cccn1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670743736 1078627099 /nfs/dbraw/zinc/62/70/99/1078627099.db2.gz XHXIASYCLZFQMN-FQEVSTJZSA-N 1 2 411.506 0.871 20 0 HCADLO O=C(NCc1ccccc1Cn1cccn1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670743737 1078627226 /nfs/dbraw/zinc/62/72/26/1078627226.db2.gz XHXIASYCLZFQMN-HXUWFJFHSA-N 1 2 411.506 0.871 20 0 HCADLO Cc1nc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000670748024 1078646222 /nfs/dbraw/zinc/64/62/22/1078646222.db2.gz BCVHEWSXXQYWCX-UHFFFAOYSA-N 1 2 416.507 0.318 20 0 HCADLO Cc1nc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cs1 ZINC000670749941 1078653162 /nfs/dbraw/zinc/65/31/62/1078653162.db2.gz OWXFZCYPMVNURL-UHFFFAOYSA-N 1 2 400.468 0.093 20 0 HCADLO Cc1nc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cs1 ZINC000670753236 1078658389 /nfs/dbraw/zinc/65/83/89/1078658389.db2.gz TWBZYHOSSJXUAR-AWEZNQCLSA-N 1 2 402.524 0.790 20 0 HCADLO Cc1nc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)cs1 ZINC000670753237 1078658431 /nfs/dbraw/zinc/65/84/31/1078658431.db2.gz TWBZYHOSSJXUAR-CQSZACIVSA-N 1 2 402.524 0.790 20 0 HCADLO Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000670769279 1078675094 /nfs/dbraw/zinc/67/50/94/1078675094.db2.gz SNDKWNVVWJMTQI-UHFFFAOYSA-N 1 2 405.480 0.312 20 0 HCADLO O=C(NCc1ccc(N2CCOCC2)nc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000670770756 1078681286 /nfs/dbraw/zinc/68/12/86/1078681286.db2.gz NZHHPDMXDIDQQL-KRWDZBQOSA-N 1 2 410.478 0.325 20 0 HCADLO O=C(NCc1ccc(N2CCOCC2)nc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000670770757 1078681906 /nfs/dbraw/zinc/68/19/06/1078681906.db2.gz NZHHPDMXDIDQQL-QGZVFWFLSA-N 1 2 410.478 0.325 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000670770832 1078681742 /nfs/dbraw/zinc/68/17/42/1078681742.db2.gz ZLYBIMVTRYZSHP-IBGZPJMESA-N 1 2 409.490 0.837 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000670770832 1078681736 /nfs/dbraw/zinc/68/17/36/1078681736.db2.gz ZLYBIMVTRYZSHP-IBGZPJMESA-N 1 2 409.490 0.837 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000670770833 1078681971 /nfs/dbraw/zinc/68/19/71/1078681971.db2.gz ZLYBIMVTRYZSHP-LJQANCHMSA-N 1 2 409.490 0.837 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000670770833 1078681968 /nfs/dbraw/zinc/68/19/68/1078681968.db2.gz ZLYBIMVTRYZSHP-LJQANCHMSA-N 1 2 409.490 0.837 20 0 HCADLO O=C(NCc1ccc(N2CCOCC2)nc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000670770950 1078683670 /nfs/dbraw/zinc/68/36/70/1078683670.db2.gz UAFALXJAYFBDHR-UHFFFAOYSA-N 1 2 423.517 0.879 20 0 HCADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000670771909 1078682590 /nfs/dbraw/zinc/68/25/90/1078682590.db2.gz JKLXOCFMXNZZLV-FGTMMUONSA-N 1 2 410.559 0.314 20 0 HCADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000670771909 1078682588 /nfs/dbraw/zinc/68/25/88/1078682588.db2.gz JKLXOCFMXNZZLV-FGTMMUONSA-N 1 2 410.559 0.314 20 0 HCADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000670771910 1078682577 /nfs/dbraw/zinc/68/25/77/1078682577.db2.gz JKLXOCFMXNZZLV-KSZLIROESA-N 1 2 410.559 0.314 20 0 HCADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000670771910 1078682574 /nfs/dbraw/zinc/68/25/74/1078682574.db2.gz JKLXOCFMXNZZLV-KSZLIROESA-N 1 2 410.559 0.314 20 0 HCADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000670771911 1078682517 /nfs/dbraw/zinc/68/25/17/1078682517.db2.gz JKLXOCFMXNZZLV-KURKYZTESA-N 1 2 410.559 0.314 20 0 HCADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000670771912 1078682542 /nfs/dbraw/zinc/68/25/42/1078682542.db2.gz JKLXOCFMXNZZLV-KZNAEPCWSA-N 1 2 410.559 0.314 20 0 HCADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@H](C)O1 ZINC000670772316 1078682501 /nfs/dbraw/zinc/68/25/01/1078682501.db2.gz XOFPUZPJIKFRBJ-BBWFWOEESA-N 1 2 403.527 0.781 20 0 HCADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@H](C)O1 ZINC000670772316 1078682497 /nfs/dbraw/zinc/68/24/97/1078682497.db2.gz XOFPUZPJIKFRBJ-BBWFWOEESA-N 1 2 403.527 0.781 20 0 HCADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@@H](C)O1 ZINC000670772317 1078682570 /nfs/dbraw/zinc/68/25/70/1078682570.db2.gz XOFPUZPJIKFRBJ-BRWVUGGUSA-N 1 2 403.527 0.781 20 0 HCADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@H](C)O1 ZINC000670772318 1078681957 /nfs/dbraw/zinc/68/19/57/1078681957.db2.gz XOFPUZPJIKFRBJ-IXDOHACOSA-N 1 2 403.527 0.781 20 0 HCADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@H](C)O1 ZINC000670772318 1078681952 /nfs/dbraw/zinc/68/19/52/1078681952.db2.gz XOFPUZPJIKFRBJ-IXDOHACOSA-N 1 2 403.527 0.781 20 0 HCADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@@H](C)O1 ZINC000670772319 1078681715 /nfs/dbraw/zinc/68/17/15/1078681715.db2.gz XOFPUZPJIKFRBJ-ZACQAIPSSA-N 1 2 403.527 0.781 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000670780162 1078696878 /nfs/dbraw/zinc/69/68/78/1078696878.db2.gz QCDRPCXNZJJJOM-CVEARBPZSA-N 1 2 404.515 0.505 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000670780163 1078696747 /nfs/dbraw/zinc/69/67/47/1078696747.db2.gz QCDRPCXNZJJJOM-HZPDHXFCSA-N 1 2 404.515 0.505 20 0 HCADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670782225 1078696270 /nfs/dbraw/zinc/69/62/70/1078696270.db2.gz CNDGBDWTHJMEAS-INIZCTEOSA-N 1 2 419.507 0.613 20 0 HCADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670782226 1078696240 /nfs/dbraw/zinc/69/62/40/1078696240.db2.gz CNDGBDWTHJMEAS-MRXNPFEDSA-N 1 2 419.507 0.613 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)C(=O)N2CCc3c[nH]nc3C2)CC1)Nc1ccccc1 ZINC000670782320 1078697579 /nfs/dbraw/zinc/69/75/79/1078697579.db2.gz HIUAELWVUBGXLR-UHFFFAOYSA-N 1 2 410.478 0.514 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCOC2)CC1)Nc1ccccc1 ZINC000670782352 1078697509 /nfs/dbraw/zinc/69/75/09/1078697509.db2.gz QUVPRFLFOJWCSW-INIZCTEOSA-N 1 2 402.495 0.749 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCOC2)CC1)Nc1ccccc1 ZINC000670782353 1078697598 /nfs/dbraw/zinc/69/75/98/1078697598.db2.gz QUVPRFLFOJWCSW-MRXNPFEDSA-N 1 2 402.495 0.749 20 0 HCADLO Cc1cc(CNC(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ncn1 ZINC000670782394 1078696665 /nfs/dbraw/zinc/69/66/65/1078696665.db2.gz BWRLEFTZEJQIHY-UHFFFAOYSA-N 1 2 410.478 0.621 20 0 HCADLO COC1(CNC(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC1 ZINC000670782505 1078699553 /nfs/dbraw/zinc/69/95/53/1078699553.db2.gz BJWAQXHAPYTDGS-UHFFFAOYSA-N 1 2 402.495 0.891 20 0 HCADLO C[C@@H]1COCCCN1C(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000670782520 1078699517 /nfs/dbraw/zinc/69/95/17/1078699517.db2.gz IZCOEFLWHAXBEY-MRXNPFEDSA-N 1 2 402.495 0.843 20 0 HCADLO COC[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000670782577 1078696177 /nfs/dbraw/zinc/69/61/77/1078696177.db2.gz BSDFEMBYRQVKGX-GOSISDBHSA-N 1 2 402.495 0.843 20 0 HCADLO COC[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000670782578 1078696769 /nfs/dbraw/zinc/69/67/69/1078696769.db2.gz BSDFEMBYRQVKGX-SFHVURJKSA-N 1 2 402.495 0.843 20 0 HCADLO Cc1cn2c(n1)CN(C(=O)C(=O)NC1CC[NH+](CC(=O)Nc3ccccc3)CC1)CC2 ZINC000670782601 1078696760 /nfs/dbraw/zinc/69/67/60/1078696760.db2.gz GIMHBLUQTHDXFH-UHFFFAOYSA-N 1 2 424.505 0.753 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)CC1)Nc1ccccc1 ZINC000670782613 1078696888 /nfs/dbraw/zinc/69/68/88/1078696888.db2.gz KCKQENBYTVCXIZ-JOCHJYFZSA-N 1 2 414.506 0.845 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)CC1)Nc1ccccc1 ZINC000670782614 1078696830 /nfs/dbraw/zinc/69/68/30/1078696830.db2.gz KCKQENBYTVCXIZ-QFIPXVFZSA-N 1 2 414.506 0.845 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)C(=O)NCc2cscn2)CC1)Nc1ccccc1 ZINC000670782637 1078696733 /nfs/dbraw/zinc/69/67/33/1078696733.db2.gz OFDYIERGKKRFLS-UHFFFAOYSA-N 1 2 401.492 0.979 20 0 HCADLO CN(C[C@H](O)C1CC1)C(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000670782648 1078696845 /nfs/dbraw/zinc/69/68/45/1078696845.db2.gz UBKZKCNTKPYYHL-SFHVURJKSA-N 1 2 402.495 0.435 20 0 HCADLO O=C(NC1CCN(C(=O)c2ccco2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670785286 1078699584 /nfs/dbraw/zinc/69/95/84/1078699584.db2.gz QUZUPGOQZNYPJW-KRWDZBQOSA-N 1 2 418.494 0.324 20 0 HCADLO O=C(NC1CCN(C(=O)c2ccco2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670785287 1078699559 /nfs/dbraw/zinc/69/95/59/1078699559.db2.gz QUZUPGOQZNYPJW-QGZVFWFLSA-N 1 2 418.494 0.324 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000670785545 1078702592 /nfs/dbraw/zinc/70/25/92/1078702592.db2.gz VWFQKBIPVWVPMS-INIZCTEOSA-N 1 2 411.462 0.791 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000670785546 1078702544 /nfs/dbraw/zinc/70/25/44/1078702544.db2.gz VWFQKBIPVWVPMS-MRXNPFEDSA-N 1 2 411.462 0.791 20 0 HCADLO O=C(NCCc1cnn(-c2ccccc2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670785828 1078701934 /nfs/dbraw/zinc/70/19/34/1078701934.db2.gz LMKSWRIACNFSDL-FQEVSTJZSA-N 1 2 411.506 0.854 20 0 HCADLO CCN1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000670786621 1078701312 /nfs/dbraw/zinc/70/13/12/1078701312.db2.gz KSIYHQJZLZSADZ-DLBZAZTESA-N 1 2 402.543 0.391 20 0 HCADLO CCN1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000670786622 1078701384 /nfs/dbraw/zinc/70/13/84/1078701384.db2.gz KSIYHQJZLZSADZ-IAGOWNOFSA-N 1 2 402.543 0.391 20 0 HCADLO CCN1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000670786623 1078701561 /nfs/dbraw/zinc/70/15/61/1078701561.db2.gz KSIYHQJZLZSADZ-IRXDYDNUSA-N 1 2 402.543 0.391 20 0 HCADLO CCN1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000670786624 1078701492 /nfs/dbraw/zinc/70/14/92/1078701492.db2.gz KSIYHQJZLZSADZ-SJORKVTESA-N 1 2 402.543 0.391 20 0 HCADLO CN(C)C(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000670803428 1078723147 /nfs/dbraw/zinc/72/31/47/1078723147.db2.gz BZEPNGRZWSOADP-GOSISDBHSA-N 1 2 402.495 0.328 20 0 HCADLO CN(C)C(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000670803429 1078723188 /nfs/dbraw/zinc/72/31/88/1078723188.db2.gz BZEPNGRZWSOADP-SFHVURJKSA-N 1 2 402.495 0.328 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000670813743 1078735215 /nfs/dbraw/zinc/73/52/15/1078735215.db2.gz OXGCRMNXXRGQGN-INIZCTEOSA-N 1 2 411.547 0.112 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000670813744 1078735933 /nfs/dbraw/zinc/73/59/33/1078735933.db2.gz OXGCRMNXXRGQGN-MRXNPFEDSA-N 1 2 411.547 0.112 20 0 HCADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000670814075 1078740982 /nfs/dbraw/zinc/74/09/82/1078740982.db2.gz PYIFHOYJPDRDHL-HKUYNNGSSA-N 1 2 418.538 0.863 20 0 HCADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000670814078 1078741019 /nfs/dbraw/zinc/74/10/19/1078741019.db2.gz PYIFHOYJPDRDHL-PKOBYXMFSA-N 1 2 418.538 0.863 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(OC(F)F)cn1)[NH+]1CCOCC1 ZINC000670814119 1078741568 /nfs/dbraw/zinc/74/15/68/1078741568.db2.gz YBPPVYCYRCPBIE-HNNXBMFYSA-N 1 2 400.426 0.772 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(OC(F)F)cn1)[NH+]1CCOCC1 ZINC000670814120 1078741471 /nfs/dbraw/zinc/74/14/71/1078741471.db2.gz YBPPVYCYRCPBIE-OAHLLOKOSA-N 1 2 400.426 0.772 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)[NH+]1CCOCC1 ZINC000670814137 1078741503 /nfs/dbraw/zinc/74/15/03/1078741503.db2.gz BBNIWLJRMJBJFK-MSOLQXFVSA-N 1 2 408.543 0.367 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)[NH+]1CCOCC1 ZINC000670814138 1078741617 /nfs/dbraw/zinc/74/16/17/1078741617.db2.gz BBNIWLJRMJBJFK-QZTJIDSGSA-N 1 2 408.543 0.367 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)[NH+]1CCOCC1 ZINC000670814139 1078741457 /nfs/dbraw/zinc/74/14/57/1078741457.db2.gz BBNIWLJRMJBJFK-ROUUACIJSA-N 1 2 408.543 0.367 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)[NH+]1CCOCC1 ZINC000670814140 1078741517 /nfs/dbraw/zinc/74/15/17/1078741517.db2.gz BBNIWLJRMJBJFK-ZWKOTPCHSA-N 1 2 408.543 0.367 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1)[NH+]1CCOCC1 ZINC000670814159 1078741488 /nfs/dbraw/zinc/74/14/88/1078741488.db2.gz GYVIHIMONDVTJC-SFHVURJKSA-N 1 2 402.495 0.335 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[NH+]1CCOCC1 ZINC000670814192 1078741415 /nfs/dbraw/zinc/74/14/15/1078741415.db2.gz NOCRATOAAVVSOH-KRWDZBQOSA-N 1 2 418.542 0.403 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[NH+]1CCOCC1 ZINC000670814193 1078741601 /nfs/dbraw/zinc/74/16/01/1078741601.db2.gz NOCRATOAAVVSOH-QGZVFWFLSA-N 1 2 418.542 0.403 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C2 ZINC000670814200 1078741635 /nfs/dbraw/zinc/74/16/35/1078741635.db2.gz OOKLOXHGQABCEF-DLBZAZTESA-N 1 2 405.495 0.588 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C2 ZINC000670814201 1078741533 /nfs/dbraw/zinc/74/15/33/1078741533.db2.gz OOKLOXHGQABCEF-IAGOWNOFSA-N 1 2 405.495 0.588 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C2 ZINC000670814202 1078741437 /nfs/dbraw/zinc/74/14/37/1078741437.db2.gz OOKLOXHGQABCEF-IRXDYDNUSA-N 1 2 405.495 0.588 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C2 ZINC000670814203 1078741610 /nfs/dbraw/zinc/74/16/10/1078741610.db2.gz OOKLOXHGQABCEF-SJORKVTESA-N 1 2 405.495 0.588 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000670814242 1078741092 /nfs/dbraw/zinc/74/10/92/1078741092.db2.gz VTPZBJXOKQQMOK-IBGZPJMESA-N 1 2 406.502 0.947 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000670814243 1078740932 /nfs/dbraw/zinc/74/09/32/1078740932.db2.gz VTPZBJXOKQQMOK-LJQANCHMSA-N 1 2 406.502 0.947 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000670814252 1078741132 /nfs/dbraw/zinc/74/11/32/1078741132.db2.gz WSJMWNZTXLXGRK-FQEVSTJZSA-N 1 2 402.539 0.804 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)[NH+]1CCOCC1 ZINC000670814330 1078741044 /nfs/dbraw/zinc/74/10/44/1078741044.db2.gz MPBSGECLYOHBCV-GOSISDBHSA-N 1 2 408.568 0.865 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)[NH+]1CCOCC1 ZINC000670814331 1078741140 /nfs/dbraw/zinc/74/11/40/1078741140.db2.gz MPBSGECLYOHBCV-SFHVURJKSA-N 1 2 408.568 0.865 20 0 HCADLO O=C(NCc1ccnc(N2CCCC2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670815931 1078740443 /nfs/dbraw/zinc/74/04/43/1078740443.db2.gz PEBXVVJANOGXEU-GOSISDBHSA-N 1 2 401.511 0.621 20 0 HCADLO O=C(NCc1ccnc(N2CCCC2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670815932 1078740518 /nfs/dbraw/zinc/74/05/18/1078740518.db2.gz PEBXVVJANOGXEU-SFHVURJKSA-N 1 2 401.511 0.621 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000670816131 1078743015 /nfs/dbraw/zinc/74/30/15/1078743015.db2.gz NNWUEVXKGDCCHY-UHFFFAOYSA-N 1 2 416.526 0.950 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000670816318 1078742609 /nfs/dbraw/zinc/74/26/09/1078742609.db2.gz XCBZNQKPUPFXFQ-UHFFFAOYSA-N 1 2 417.510 0.299 20 0 HCADLO Cc1nccnc1N1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000670816370 1078742760 /nfs/dbraw/zinc/74/27/60/1078742760.db2.gz PZYNEQCTIYCPEL-UHFFFAOYSA-N 1 2 409.494 0.745 20 0 HCADLO O=C(NCc1cn2cc(Cl)ccc2n1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670816663 1078742562 /nfs/dbraw/zinc/74/25/62/1078742562.db2.gz DFKJPUGTUGQDOP-INIZCTEOSA-N 1 2 405.886 0.927 20 0 HCADLO O=C(NCc1cn2cc(Cl)ccc2n1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670816664 1078742517 /nfs/dbraw/zinc/74/25/17/1078742517.db2.gz DFKJPUGTUGQDOP-MRXNPFEDSA-N 1 2 405.886 0.927 20 0 HCADLO COc1cc2c(cc1CNC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)O[C@H](C)C2 ZINC000670830211 1078764416 /nfs/dbraw/zinc/76/44/16/1078764416.db2.gz HPLLUKSOMYNJNF-CRAIPNDOSA-N 1 2 417.506 0.958 20 0 HCADLO COc1cc2c(cc1CNC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)O[C@@H](C)C2 ZINC000670830212 1078764513 /nfs/dbraw/zinc/76/45/13/1078764513.db2.gz HPLLUKSOMYNJNF-MAUKXSAKSA-N 1 2 417.506 0.958 20 0 HCADLO COc1cc2c(cc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)O[C@H](C)C2 ZINC000670830213 1078764250 /nfs/dbraw/zinc/76/42/50/1078764250.db2.gz HPLLUKSOMYNJNF-QAPCUYQASA-N 1 2 417.506 0.958 20 0 HCADLO COc1cc2c(cc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)O[C@@H](C)C2 ZINC000670830214 1078764290 /nfs/dbraw/zinc/76/42/90/1078764290.db2.gz HPLLUKSOMYNJNF-YJBOKZPZSA-N 1 2 417.506 0.958 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000670830571 1078763263 /nfs/dbraw/zinc/76/32/63/1078763263.db2.gz HKJNQBNDDFAMHP-HNNXBMFYSA-N 1 2 405.495 0.816 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000670830572 1078760898 /nfs/dbraw/zinc/76/08/98/1078760898.db2.gz HKJNQBNDDFAMHP-OAHLLOKOSA-N 1 2 405.495 0.816 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)NCCN1Cc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000670833653 1078769058 /nfs/dbraw/zinc/76/90/58/1078769058.db2.gz GGSDTSQFPZLCRP-FQEVSTJZSA-N 1 2 401.555 0.507 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)NCCN1Cc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000670833654 1078769184 /nfs/dbraw/zinc/76/91/84/1078769184.db2.gz GGSDTSQFPZLCRP-HXUWFJFHSA-N 1 2 401.555 0.507 20 0 HCADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)[NH+]1CCN(C)CC1 ZINC000670834108 1078773505 /nfs/dbraw/zinc/77/35/05/1078773505.db2.gz UCKGYPOPCURQIR-IBGZPJMESA-N 1 2 421.611 0.781 20 0 HCADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)[NH+]1CCN(C)CC1 ZINC000670834109 1078773823 /nfs/dbraw/zinc/77/38/23/1078773823.db2.gz UCKGYPOPCURQIR-LJQANCHMSA-N 1 2 421.611 0.781 20 0 HCADLO O=C(NC1CCN(C(=O)c2ccoc2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670834714 1078772249 /nfs/dbraw/zinc/77/22/49/1078772249.db2.gz QWKWFWCJXQIUDV-GOSISDBHSA-N 1 2 418.494 0.324 20 0 HCADLO O=C(NC1CCN(C(=O)c2ccoc2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670834715 1078772471 /nfs/dbraw/zinc/77/24/71/1078772471.db2.gz QWKWFWCJXQIUDV-SFHVURJKSA-N 1 2 418.494 0.324 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000670834816 1078782727 /nfs/dbraw/zinc/78/27/27/1078782727.db2.gz OQZWHDAYAREWCX-KRWDZBQOSA-N 1 2 411.462 0.791 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000670834817 1078782630 /nfs/dbraw/zinc/78/26/30/1078782630.db2.gz OQZWHDAYAREWCX-QGZVFWFLSA-N 1 2 411.462 0.791 20 0 HCADLO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000670837217 1078783749 /nfs/dbraw/zinc/78/37/49/1078783749.db2.gz JEKBYDNVUOWIKE-UHFFFAOYSA-N 1 2 405.499 0.054 20 0 HCADLO Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000670838361 1078786275 /nfs/dbraw/zinc/78/62/75/1078786275.db2.gz VXEDDRLUWIXPSN-KRWDZBQOSA-N 1 2 420.485 0.303 20 0 HCADLO Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000670838362 1078786798 /nfs/dbraw/zinc/78/67/98/1078786798.db2.gz VXEDDRLUWIXPSN-QGZVFWFLSA-N 1 2 420.485 0.303 20 0 HCADLO Cc1ccc(C(=O)NCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000670838514 1078787856 /nfs/dbraw/zinc/78/78/56/1078787856.db2.gz NPGFGSTXUPRRCI-INIZCTEOSA-N 1 2 413.453 0.770 20 0 HCADLO Cc1ccc(C(=O)NCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000670838515 1078787711 /nfs/dbraw/zinc/78/77/11/1078787711.db2.gz NPGFGSTXUPRRCI-MRXNPFEDSA-N 1 2 413.453 0.770 20 0 HCADLO Cc1ccc(C(=O)NCCNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000670838603 1078787230 /nfs/dbraw/zinc/78/72/30/1078787230.db2.gz NYOMTGHFDHBWKY-IYBDPMFKSA-N 1 2 422.501 0.548 20 0 HCADLO Cc1ccc(C(=O)NCCNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000670838603 1078787217 /nfs/dbraw/zinc/78/72/17/1078787217.db2.gz NYOMTGHFDHBWKY-IYBDPMFKSA-N 1 2 422.501 0.548 20 0 HCADLO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000670838893 1078787732 /nfs/dbraw/zinc/78/77/32/1078787732.db2.gz OCDIVFOIYRESSK-UHFFFAOYSA-N 1 2 416.503 0.213 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000670838966 1078795999 /nfs/dbraw/zinc/79/59/99/1078795999.db2.gz DNEKRRQLHXHFTP-GOSISDBHSA-N 1 2 416.503 0.384 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000670838966 1078795993 /nfs/dbraw/zinc/79/59/93/1078795993.db2.gz DNEKRRQLHXHFTP-GOSISDBHSA-N 1 2 416.503 0.384 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000670838967 1078795892 /nfs/dbraw/zinc/79/58/92/1078795892.db2.gz DNEKRRQLHXHFTP-SFHVURJKSA-N 1 2 416.503 0.384 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000670838967 1078795879 /nfs/dbraw/zinc/79/58/79/1078795879.db2.gz DNEKRRQLHXHFTP-SFHVURJKSA-N 1 2 416.503 0.384 20 0 HCADLO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670839095 1078793995 /nfs/dbraw/zinc/79/39/95/1078793995.db2.gz NUNXYJCCYYBOSN-HNNXBMFYSA-N 1 2 405.480 0.141 20 0 HCADLO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670839096 1078793955 /nfs/dbraw/zinc/79/39/55/1078793955.db2.gz NUNXYJCCYYBOSN-OAHLLOKOSA-N 1 2 405.480 0.141 20 0 HCADLO COc1ccc(OC)c(CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000670843550 1078802156 /nfs/dbraw/zinc/80/21/56/1078802156.db2.gz HZBCIARPJBSNFT-SFHVURJKSA-N 1 2 405.495 0.686 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000670845957 1078806218 /nfs/dbraw/zinc/80/62/18/1078806218.db2.gz DODGUDSRFPZJMG-INIZCTEOSA-N 1 2 409.508 0.030 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000670845958 1078806239 /nfs/dbraw/zinc/80/62/39/1078806239.db2.gz DODGUDSRFPZJMG-MRXNPFEDSA-N 1 2 409.508 0.030 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000670846149 1078805917 /nfs/dbraw/zinc/80/59/17/1078805917.db2.gz HQBIMIVMNKBNMO-HNNXBMFYSA-N 1 2 402.476 0.496 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000670846150 1078805925 /nfs/dbraw/zinc/80/59/25/1078805925.db2.gz HQBIMIVMNKBNMO-OAHLLOKOSA-N 1 2 402.476 0.496 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000670846224 1078802556 /nfs/dbraw/zinc/80/25/56/1078802556.db2.gz GHQVZBPCMKKZCF-UHFFFAOYSA-N 1 2 401.488 0.838 20 0 HCADLO O=C(NCCNc1nccc(C(F)(F)F)n1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000670858517 1078812819 /nfs/dbraw/zinc/81/28/19/1078812819.db2.gz VRQMZCOUHIONMR-GFCCVEGCSA-N 1 2 423.399 0.814 20 0 HCADLO O=C(NCCNc1nccc(C(F)(F)F)n1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000670858518 1078812845 /nfs/dbraw/zinc/81/28/45/1078812845.db2.gz VRQMZCOUHIONMR-LBPRGKRZSA-N 1 2 423.399 0.814 20 0 HCADLO CCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000670874207 1078825284 /nfs/dbraw/zinc/82/52/84/1078825284.db2.gz YFTZDJPYSKCUKM-GOSISDBHSA-N 1 2 402.495 0.975 20 0 HCADLO CCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000670874208 1078825413 /nfs/dbraw/zinc/82/54/13/1078825413.db2.gz YFTZDJPYSKCUKM-SFHVURJKSA-N 1 2 402.495 0.975 20 0 HCADLO COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000670876280 1078825003 /nfs/dbraw/zinc/82/50/03/1078825003.db2.gz BFVCMKSTSAIGMV-GOSISDBHSA-N 1 2 418.494 0.211 20 0 HCADLO COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000670876281 1078824950 /nfs/dbraw/zinc/82/49/50/1078824950.db2.gz BFVCMKSTSAIGMV-SFHVURJKSA-N 1 2 418.494 0.211 20 0 HCADLO COCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000670876626 1078824964 /nfs/dbraw/zinc/82/49/64/1078824964.db2.gz SYCPPZYIIDMDQV-KRWDZBQOSA-N 1 2 411.462 0.678 20 0 HCADLO COCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000670876627 1078825022 /nfs/dbraw/zinc/82/50/22/1078825022.db2.gz SYCPPZYIIDMDQV-QGZVFWFLSA-N 1 2 411.462 0.678 20 0 HCADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000670877237 1078826072 /nfs/dbraw/zinc/82/60/72/1078826072.db2.gz CKKZPQJYVKWRML-INIZCTEOSA-N 1 2 423.539 0.097 20 0 HCADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000670877238 1078826090 /nfs/dbraw/zinc/82/60/90/1078826090.db2.gz CKKZPQJYVKWRML-MRXNPFEDSA-N 1 2 423.539 0.097 20 0 HCADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000670877302 1078827816 /nfs/dbraw/zinc/82/78/16/1078827816.db2.gz FZZCXHULBMWGQC-INIZCTEOSA-N 1 2 411.528 0.367 20 0 HCADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000670877358 1078825723 /nfs/dbraw/zinc/82/57/23/1078825723.db2.gz ZJWMCLNWSDWGJG-GOSISDBHSA-N 1 2 422.551 0.610 20 0 HCADLO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000670877358 1078825722 /nfs/dbraw/zinc/82/57/22/1078825722.db2.gz ZJWMCLNWSDWGJG-GOSISDBHSA-N 1 2 422.551 0.610 20 0 HCADLO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000670884607 1078833586 /nfs/dbraw/zinc/83/35/86/1078833586.db2.gz ODXXDALZCMMFNC-UHFFFAOYSA-N 1 2 424.501 0.902 20 0 HCADLO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000670884735 1078834313 /nfs/dbraw/zinc/83/43/13/1078834313.db2.gz WZKCXABBKXSIMY-KRWDZBQOSA-N 1 2 413.478 0.830 20 0 HCADLO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000670884736 1078834276 /nfs/dbraw/zinc/83/42/76/1078834276.db2.gz WZKCXABBKXSIMY-QGZVFWFLSA-N 1 2 413.478 0.830 20 0 HCADLO CCNC(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000670889443 1078837440 /nfs/dbraw/zinc/83/74/40/1078837440.db2.gz AGDYBMKJTKMKLV-GOSISDBHSA-N 1 2 402.495 0.376 20 0 HCADLO CCNC(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000670889444 1078837420 /nfs/dbraw/zinc/83/74/20/1078837420.db2.gz AGDYBMKJTKMKLV-SFHVURJKSA-N 1 2 402.495 0.376 20 0 HCADLO CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000670889864 1078840798 /nfs/dbraw/zinc/84/07/98/1078840798.db2.gz PBXAKPOKKIMJDI-UHFFFAOYSA-N 1 2 410.478 0.500 20 0 HCADLO O=C(NCc1ccc(N2CCCC2)nc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670890627 1078839526 /nfs/dbraw/zinc/83/95/26/1078839526.db2.gz KQVBQOYPOCMQFY-GOSISDBHSA-N 1 2 401.511 0.621 20 0 HCADLO O=C(NCc1ccc(N2CCCC2)nc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670890628 1078839632 /nfs/dbraw/zinc/83/96/32/1078839632.db2.gz KQVBQOYPOCMQFY-SFHVURJKSA-N 1 2 401.511 0.621 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000670891144 1078840015 /nfs/dbraw/zinc/84/00/15/1078840015.db2.gz AVSJVEQWPFZPDW-UHFFFAOYSA-N 1 2 412.494 0.426 20 0 HCADLO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000670891351 1078841334 /nfs/dbraw/zinc/84/13/34/1078841334.db2.gz OZJTWNMBEKXCRQ-KRWDZBQOSA-N 1 2 410.478 0.325 20 0 HCADLO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000670891352 1078841364 /nfs/dbraw/zinc/84/13/64/1078841364.db2.gz OZJTWNMBEKXCRQ-QGZVFWFLSA-N 1 2 410.478 0.325 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)C1 ZINC000670891438 1078839933 /nfs/dbraw/zinc/83/99/33/1078839933.db2.gz NEVAVGVHOKDLIR-IBGZPJMESA-N 1 2 409.490 0.837 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)C1 ZINC000670891438 1078839926 /nfs/dbraw/zinc/83/99/26/1078839926.db2.gz NEVAVGVHOKDLIR-IBGZPJMESA-N 1 2 409.490 0.837 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)C1 ZINC000670891439 1078840041 /nfs/dbraw/zinc/84/00/41/1078840041.db2.gz NEVAVGVHOKDLIR-LJQANCHMSA-N 1 2 409.490 0.837 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)C1 ZINC000670891439 1078840040 /nfs/dbraw/zinc/84/00/40/1078840040.db2.gz NEVAVGVHOKDLIR-LJQANCHMSA-N 1 2 409.490 0.837 20 0 HCADLO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000670891454 1078840739 /nfs/dbraw/zinc/84/07/39/1078840739.db2.gz RDYLXGAHUISNEG-UHFFFAOYSA-N 1 2 423.517 0.879 20 0 HCADLO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000670891646 1078840792 /nfs/dbraw/zinc/84/07/92/1078840792.db2.gz VISTXPITGDOGFH-GOSISDBHSA-N 1 2 403.527 0.867 20 0 HCADLO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000670891647 1078840758 /nfs/dbraw/zinc/84/07/58/1078840758.db2.gz VISTXPITGDOGFH-SFHVURJKSA-N 1 2 403.527 0.867 20 0 HCADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cn2)CCO1 ZINC000670893860 1078844000 /nfs/dbraw/zinc/84/40/00/1078844000.db2.gz TXYKQYWIJRWOEM-AEFFLSMTSA-N 1 2 424.505 0.713 20 0 HCADLO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cn2)CCO1 ZINC000670893861 1078844081 /nfs/dbraw/zinc/84/40/81/1078844081.db2.gz TXYKQYWIJRWOEM-FUHWJXTLSA-N 1 2 424.505 0.713 20 0 HCADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cn2)CCO1 ZINC000670893862 1078844105 /nfs/dbraw/zinc/84/41/05/1078844105.db2.gz TXYKQYWIJRWOEM-SJLPKXTDSA-N 1 2 424.505 0.713 20 0 HCADLO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cn2)CCO1 ZINC000670893863 1078844026 /nfs/dbraw/zinc/84/40/26/1078844026.db2.gz TXYKQYWIJRWOEM-WMZOPIPTSA-N 1 2 424.505 0.713 20 0 HCADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cn2)CCO1 ZINC000670893933 1078844115 /nfs/dbraw/zinc/84/41/15/1078844115.db2.gz DYROWFZSXMPWIM-AEFFLSMTSA-N 1 2 412.494 0.983 20 0 HCADLO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cn2)CCO1 ZINC000670893934 1078844089 /nfs/dbraw/zinc/84/40/89/1078844089.db2.gz DYROWFZSXMPWIM-FUHWJXTLSA-N 1 2 412.494 0.983 20 0 HCADLO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cn2)CCO1 ZINC000670893935 1078844061 /nfs/dbraw/zinc/84/40/61/1078844061.db2.gz DYROWFZSXMPWIM-SJLPKXTDSA-N 1 2 412.494 0.983 20 0 HCADLO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cn2)CCO1 ZINC000670893936 1078844781 /nfs/dbraw/zinc/84/47/81/1078844781.db2.gz DYROWFZSXMPWIM-WMZOPIPTSA-N 1 2 412.494 0.983 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 ZINC000670894422 1078844345 /nfs/dbraw/zinc/84/43/45/1078844345.db2.gz PBOLOOVRLMUGCC-UHFFFAOYSA-N 1 2 403.527 0.869 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000670900180 1078847404 /nfs/dbraw/zinc/84/74/04/1078847404.db2.gz FMVZERPSYCYGCS-KRWDZBQOSA-N 1 2 420.510 0.171 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000670900181 1078847210 /nfs/dbraw/zinc/84/72/10/1078847210.db2.gz FMVZERPSYCYGCS-QGZVFWFLSA-N 1 2 420.510 0.171 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000670904088 1078850190 /nfs/dbraw/zinc/85/01/90/1078850190.db2.gz HGWBTMWCXTUGIU-IBGZPJMESA-N 1 2 409.490 0.837 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000670904088 1078850186 /nfs/dbraw/zinc/85/01/86/1078850186.db2.gz HGWBTMWCXTUGIU-IBGZPJMESA-N 1 2 409.490 0.837 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000670904089 1078850241 /nfs/dbraw/zinc/85/02/41/1078850241.db2.gz HGWBTMWCXTUGIU-LJQANCHMSA-N 1 2 409.490 0.837 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000670904089 1078850237 /nfs/dbraw/zinc/85/02/37/1078850237.db2.gz HGWBTMWCXTUGIU-LJQANCHMSA-N 1 2 409.490 0.837 20 0 HCADLO O=C(NCc1cccnc1N1CCOCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000670904156 1078849785 /nfs/dbraw/zinc/84/97/85/1078849785.db2.gz YCMWUTVJFRKQQC-KRWDZBQOSA-N 1 2 410.478 0.325 20 0 HCADLO O=C(NCc1cccnc1N1CCOCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000670904157 1078849861 /nfs/dbraw/zinc/84/98/61/1078849861.db2.gz YCMWUTVJFRKQQC-QGZVFWFLSA-N 1 2 410.478 0.325 20 0 HCADLO Cc1nccnc1N1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000670907500 1078851673 /nfs/dbraw/zinc/85/16/73/1078851673.db2.gz NTLMWXFZPNZFPP-UHFFFAOYSA-N 1 2 419.489 0.995 20 0 HCADLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000670907716 1078851607 /nfs/dbraw/zinc/85/16/07/1078851607.db2.gz LYZQFBMNADADGZ-GOSISDBHSA-N 1 2 410.478 0.610 20 0 HCADLO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000670907717 1078851663 /nfs/dbraw/zinc/85/16/63/1078851663.db2.gz LYZQFBMNADADGZ-SFHVURJKSA-N 1 2 410.478 0.610 20 0 HCADLO COc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC)c1OC ZINC000670909016 1078852317 /nfs/dbraw/zinc/85/23/17/1078852317.db2.gz YEOQRWMWYBRSIB-INIZCTEOSA-N 1 2 421.494 0.652 20 0 HCADLO COc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(OC)c1OC ZINC000670909017 1078852449 /nfs/dbraw/zinc/85/24/49/1078852449.db2.gz YEOQRWMWYBRSIB-MRXNPFEDSA-N 1 2 421.494 0.652 20 0 HCADLO O=C(NCCNC(=O)c1cccnc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000670978128 1078882340 /nfs/dbraw/zinc/88/23/40/1078882340.db2.gz AEBSVPBVWKHZSL-UHFFFAOYSA-N 1 2 410.409 0.569 20 0 HCADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000670978151 1078882458 /nfs/dbraw/zinc/88/24/58/1078882458.db2.gz IBCFIMBRLNYJGP-KRWDZBQOSA-N 1 2 409.490 0.661 20 0 HCADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000670978151 1078882454 /nfs/dbraw/zinc/88/24/54/1078882454.db2.gz IBCFIMBRLNYJGP-KRWDZBQOSA-N 1 2 409.490 0.661 20 0 HCADLO CC(C)(CNC(=O)C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)N1CCOCC1 ZINC000670987136 1078888081 /nfs/dbraw/zinc/88/80/81/1078888081.db2.gz NHDYTSWXTJQOGZ-JOCHJYFZSA-N 1 2 405.539 0.867 20 0 HCADLO CC(C)(CNC(=O)C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)N1CCOCC1 ZINC000670987136 1078888076 /nfs/dbraw/zinc/88/80/76/1078888076.db2.gz NHDYTSWXTJQOGZ-JOCHJYFZSA-N 1 2 405.539 0.867 20 0 HCADLO CC(C)(CNC(=O)C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1)N1CCOCC1 ZINC000670987137 1078888192 /nfs/dbraw/zinc/88/81/92/1078888192.db2.gz NHDYTSWXTJQOGZ-QFIPXVFZSA-N 1 2 405.539 0.867 20 0 HCADLO CC(C)(CNC(=O)C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1)N1CCOCC1 ZINC000670987137 1078888189 /nfs/dbraw/zinc/88/81/89/1078888189.db2.gz NHDYTSWXTJQOGZ-QFIPXVFZSA-N 1 2 405.539 0.867 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000670987428 1078887586 /nfs/dbraw/zinc/88/75/86/1078887586.db2.gz UFYFOIRZPYJWOR-FQEVSTJZSA-N 1 2 419.503 0.926 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000670987428 1078887581 /nfs/dbraw/zinc/88/75/81/1078887581.db2.gz UFYFOIRZPYJWOR-FQEVSTJZSA-N 1 2 419.503 0.926 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000670987429 1078887695 /nfs/dbraw/zinc/88/76/95/1078887695.db2.gz UFYFOIRZPYJWOR-HXUWFJFHSA-N 1 2 419.503 0.926 20 0 HCADLO NS(=O)(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000670987429 1078887693 /nfs/dbraw/zinc/88/76/93/1078887693.db2.gz UFYFOIRZPYJWOR-HXUWFJFHSA-N 1 2 419.503 0.926 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cc1 ZINC000670988132 1078888145 /nfs/dbraw/zinc/88/81/45/1078888145.db2.gz WSRSGNHOCOQDJI-FQEVSTJZSA-N 1 2 419.503 0.926 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cc1 ZINC000670988132 1078888142 /nfs/dbraw/zinc/88/81/42/1078888142.db2.gz WSRSGNHOCOQDJI-FQEVSTJZSA-N 1 2 419.503 0.926 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cc1 ZINC000670988133 1078888021 /nfs/dbraw/zinc/88/80/21/1078888021.db2.gz WSRSGNHOCOQDJI-HXUWFJFHSA-N 1 2 419.503 0.926 20 0 HCADLO NS(=O)(=O)c1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cc1 ZINC000670988133 1078888016 /nfs/dbraw/zinc/88/80/16/1078888016.db2.gz WSRSGNHOCOQDJI-HXUWFJFHSA-N 1 2 419.503 0.926 20 0 HCADLO O=C(NCCCN1CCc2ccccc21)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670988907 1078888559 /nfs/dbraw/zinc/88/85/59/1078888559.db2.gz HITFNXKCRUYNHE-IBGZPJMESA-N 1 2 400.523 0.879 20 0 HCADLO O=C(NCCCN1CCc2ccccc21)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670988908 1078888671 /nfs/dbraw/zinc/88/86/71/1078888671.db2.gz HITFNXKCRUYNHE-LJQANCHMSA-N 1 2 400.523 0.879 20 0 HCADLO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670999941 1078900490 /nfs/dbraw/zinc/90/04/90/1078900490.db2.gz ABVFBBCZHYXJGR-GOSISDBHSA-N 1 2 402.495 0.084 20 0 HCADLO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670999942 1078900450 /nfs/dbraw/zinc/90/04/50/1078900450.db2.gz ABVFBBCZHYXJGR-SFHVURJKSA-N 1 2 402.495 0.084 20 0 HCADLO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000671006663 1078915280 /nfs/dbraw/zinc/91/52/80/1078915280.db2.gz VLYLGJGHOABEQX-IBGZPJMESA-N 1 2 416.522 0.766 20 0 HCADLO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000671006664 1078915264 /nfs/dbraw/zinc/91/52/64/1078915264.db2.gz VLYLGJGHOABEQX-LJQANCHMSA-N 1 2 416.522 0.766 20 0 HCADLO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000671015750 1078926601 /nfs/dbraw/zinc/92/66/01/1078926601.db2.gz VKEBZARXHUTGGW-GOSISDBHSA-N 1 2 402.495 0.328 20 0 HCADLO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000671015751 1078926480 /nfs/dbraw/zinc/92/64/80/1078926480.db2.gz VKEBZARXHUTGGW-SFHVURJKSA-N 1 2 402.495 0.328 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000671019954 1078937445 /nfs/dbraw/zinc/93/74/45/1078937445.db2.gz PZVCQZRQMFMQSW-HNNXBMFYSA-N 1 2 405.480 0.271 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000671019955 1078937331 /nfs/dbraw/zinc/93/73/31/1078937331.db2.gz PZVCQZRQMFMQSW-OAHLLOKOSA-N 1 2 405.480 0.271 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000671020028 1078938079 /nfs/dbraw/zinc/93/80/79/1078938079.db2.gz NIHKWUPJTHRMRR-UHFFFAOYSA-N 1 2 416.503 0.343 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000671020063 1078938016 /nfs/dbraw/zinc/93/80/16/1078938016.db2.gz WQJRFRJXDBKLON-HNNXBMFYSA-N 1 2 417.491 0.001 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000671020070 1078938526 /nfs/dbraw/zinc/93/85/26/1078938526.db2.gz ZMPPBXWAWSQXIX-GOSISDBHSA-N 1 2 416.503 0.514 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000671020070 1078938515 /nfs/dbraw/zinc/93/85/15/1078938515.db2.gz ZMPPBXWAWSQXIX-GOSISDBHSA-N 1 2 416.503 0.514 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000671020071 1078938373 /nfs/dbraw/zinc/93/83/73/1078938373.db2.gz ZMPPBXWAWSQXIX-SFHVURJKSA-N 1 2 416.503 0.514 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000671020071 1078938364 /nfs/dbraw/zinc/93/83/64/1078938364.db2.gz ZMPPBXWAWSQXIX-SFHVURJKSA-N 1 2 416.503 0.514 20 0 HCADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000671020155 1078939666 /nfs/dbraw/zinc/93/96/66/1078939666.db2.gz LLMYREFVQXKVAJ-MRXNPFEDSA-N 1 2 418.475 0.286 20 0 HCADLO COc1cccc(CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1OC ZINC000671037098 1078973630 /nfs/dbraw/zinc/97/36/30/1078973630.db2.gz FEKCXHSZDVYETH-KRWDZBQOSA-N 1 2 405.495 0.686 20 0 HCADLO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671039326 1078976800 /nfs/dbraw/zinc/97/68/00/1078976800.db2.gz UHNOQHICXXTFDR-PMACEKPBSA-N 1 2 423.517 0.966 20 0 HCADLO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671039327 1078976941 /nfs/dbraw/zinc/97/69/41/1078976941.db2.gz UHNOQHICXXTFDR-UXHICEINSA-N 1 2 423.517 0.966 20 0 HCADLO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671039328 1078976702 /nfs/dbraw/zinc/97/67/02/1078976702.db2.gz UHNOQHICXXTFDR-VQTJNVASSA-N 1 2 423.517 0.966 20 0 HCADLO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671039329 1078976877 /nfs/dbraw/zinc/97/68/77/1078976877.db2.gz UHNOQHICXXTFDR-WOJBJXKFSA-N 1 2 423.517 0.966 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000671039808 1078975656 /nfs/dbraw/zinc/97/56/56/1078975656.db2.gz MVKOLWZLIRPJAA-KRWDZBQOSA-N 1 2 406.483 0.046 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000671039809 1078975546 /nfs/dbraw/zinc/97/55/46/1078975546.db2.gz MVKOLWZLIRPJAA-QGZVFWFLSA-N 1 2 406.483 0.046 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000671040283 1078978188 /nfs/dbraw/zinc/97/81/88/1078978188.db2.gz CGYJRJHIAHZNSW-QGZVFWFLSA-N 1 2 400.435 0.798 20 0 HCADLO COCCOc1ncccc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671040323 1078977893 /nfs/dbraw/zinc/97/78/93/1078977893.db2.gz LAAKYNQNVUWSGR-KRWDZBQOSA-N 1 2 406.483 0.046 20 0 HCADLO COCCOc1ncccc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671040324 1078978084 /nfs/dbraw/zinc/97/80/84/1078978084.db2.gz LAAKYNQNVUWSGR-QGZVFWFLSA-N 1 2 406.483 0.046 20 0 HCADLO COCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000671046535 1078986609 /nfs/dbraw/zinc/98/66/09/1078986609.db2.gz NYTOPZTVELJGDS-GDBMZVCRSA-N 1 2 409.483 0.344 20 0 HCADLO COCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000671046535 1078986591 /nfs/dbraw/zinc/98/65/91/1078986591.db2.gz NYTOPZTVELJGDS-GDBMZVCRSA-N 1 2 409.483 0.344 20 0 HCADLO COCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000671046545 1078986711 /nfs/dbraw/zinc/98/67/11/1078986711.db2.gz NYTOPZTVELJGDS-GOEBONIOSA-N 1 2 409.483 0.344 20 0 HCADLO COCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000671046545 1078986698 /nfs/dbraw/zinc/98/66/98/1078986698.db2.gz NYTOPZTVELJGDS-GOEBONIOSA-N 1 2 409.483 0.344 20 0 HCADLO COCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000671046548 1078986643 /nfs/dbraw/zinc/98/66/43/1078986643.db2.gz NYTOPZTVELJGDS-HOCLYGCPSA-N 1 2 409.483 0.344 20 0 HCADLO COCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000671046548 1078986631 /nfs/dbraw/zinc/98/66/31/1078986631.db2.gz NYTOPZTVELJGDS-HOCLYGCPSA-N 1 2 409.483 0.344 20 0 HCADLO COCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000671046549 1078986878 /nfs/dbraw/zinc/98/68/78/1078986878.db2.gz NYTOPZTVELJGDS-ZBFHGGJFSA-N 1 2 409.483 0.344 20 0 HCADLO COCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000671046549 1078986869 /nfs/dbraw/zinc/98/68/69/1078986869.db2.gz NYTOPZTVELJGDS-ZBFHGGJFSA-N 1 2 409.483 0.344 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000671050104 1078995573 /nfs/dbraw/zinc/99/55/73/1078995573.db2.gz ARIGREDVYCWXPH-IBGZPJMESA-N 1 2 405.495 0.651 20 0 HCADLO COCCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000671050105 1078995652 /nfs/dbraw/zinc/99/56/52/1078995652.db2.gz ARIGREDVYCWXPH-LJQANCHMSA-N 1 2 405.495 0.651 20 0 HCADLO COCCOc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000671050947 1078989998 /nfs/dbraw/zinc/98/99/98/1078989998.db2.gz SFEJSLQRLQCGJF-IBGZPJMESA-N 1 2 405.495 0.651 20 0 HCADLO COCCOc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000671050948 1078990501 /nfs/dbraw/zinc/99/05/01/1078990501.db2.gz SFEJSLQRLQCGJF-LJQANCHMSA-N 1 2 405.495 0.651 20 0 HCADLO CCC(CC)C(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000671055293 1078999446 /nfs/dbraw/zinc/99/94/46/1078999446.db2.gz YFVWRQSKZKRYGH-IBGZPJMESA-N 1 2 422.570 0.853 20 0 HCADLO CCC(CC)C(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000671055296 1078999595 /nfs/dbraw/zinc/99/95/95/1078999595.db2.gz YFVWRQSKZKRYGH-LJQANCHMSA-N 1 2 422.570 0.853 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000671058141 1079003440 /nfs/dbraw/zinc/00/34/40/1079003440.db2.gz CAFCMPABDUCOBL-PMACEKPBSA-N 1 2 416.522 0.331 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000671058145 1079003397 /nfs/dbraw/zinc/00/33/97/1079003397.db2.gz CAFCMPABDUCOBL-UXHICEINSA-N 1 2 416.522 0.331 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000671058147 1079003313 /nfs/dbraw/zinc/00/33/13/1079003313.db2.gz CAFCMPABDUCOBL-VQTJNVASSA-N 1 2 416.522 0.331 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000671058149 1079003284 /nfs/dbraw/zinc/00/32/84/1079003284.db2.gz CAFCMPABDUCOBL-WOJBJXKFSA-N 1 2 416.522 0.331 20 0 HCADLO CN(C)c1nc(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000671058506 1079001407 /nfs/dbraw/zinc/00/14/07/1079001407.db2.gz AJZVPFXLTUYNPF-UHFFFAOYSA-N 1 2 416.551 0.764 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058513 1079001216 /nfs/dbraw/zinc/00/12/16/1079001216.db2.gz WFSFIVINUFOGFR-GOSISDBHSA-N 1 2 404.511 0.094 20 0 HCADLO O=C(NCCOC[C@H]1CCOC1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058514 1079001166 /nfs/dbraw/zinc/00/11/66/1079001166.db2.gz WFSFIVINUFOGFR-SFHVURJKSA-N 1 2 404.511 0.094 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000671058541 1079001261 /nfs/dbraw/zinc/00/12/61/1079001261.db2.gz BTKXARZZIMQFGC-UHFFFAOYSA-N 1 2 424.545 0.988 20 0 HCADLO COC1(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000671058546 1079001312 /nfs/dbraw/zinc/00/13/12/1079001312.db2.gz CMSLWZNOBIIHKS-UHFFFAOYSA-N 1 2 404.511 0.237 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCC(OCCCO)CC1 ZINC000671058635 1079001246 /nfs/dbraw/zinc/00/12/46/1079001246.db2.gz KOZQCZNUSIASSS-UHFFFAOYSA-N 1 2 418.538 0.315 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCC2(C1)CCOCC2 ZINC000671058643 1079001480 /nfs/dbraw/zinc/00/14/80/1079001480.db2.gz LJAPCKVBHIGDNU-UHFFFAOYSA-N 1 2 400.523 0.954 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000671058676 1079001437 /nfs/dbraw/zinc/00/14/37/1079001437.db2.gz ROVMTDCFOZYVCD-IBGZPJMESA-N 1 2 422.533 0.715 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000671058677 1079001280 /nfs/dbraw/zinc/00/12/80/1079001280.db2.gz ROVMTDCFOZYVCD-LJQANCHMSA-N 1 2 422.533 0.715 20 0 HCADLO CC(C)(C)n1ncnc1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058710 1079001179 /nfs/dbraw/zinc/00/11/79/1079001179.db2.gz ZUEXNMGRCMWVJO-UHFFFAOYSA-N 1 2 413.526 0.588 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671058780 1079000931 /nfs/dbraw/zinc/00/09/31/1079000931.db2.gz PHQNIBPHBNXNKU-UHFFFAOYSA-N 1 2 423.508 0.771 20 0 HCADLO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671058832 1079000679 /nfs/dbraw/zinc/00/06/79/1079000679.db2.gz GFLVQPYVSAUZCP-FQEVSTJZSA-N 1 2 410.522 0.985 20 0 HCADLO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671058833 1079000956 /nfs/dbraw/zinc/00/09/56/1079000956.db2.gz GFLVQPYVSAUZCP-HXUWFJFHSA-N 1 2 410.522 0.985 20 0 HCADLO C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058848 1079000636 /nfs/dbraw/zinc/00/06/36/1079000636.db2.gz ICQWGVBHCQTUND-HKUYNNGSSA-N 1 2 404.511 0.235 20 0 HCADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058849 1079001147 /nfs/dbraw/zinc/00/11/47/1079001147.db2.gz ICQWGVBHCQTUND-IEBWSBKVSA-N 1 2 404.511 0.235 20 0 HCADLO C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058850 1079001189 /nfs/dbraw/zinc/00/11/89/1079001189.db2.gz ICQWGVBHCQTUND-MJGOQNOKSA-N 1 2 404.511 0.235 20 0 HCADLO C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058851 1079001380 /nfs/dbraw/zinc/00/13/80/1079001380.db2.gz ICQWGVBHCQTUND-PKOBYXMFSA-N 1 2 404.511 0.235 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCc2c[nH]nc2C1 ZINC000671058959 1079000835 /nfs/dbraw/zinc/00/08/35/1079000835.db2.gz QXWQQJUFYNWHNY-UHFFFAOYSA-N 1 2 400.458 0.372 20 0 HCADLO O=C(NCCOC[C@H]1CCOC1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671058967 1079000498 /nfs/dbraw/zinc/00/04/98/1079000498.db2.gz UOLOHIAGLPQZFE-KRWDZBQOSA-N 1 2 422.501 0.233 20 0 HCADLO O=C(NCCOC[C@@H]1CCOC1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671058968 1079001002 /nfs/dbraw/zinc/00/10/02/1079001002.db2.gz UOLOHIAGLPQZFE-QGZVFWFLSA-N 1 2 422.501 0.233 20 0 HCADLO CC(C)(C)C(=O)NCCNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671058986 1079000980 /nfs/dbraw/zinc/00/09/80/1079000980.db2.gz ZRRHIKLBGKKVTI-UHFFFAOYSA-N 1 2 421.517 0.342 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000671058987 1079000656 /nfs/dbraw/zinc/00/06/56/1079000656.db2.gz DUPIVKDTAFGUDW-UHFFFAOYSA-N 1 2 422.501 0.064 20 0 HCADLO CC(C)(C)CN(CCO)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059008 1079003348 /nfs/dbraw/zinc/00/33/48/1079003348.db2.gz KQVFZDFSKLYSNQ-UHFFFAOYSA-N 1 2 408.518 0.931 20 0 HCADLO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059012 1079003271 /nfs/dbraw/zinc/00/32/71/1079003271.db2.gz MGKUSQYGKPBJQN-DLBZAZTESA-N 1 2 406.502 0.995 20 0 HCADLO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059013 1079003363 /nfs/dbraw/zinc/00/33/63/1079003363.db2.gz MGKUSQYGKPBJQN-IAGOWNOFSA-N 1 2 406.502 0.995 20 0 HCADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059014 1079003761 /nfs/dbraw/zinc/00/37/61/1079003761.db2.gz MGKUSQYGKPBJQN-IRXDYDNUSA-N 1 2 406.502 0.995 20 0 HCADLO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059015 1079003984 /nfs/dbraw/zinc/00/39/84/1079003984.db2.gz MGKUSQYGKPBJQN-SJORKVTESA-N 1 2 406.502 0.995 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000671059060 1079003934 /nfs/dbraw/zinc/00/39/34/1079003934.db2.gz HROMSSJXRHHLSZ-NRFANRHFSA-N 1 2 404.486 0.703 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000671059065 1079003046 /nfs/dbraw/zinc/00/30/46/1079003046.db2.gz HROMSSJXRHHLSZ-OAQYLSRUSA-N 1 2 404.486 0.703 20 0 HCADLO CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059070 1079002932 /nfs/dbraw/zinc/00/29/32/1079002932.db2.gz IDTXFIISQIWWJK-KRWDZBQOSA-N 1 2 406.502 0.949 20 0 HCADLO CCN(C[C@H]1CCOC1)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059071 1079002996 /nfs/dbraw/zinc/00/29/96/1079002996.db2.gz IDTXFIISQIWWJK-QGZVFWFLSA-N 1 2 406.502 0.949 20 0 HCADLO CCNC(=O)C(C)(C)CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059078 1079002949 /nfs/dbraw/zinc/00/29/49/1079002949.db2.gz JQKGXKLGMDLCJD-UHFFFAOYSA-N 1 2 421.517 0.342 20 0 HCADLO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059118 1079003031 /nfs/dbraw/zinc/00/30/31/1079003031.db2.gz MXRWARISPCNZDF-HNNXBMFYSA-N 1 2 420.407 0.446 20 0 HCADLO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000671059119 1079002904 /nfs/dbraw/zinc/00/29/04/1079002904.db2.gz MXRWARISPCNZDF-OAHLLOKOSA-N 1 2 420.407 0.446 20 0 HCADLO Cc1cn2c(n1)CN(C(=O)C(=O)NCC[NH+]1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000671059122 1079002848 /nfs/dbraw/zinc/00/28/48/1079002848.db2.gz MUVQRZHAWXVQCT-UHFFFAOYSA-N 1 2 414.485 0.611 20 0 HCADLO COC1(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCOCC1 ZINC000671059207 1079003425 /nfs/dbraw/zinc/00/34/25/1079003425.db2.gz LFQOIUNDMUNDQG-UHFFFAOYSA-N 1 2 422.501 0.376 20 0 HCADLO Cc1cc(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)ncn1 ZINC000671059229 1079003009 /nfs/dbraw/zinc/00/30/09/1079003009.db2.gz RSIWDHCDFIXMLA-UHFFFAOYSA-N 1 2 400.458 0.479 20 0 HCADLO COc1cccc(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000671059231 1079002913 /nfs/dbraw/zinc/00/29/13/1079002913.db2.gz SHKWCXFCIOKMGA-UHFFFAOYSA-N 1 2 415.469 0.784 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccc(F)cn1 ZINC000671059235 1079002820 /nfs/dbraw/zinc/00/28/20/1079002820.db2.gz VSRDWMPRRHAUGV-UHFFFAOYSA-N 1 2 403.433 0.914 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OCC(=O)NC ZINC000671062025 1079010305 /nfs/dbraw/zinc/01/03/05/1079010305.db2.gz JFLOABBOKMMOLZ-GDBMZVCRSA-N 1 2 413.478 0.706 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1OCC(=O)NC ZINC000671062026 1079010362 /nfs/dbraw/zinc/01/03/62/1079010362.db2.gz JFLOABBOKMMOLZ-GOEBONIOSA-N 1 2 413.478 0.706 20 0 HCADLO CC[C@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1OCC(=O)NC ZINC000671062027 1079010623 /nfs/dbraw/zinc/01/06/23/1079010623.db2.gz JFLOABBOKMMOLZ-HOCLYGCPSA-N 1 2 413.478 0.706 20 0 HCADLO CC[C@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OCC(=O)NC ZINC000671062028 1079010653 /nfs/dbraw/zinc/01/06/53/1079010653.db2.gz JFLOABBOKMMOLZ-ZBFHGGJFSA-N 1 2 413.478 0.706 20 0 HCADLO CC[C@H](NC(=O)C(=O)N1CC[NH+](CCOC)CC1)c1ccccc1OCC(=O)NC ZINC000671063550 1079011861 /nfs/dbraw/zinc/01/18/61/1079011861.db2.gz JTGKAWABKFEJNR-KRWDZBQOSA-N 1 2 420.510 0.169 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N1CC[NH+](CCOC)CC1)c1ccccc1OCC(=O)NC ZINC000671063551 1079011974 /nfs/dbraw/zinc/01/19/74/1079011974.db2.gz JTGKAWABKFEJNR-QGZVFWFLSA-N 1 2 420.510 0.169 20 0 HCADLO CC[C@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1OCC(=O)NC ZINC000671064623 1079012618 /nfs/dbraw/zinc/01/26/18/1079012618.db2.gz WXNBMQHYMVIFIE-KRWDZBQOSA-N 1 2 402.495 0.685 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1OCC(=O)NC ZINC000671064624 1079012575 /nfs/dbraw/zinc/01/25/75/1079012575.db2.gz WXNBMQHYMVIFIE-QGZVFWFLSA-N 1 2 402.495 0.685 20 0 HCADLO O=C(NCC1CCC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000671065496 1079014424 /nfs/dbraw/zinc/01/44/24/1079014424.db2.gz OVDQDBSSSIOLDE-INIZCTEOSA-N 1 2 402.499 0.315 20 0 HCADLO O=C(NCC1CCC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000671065496 1079014411 /nfs/dbraw/zinc/01/44/11/1079014411.db2.gz OVDQDBSSSIOLDE-INIZCTEOSA-N 1 2 402.499 0.315 20 0 HCADLO O=C(NCC1CCC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000671065497 1079014569 /nfs/dbraw/zinc/01/45/69/1079014569.db2.gz OVDQDBSSSIOLDE-MRXNPFEDSA-N 1 2 402.499 0.315 20 0 HCADLO O=C(NCC1CCC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000671065497 1079014559 /nfs/dbraw/zinc/01/45/59/1079014559.db2.gz OVDQDBSSSIOLDE-MRXNPFEDSA-N 1 2 402.499 0.315 20 0 HCADLO O=C(NCc1cccc(N2CCCC2=O)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671066722 1079014823 /nfs/dbraw/zinc/01/48/23/1079014823.db2.gz COFBQZDNOOKZMP-IBGZPJMESA-N 1 2 414.506 0.753 20 0 HCADLO O=C(NCc1cccc(N2CCCC2=O)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671066723 1079014969 /nfs/dbraw/zinc/01/49/69/1079014969.db2.gz COFBQZDNOOKZMP-LJQANCHMSA-N 1 2 414.506 0.753 20 0 HCADLO COc1ccc(O[C@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000671075684 1079024370 /nfs/dbraw/zinc/02/43/70/1079024370.db2.gz VGJMANMPUXRXQA-APWZRJJASA-N 1 2 405.495 0.902 20 0 HCADLO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000671075685 1079024255 /nfs/dbraw/zinc/02/42/55/1079024255.db2.gz VGJMANMPUXRXQA-LPHOPBHVSA-N 1 2 405.495 0.902 20 0 HCADLO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000671075686 1079024306 /nfs/dbraw/zinc/02/43/06/1079024306.db2.gz VGJMANMPUXRXQA-QFBILLFUSA-N 1 2 405.495 0.902 20 0 HCADLO COc1ccc(O[C@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000671075687 1079024473 /nfs/dbraw/zinc/02/44/73/1079024473.db2.gz VGJMANMPUXRXQA-VQIMIIECSA-N 1 2 405.495 0.902 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(=O)NC3CCC3)cc2)CC1 ZINC000671085241 1079031192 /nfs/dbraw/zinc/03/11/92/1079031192.db2.gz QWCPKCANQJPQBQ-UHFFFAOYSA-N 1 2 416.522 0.557 20 0 HCADLO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000671088118 1079034830 /nfs/dbraw/zinc/03/48/30/1079034830.db2.gz SLDBZOWTURXFIE-MOPGFXCFSA-N 1 2 416.478 0.484 20 0 HCADLO O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671088120 1079034843 /nfs/dbraw/zinc/03/48/43/1079034843.db2.gz HSWWPCIJNWDSMD-FQEVSTJZSA-N 1 2 411.506 0.871 20 0 HCADLO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000671088121 1079034938 /nfs/dbraw/zinc/03/49/38/1079034938.db2.gz SLDBZOWTURXFIE-OALUTQOASA-N 1 2 416.478 0.484 20 0 HCADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000671088122 1079034905 /nfs/dbraw/zinc/03/49/05/1079034905.db2.gz SLDBZOWTURXFIE-RBUKOAKNSA-N 1 2 416.478 0.484 20 0 HCADLO O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671088123 1079034772 /nfs/dbraw/zinc/03/47/72/1079034772.db2.gz HSWWPCIJNWDSMD-HXUWFJFHSA-N 1 2 411.506 0.871 20 0 HCADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000671088124 1079034783 /nfs/dbraw/zinc/03/47/83/1079034783.db2.gz SLDBZOWTURXFIE-RTBURBONSA-N 1 2 416.478 0.484 20 0 HCADLO Cc1csc(CCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000671110667 1079052763 /nfs/dbraw/zinc/05/27/63/1079052763.db2.gz FXOBVYMKPLQYAU-UHFFFAOYSA-N 1 2 414.495 0.136 20 0 HCADLO Cc1csc(CCNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000671114155 1079054485 /nfs/dbraw/zinc/05/44/85/1079054485.db2.gz JAFJVPZBICTQDB-HNNXBMFYSA-N 1 2 416.551 0.832 20 0 HCADLO O=C(NC1CCN(c2ccccn2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671116088 1079054862 /nfs/dbraw/zinc/05/48/62/1079054862.db2.gz AUVGZFBERJTGIE-GOSISDBHSA-N 1 2 401.511 0.490 20 0 HCADLO O=C(NC1CCN(c2ccccn2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671116089 1079055014 /nfs/dbraw/zinc/05/50/14/1079055014.db2.gz AUVGZFBERJTGIE-SFHVURJKSA-N 1 2 401.511 0.490 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCc2nc(C)cs2)CC1 ZINC000671116433 1079055917 /nfs/dbraw/zinc/05/59/17/1079055917.db2.gz ZXXAUILFSZQWKS-UHFFFAOYSA-N 1 2 409.556 0.513 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCc2nc(C)cs2)CC1 ZINC000671116433 1079055912 /nfs/dbraw/zinc/05/59/12/1079055912.db2.gz ZXXAUILFSZQWKS-UHFFFAOYSA-N 1 2 409.556 0.513 20 0 HCADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000671116524 1079055864 /nfs/dbraw/zinc/05/58/64/1079055864.db2.gz VCLCLPGHXVFJGP-GOSISDBHSA-N 1 2 401.511 0.490 20 0 HCADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000671116525 1079055746 /nfs/dbraw/zinc/05/57/46/1079055746.db2.gz VCLCLPGHXVFJGP-SFHVURJKSA-N 1 2 401.511 0.490 20 0 HCADLO CC(C)C(=O)N1CCCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000671116594 1079055779 /nfs/dbraw/zinc/05/57/79/1079055779.db2.gz MVUUEZCEFCWTBZ-UHFFFAOYSA-N 1 2 401.511 0.884 20 0 HCADLO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000671116714 1079055759 /nfs/dbraw/zinc/05/57/59/1079055759.db2.gz KIMLLMRNGGKITL-UHFFFAOYSA-N 1 2 409.494 0.614 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000671116981 1079055388 /nfs/dbraw/zinc/05/53/88/1079055388.db2.gz IEZLRFOEDHZWBX-UHFFFAOYSA-N 1 2 416.526 0.819 20 0 HCADLO COCCN(Cc1ccnn1C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000671117008 1079055816 /nfs/dbraw/zinc/05/58/16/1079055816.db2.gz POPLYDSPDMBRCQ-UHFFFAOYSA-N 1 2 400.483 0.575 20 0 HCADLO CC(C)CN1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1=O ZINC000671117043 1079055463 /nfs/dbraw/zinc/05/54/63/1079055463.db2.gz YMXIROJILMGUQL-INIZCTEOSA-N 1 2 401.511 0.882 20 0 HCADLO CC(C)CN1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1=O ZINC000671117044 1079055412 /nfs/dbraw/zinc/05/54/12/1079055412.db2.gz YMXIROJILMGUQL-MRXNPFEDSA-N 1 2 401.511 0.882 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1)S(C)(=O)=O ZINC000671117390 1079056638 /nfs/dbraw/zinc/05/66/38/1079056638.db2.gz DCZWEZLUZVGFPT-UHFFFAOYSA-N 1 2 419.507 0.712 20 0 HCADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NCCCNc2cccc[nH+]2)C1=O ZINC000671117557 1079055263 /nfs/dbraw/zinc/05/52/63/1079055263.db2.gz TZGODZNAWVMEBH-HNNXBMFYSA-N 1 2 413.482 0.041 20 0 HCADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)NCCCNc2cccc[nH+]2)C1=O ZINC000671117559 1079055332 /nfs/dbraw/zinc/05/53/32/1079055332.db2.gz TZGODZNAWVMEBH-OAHLLOKOSA-N 1 2 413.482 0.041 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000671117783 1079056253 /nfs/dbraw/zinc/05/62/53/1079056253.db2.gz LOIFODXOVLOMEC-HNNXBMFYSA-N 1 2 410.478 0.494 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000671117784 1079056296 /nfs/dbraw/zinc/05/62/96/1079056296.db2.gz LOIFODXOVLOMEC-OAHLLOKOSA-N 1 2 410.478 0.494 20 0 HCADLO CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)C1 ZINC000671119994 1079056269 /nfs/dbraw/zinc/05/62/69/1079056269.db2.gz XFCYETFAQDYLEV-GDBMZVCRSA-N 1 2 416.569 0.931 20 0 HCADLO CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)C1 ZINC000671119995 1079056192 /nfs/dbraw/zinc/05/61/92/1079056192.db2.gz XFCYETFAQDYLEV-GOEBONIOSA-N 1 2 416.569 0.931 20 0 HCADLO CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)C1 ZINC000671119996 1079056133 /nfs/dbraw/zinc/05/61/33/1079056133.db2.gz XFCYETFAQDYLEV-HOCLYGCPSA-N 1 2 416.569 0.931 20 0 HCADLO CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)C1 ZINC000671119997 1079056234 /nfs/dbraw/zinc/05/62/34/1079056234.db2.gz XFCYETFAQDYLEV-ZBFHGGJFSA-N 1 2 416.569 0.931 20 0 HCADLO O=C(NCCS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671120215 1079057366 /nfs/dbraw/zinc/05/73/66/1079057366.db2.gz ANUMSOYDFDTURF-HNNXBMFYSA-N 1 2 402.476 0.367 20 0 HCADLO O=C(NCCS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671120216 1079057392 /nfs/dbraw/zinc/05/73/92/1079057392.db2.gz ANUMSOYDFDTURF-OAHLLOKOSA-N 1 2 402.476 0.367 20 0 HCADLO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671121522 1079057908 /nfs/dbraw/zinc/05/79/08/1079057908.db2.gz YMROIUAOLYVUGH-CABCVRRESA-N 1 2 406.449 0.310 20 0 HCADLO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671121523 1079057781 /nfs/dbraw/zinc/05/77/81/1079057781.db2.gz YMROIUAOLYVUGH-GJZGRUSLSA-N 1 2 406.449 0.310 20 0 HCADLO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671121524 1079057816 /nfs/dbraw/zinc/05/78/16/1079057816.db2.gz YMROIUAOLYVUGH-HUUCEWRRSA-N 1 2 406.449 0.310 20 0 HCADLO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671121525 1079057900 /nfs/dbraw/zinc/05/79/00/1079057900.db2.gz YMROIUAOLYVUGH-LSDHHAIUSA-N 1 2 406.449 0.310 20 0 HCADLO O=C(NC[C@@H]1CCN(c2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671123495 1079058761 /nfs/dbraw/zinc/05/87/61/1079058761.db2.gz GNBWKIGUVILAKZ-AZUAARDMSA-N 1 2 400.523 0.952 20 0 HCADLO O=C(NC[C@@H]1CCN(c2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671123496 1079058674 /nfs/dbraw/zinc/05/86/74/1079058674.db2.gz GNBWKIGUVILAKZ-ICSRJNTNSA-N 1 2 400.523 0.952 20 0 HCADLO O=C(NC[C@H]1CCN(c2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671123497 1079058854 /nfs/dbraw/zinc/05/88/54/1079058854.db2.gz GNBWKIGUVILAKZ-QUCCMNQESA-N 1 2 400.523 0.952 20 0 HCADLO O=C(NC[C@H]1CCN(c2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671123498 1079058809 /nfs/dbraw/zinc/05/88/09/1079058809.db2.gz GNBWKIGUVILAKZ-UYAOXDASSA-N 1 2 400.523 0.952 20 0 HCADLO O=C(NCc1cnn(Cc2ccccc2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671124739 1079060143 /nfs/dbraw/zinc/06/01/43/1079060143.db2.gz ZXSRNCLUALOYFT-FQEVSTJZSA-N 1 2 411.506 0.871 20 0 HCADLO O=C(NCc1cnn(Cc2ccccc2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671124740 1079060160 /nfs/dbraw/zinc/06/01/60/1079060160.db2.gz ZXSRNCLUALOYFT-HXUWFJFHSA-N 1 2 411.506 0.871 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000671126182 1079061715 /nfs/dbraw/zinc/06/17/15/1079061715.db2.gz DIJCEQMTMQRRPG-GOSISDBHSA-N 1 2 403.527 0.591 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000671126183 1079061611 /nfs/dbraw/zinc/06/16/11/1079061611.db2.gz DIJCEQMTMQRRPG-SFHVURJKSA-N 1 2 403.527 0.591 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000671126445 1079061022 /nfs/dbraw/zinc/06/10/22/1079061022.db2.gz IFFVOIIVPKXBRL-UHFFFAOYSA-N 1 2 404.515 0.530 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000671126542 1079060632 /nfs/dbraw/zinc/06/06/32/1079060632.db2.gz BHQQCHIFAYEFHK-UHFFFAOYSA-N 1 2 419.423 0.923 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000671126565 1079061200 /nfs/dbraw/zinc/06/12/00/1079061200.db2.gz GGTKMMLZEJHUTC-INIZCTEOSA-N 1 2 424.505 0.372 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000671126567 1079061177 /nfs/dbraw/zinc/06/11/77/1079061177.db2.gz GGTKMMLZEJHUTC-MRXNPFEDSA-N 1 2 424.505 0.372 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000671126602 1079061234 /nfs/dbraw/zinc/06/12/34/1079061234.db2.gz PQAZBQJRZATEOS-KRWDZBQOSA-N 1 2 410.478 0.585 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000671126605 1079061252 /nfs/dbraw/zinc/06/12/52/1079061252.db2.gz PQAZBQJRZATEOS-QGZVFWFLSA-N 1 2 410.478 0.585 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000671126610 1079061068 /nfs/dbraw/zinc/06/10/68/1079061068.db2.gz JTIOEMWWRHUCAJ-KRWDZBQOSA-N 1 2 401.511 0.785 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000671126612 1079061265 /nfs/dbraw/zinc/06/12/65/1079061265.db2.gz JTIOEMWWRHUCAJ-QGZVFWFLSA-N 1 2 401.511 0.785 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000671127704 1079061725 /nfs/dbraw/zinc/06/17/25/1079061725.db2.gz WPQJDRIOBGFCBU-GOSISDBHSA-N 1 2 424.505 0.581 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000671127706 1079061651 /nfs/dbraw/zinc/06/16/51/1079061651.db2.gz WPQJDRIOBGFCBU-SFHVURJKSA-N 1 2 424.505 0.581 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000671133456 1079064382 /nfs/dbraw/zinc/06/43/82/1079064382.db2.gz CXGQDMCYBOOJEY-UHFFFAOYSA-N 1 2 407.496 0.276 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000671133939 1079066046 /nfs/dbraw/zinc/06/60/46/1079066046.db2.gz NRDRVQRABCBEFU-KRWDZBQOSA-N 1 2 424.567 0.507 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000671133939 1079066042 /nfs/dbraw/zinc/06/60/42/1079066042.db2.gz NRDRVQRABCBEFU-KRWDZBQOSA-N 1 2 424.567 0.507 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671133945 1079065998 /nfs/dbraw/zinc/06/59/98/1079065998.db2.gz OPPGVMPEBLFEML-UHFFFAOYSA-N 1 2 410.540 0.119 20 0 HCADLO COc1ccc(C)cc1CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000671142591 1079073987 /nfs/dbraw/zinc/07/39/87/1079073987.db2.gz LVWOEDYWMBORQV-UHFFFAOYSA-N 1 2 423.477 0.645 20 0 HCADLO C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@H+]1CCc2sccc2C1 ZINC000671150475 1079079140 /nfs/dbraw/zinc/07/91/40/1079079140.db2.gz UCMHYJASQOOZGN-AEFFLSMTSA-N 1 2 420.579 0.934 20 0 HCADLO C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000671150475 1079079133 /nfs/dbraw/zinc/07/91/33/1079079133.db2.gz UCMHYJASQOOZGN-AEFFLSMTSA-N 1 2 420.579 0.934 20 0 HCADLO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@H+]1CCc2sccc2C1 ZINC000671150476 1079079181 /nfs/dbraw/zinc/07/91/81/1079079181.db2.gz UCMHYJASQOOZGN-FUHWJXTLSA-N 1 2 420.579 0.934 20 0 HCADLO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000671150476 1079079175 /nfs/dbraw/zinc/07/91/75/1079079175.db2.gz UCMHYJASQOOZGN-FUHWJXTLSA-N 1 2 420.579 0.934 20 0 HCADLO C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@H+]1CCc2sccc2C1 ZINC000671150477 1079079258 /nfs/dbraw/zinc/07/92/58/1079079258.db2.gz UCMHYJASQOOZGN-SJLPKXTDSA-N 1 2 420.579 0.934 20 0 HCADLO C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000671150477 1079079256 /nfs/dbraw/zinc/07/92/56/1079079256.db2.gz UCMHYJASQOOZGN-SJLPKXTDSA-N 1 2 420.579 0.934 20 0 HCADLO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@H+]1CCc2sccc2C1 ZINC000671150478 1079079055 /nfs/dbraw/zinc/07/90/55/1079079055.db2.gz UCMHYJASQOOZGN-WMZOPIPTSA-N 1 2 420.579 0.934 20 0 HCADLO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000671150478 1079079046 /nfs/dbraw/zinc/07/90/46/1079079046.db2.gz UCMHYJASQOOZGN-WMZOPIPTSA-N 1 2 420.579 0.934 20 0 HCADLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nccc(N3CCn4cnnc4C3)n2)cc1 ZINC000671152210 1079080529 /nfs/dbraw/zinc/08/05/29/1079080529.db2.gz WCCULQVGLPBCRU-UHFFFAOYSA-N 1 2 414.495 0.951 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000671152452 1079080374 /nfs/dbraw/zinc/08/03/74/1079080374.db2.gz XIONASVAYWIZMU-AWEZNQCLSA-N 1 2 421.523 0.781 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000671152453 1079080545 /nfs/dbraw/zinc/08/05/45/1079080545.db2.gz XIONASVAYWIZMU-CQSZACIVSA-N 1 2 421.523 0.781 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1OCC(=O)NC ZINC000671152466 1079080497 /nfs/dbraw/zinc/08/04/97/1079080497.db2.gz BLJMNTLWMAGHTJ-GDBMZVCRSA-N 1 2 401.467 0.780 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1OCC(=O)NC ZINC000671152467 1079080396 /nfs/dbraw/zinc/08/03/96/1079080396.db2.gz BLJMNTLWMAGHTJ-GOEBONIOSA-N 1 2 401.467 0.780 20 0 HCADLO CC[C@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1OCC(=O)NC ZINC000671152468 1079080630 /nfs/dbraw/zinc/08/06/30/1079080630.db2.gz BLJMNTLWMAGHTJ-HOCLYGCPSA-N 1 2 401.467 0.780 20 0 HCADLO CC[C@H](NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1OCC(=O)NC ZINC000671152469 1079080419 /nfs/dbraw/zinc/08/04/19/1079080419.db2.gz BLJMNTLWMAGHTJ-ZBFHGGJFSA-N 1 2 401.467 0.780 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000671152929 1079079904 /nfs/dbraw/zinc/07/99/04/1079079904.db2.gz SYUWDQBLORLDPR-AWEZNQCLSA-N 1 2 405.480 0.244 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000671152932 1079080006 /nfs/dbraw/zinc/08/00/06/1079080006.db2.gz SYUWDQBLORLDPR-CQSZACIVSA-N 1 2 405.480 0.244 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671153343 1079081387 /nfs/dbraw/zinc/08/13/87/1079081387.db2.gz SLIMUVWHDSYSAZ-CRAIPNDOSA-N 1 2 419.913 0.919 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671153344 1079081348 /nfs/dbraw/zinc/08/13/48/1079081348.db2.gz SLIMUVWHDSYSAZ-MAUKXSAKSA-N 1 2 419.913 0.919 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671153345 1079081444 /nfs/dbraw/zinc/08/14/44/1079081444.db2.gz SLIMUVWHDSYSAZ-QAPCUYQASA-N 1 2 419.913 0.919 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000671153346 1079081509 /nfs/dbraw/zinc/08/15/09/1079081509.db2.gz SLIMUVWHDSYSAZ-YJBOKZPZSA-N 1 2 419.913 0.919 20 0 HCADLO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000671172731 1079091951 /nfs/dbraw/zinc/09/19/51/1079091951.db2.gz ATCLSKNJBOAVRF-CYBMUJFWSA-N 1 2 418.947 0.575 20 0 HCADLO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000671172731 1079091944 /nfs/dbraw/zinc/09/19/44/1079091944.db2.gz ATCLSKNJBOAVRF-CYBMUJFWSA-N 1 2 418.947 0.575 20 0 HCADLO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000671172732 1079091885 /nfs/dbraw/zinc/09/18/85/1079091885.db2.gz ATCLSKNJBOAVRF-ZDUSSCGKSA-N 1 2 418.947 0.575 20 0 HCADLO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000671172732 1079091879 /nfs/dbraw/zinc/09/18/79/1079091879.db2.gz ATCLSKNJBOAVRF-ZDUSSCGKSA-N 1 2 418.947 0.575 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2CC1 ZINC000671179527 1079099005 /nfs/dbraw/zinc/09/90/05/1079099005.db2.gz IJNZMFVINGMIAX-LEWJYISDSA-N 1 2 421.563 0.853 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2CC1 ZINC000671179532 1079098837 /nfs/dbraw/zinc/09/88/37/1079098837.db2.gz IJNZMFVINGMIAX-NHCUHLMSSA-N 1 2 421.563 0.853 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2CC1 ZINC000671179533 1079098936 /nfs/dbraw/zinc/09/89/36/1079098936.db2.gz IJNZMFVINGMIAX-RTWAWAEBSA-N 1 2 421.563 0.853 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2CC1 ZINC000671179534 1079099026 /nfs/dbraw/zinc/09/90/26/1079099026.db2.gz IJNZMFVINGMIAX-SFTDATJTSA-N 1 2 421.563 0.853 20 0 HCADLO O=C(N[C@H]1CCCN(c2ncccn2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671179571 1079099039 /nfs/dbraw/zinc/09/90/39/1079099039.db2.gz LJCXLXGAURZYSV-IBGZPJMESA-N 1 2 408.506 0.906 20 0 HCADLO O=C(N[C@@H]1CCCN(c2ncccn2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671179573 1079098749 /nfs/dbraw/zinc/09/87/49/1079098749.db2.gz LJCXLXGAURZYSV-LJQANCHMSA-N 1 2 408.506 0.906 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cc2CC1 ZINC000671182922 1079099872 /nfs/dbraw/zinc/09/98/72/1079099872.db2.gz CVUGCADMWRZZLZ-UHFFFAOYSA-N 1 2 409.552 0.711 20 0 HCADLO CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@H+](CCO)C(C)(C)C3)cc2CC1 ZINC000671182922 1079099865 /nfs/dbraw/zinc/09/98/65/1079099865.db2.gz CVUGCADMWRZZLZ-UHFFFAOYSA-N 1 2 409.552 0.711 20 0 HCADLO CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000671207377 1079120134 /nfs/dbraw/zinc/12/01/34/1079120134.db2.gz IVLBJGUGEPZTGE-HNNXBMFYSA-N 1 2 409.556 0.298 20 0 HCADLO CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000671207379 1079120152 /nfs/dbraw/zinc/12/01/52/1079120152.db2.gz IVLBJGUGEPZTGE-OAHLLOKOSA-N 1 2 409.556 0.298 20 0 HCADLO O=S1(=O)C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H](N2CCOCC2)C1 ZINC000671242233 1079139203 /nfs/dbraw/zinc/13/92/03/1079139203.db2.gz NCGCXBRBPAQBJT-ACRUOGEOSA-N 1 2 423.579 0.365 20 0 HCADLO O=S1(=O)C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H](N2CCOCC2)C1 ZINC000671242233 1079139198 /nfs/dbraw/zinc/13/91/98/1079139198.db2.gz NCGCXBRBPAQBJT-ACRUOGEOSA-N 1 2 423.579 0.365 20 0 HCADLO O=S1(=O)C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H](N2CCOCC2)C1 ZINC000671242234 1079139258 /nfs/dbraw/zinc/13/92/58/1079139258.db2.gz NCGCXBRBPAQBJT-HKBOAZHASA-N 1 2 423.579 0.365 20 0 HCADLO O=S1(=O)C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H](N2CCOCC2)C1 ZINC000671242234 1079139256 /nfs/dbraw/zinc/13/92/56/1079139256.db2.gz NCGCXBRBPAQBJT-HKBOAZHASA-N 1 2 423.579 0.365 20 0 HCADLO O=S1(=O)C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](N2CCOCC2)C1 ZINC000671242235 1079139142 /nfs/dbraw/zinc/13/91/42/1079139142.db2.gz NCGCXBRBPAQBJT-PCCBWWKXSA-N 1 2 423.579 0.365 20 0 HCADLO O=S1(=O)C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H](N2CCOCC2)C1 ZINC000671242235 1079139139 /nfs/dbraw/zinc/13/91/39/1079139139.db2.gz NCGCXBRBPAQBJT-PCCBWWKXSA-N 1 2 423.579 0.365 20 0 HCADLO O=S1(=O)C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](N2CCOCC2)C1 ZINC000671242236 1079139062 /nfs/dbraw/zinc/13/90/62/1079139062.db2.gz NCGCXBRBPAQBJT-QHAWAJNXSA-N 1 2 423.579 0.365 20 0 HCADLO O=S1(=O)C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H](N2CCOCC2)C1 ZINC000671242236 1079139058 /nfs/dbraw/zinc/13/90/58/1079139058.db2.gz NCGCXBRBPAQBJT-QHAWAJNXSA-N 1 2 423.579 0.365 20 0 HCADLO O=C(C[N@@H+]1CCCCC[C@@H]1CCO)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000671246955 1079140872 /nfs/dbraw/zinc/14/08/72/1079140872.db2.gz QRWYDAOCKPQGJO-FGTMMUONSA-N 1 2 402.557 0.808 20 0 HCADLO O=C(C[N@H+]1CCCCC[C@@H]1CCO)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000671246955 1079140869 /nfs/dbraw/zinc/14/08/69/1079140869.db2.gz QRWYDAOCKPQGJO-FGTMMUONSA-N 1 2 402.557 0.808 20 0 HCADLO O=C(C[N@@H+]1CCCCC[C@@H]1CCO)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000671246956 1079140940 /nfs/dbraw/zinc/14/09/40/1079140940.db2.gz QRWYDAOCKPQGJO-KURKYZTESA-N 1 2 402.557 0.808 20 0 HCADLO O=C(C[N@H+]1CCCCC[C@@H]1CCO)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000671246956 1079140938 /nfs/dbraw/zinc/14/09/38/1079140938.db2.gz QRWYDAOCKPQGJO-KURKYZTESA-N 1 2 402.557 0.808 20 0 HCADLO O=C(C[N@@H+]1CCCCC[C@@H]1CCO)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000671246957 1079140847 /nfs/dbraw/zinc/14/08/47/1079140847.db2.gz QRWYDAOCKPQGJO-KZNAEPCWSA-N 1 2 402.557 0.808 20 0 HCADLO O=C(C[N@H+]1CCCCC[C@@H]1CCO)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000671246957 1079140842 /nfs/dbraw/zinc/14/08/42/1079140842.db2.gz QRWYDAOCKPQGJO-KZNAEPCWSA-N 1 2 402.557 0.808 20 0 HCADLO O=C(C[N@@H+]1CCCCC[C@@H]1CCO)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000671246958 1079140899 /nfs/dbraw/zinc/14/08/99/1079140899.db2.gz QRWYDAOCKPQGJO-SQNIBIBYSA-N 1 2 402.557 0.808 20 0 HCADLO O=C(C[N@H+]1CCCCC[C@@H]1CCO)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000671246958 1079140897 /nfs/dbraw/zinc/14/08/97/1079140897.db2.gz QRWYDAOCKPQGJO-SQNIBIBYSA-N 1 2 402.557 0.808 20 0 HCADLO COc1c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc(Cl)cc1C(N)=O ZINC000671259082 1079141456 /nfs/dbraw/zinc/14/14/56/1079141456.db2.gz NPSNORCJSOEKJZ-CYBMUJFWSA-N 1 2 424.885 0.709 20 0 HCADLO COc1c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(Cl)cc1C(N)=O ZINC000671259083 1079142026 /nfs/dbraw/zinc/14/20/26/1079142026.db2.gz NPSNORCJSOEKJZ-ZDUSSCGKSA-N 1 2 424.885 0.709 20 0 HCADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000671259274 1079143136 /nfs/dbraw/zinc/14/31/36/1079143136.db2.gz URSGHCMUUWKGBB-UHFFFAOYSA-N 1 2 423.473 0.314 20 0 HCADLO COc1ccc(Cn2cc(NC(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)cn2)cc1 ZINC000671261844 1079144111 /nfs/dbraw/zinc/14/41/11/1079144111.db2.gz IFENZRFMEMVRDI-OAHLLOKOSA-N 1 2 401.467 0.404 20 0 HCADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000671263250 1079145866 /nfs/dbraw/zinc/14/58/66/1079145866.db2.gz LMYJNGWUNNMWHV-GOSISDBHSA-N 1 2 423.473 0.485 20 0 HCADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000671263250 1079145864 /nfs/dbraw/zinc/14/58/64/1079145864.db2.gz LMYJNGWUNNMWHV-GOSISDBHSA-N 1 2 423.473 0.485 20 0 HCADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000671263251 1079145922 /nfs/dbraw/zinc/14/59/22/1079145922.db2.gz LMYJNGWUNNMWHV-SFHVURJKSA-N 1 2 423.473 0.485 20 0 HCADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000671263251 1079145920 /nfs/dbraw/zinc/14/59/20/1079145920.db2.gz LMYJNGWUNNMWHV-SFHVURJKSA-N 1 2 423.473 0.485 20 0 HCADLO O=C(NCCc1ccc2c[nH]nc2c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000671269319 1079157558 /nfs/dbraw/zinc/15/75/58/1079157558.db2.gz HIMLLDNMLCLEBW-UHFFFAOYSA-N 1 2 411.466 0.389 20 0 HCADLO O=C(NCCc1ccc2c[nH]nc2c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000671269470 1079157723 /nfs/dbraw/zinc/15/77/23/1079157723.db2.gz QKXNWLSJCDHHAI-UHFFFAOYSA-N 1 2 411.466 0.389 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]3[C@@H]3CCCO3)ccn2)CC1 ZINC000671270544 1079158313 /nfs/dbraw/zinc/15/83/13/1079158313.db2.gz YQPOWTVZLSOKGR-MSOLQXFVSA-N 1 2 415.494 0.578 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]3[C@H]3CCCO3)ccn2)CC1 ZINC000671270550 1079158356 /nfs/dbraw/zinc/15/83/56/1079158356.db2.gz YQPOWTVZLSOKGR-QZTJIDSGSA-N 1 2 415.494 0.578 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]3[C@@H]3CCCO3)ccn2)CC1 ZINC000671270551 1079158222 /nfs/dbraw/zinc/15/82/22/1079158222.db2.gz YQPOWTVZLSOKGR-ROUUACIJSA-N 1 2 415.494 0.578 20 0 HCADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]3[C@H]3CCCO3)ccn2)CC1 ZINC000671270552 1079158133 /nfs/dbraw/zinc/15/81/33/1079158133.db2.gz YQPOWTVZLSOKGR-ZWKOTPCHSA-N 1 2 415.494 0.578 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC2(CCOCC2)CC1 ZINC000671275053 1079159633 /nfs/dbraw/zinc/15/96/33/1079159633.db2.gz FAMMUYJQSBCJNN-UHFFFAOYSA-N 1 2 405.499 0.573 20 0 HCADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC2(CCOCC2)CC1 ZINC000671277722 1079154444 /nfs/dbraw/zinc/15/44/44/1079154444.db2.gz YJHLUYGAGVNGJK-UHFFFAOYSA-N 1 2 405.499 0.573 20 0 HCADLO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000671285220 1079164017 /nfs/dbraw/zinc/16/40/17/1079164017.db2.gz VTRRFCRMVICLGG-GOSISDBHSA-N 1 2 423.535 0.171 20 0 HCADLO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000671285224 1079163249 /nfs/dbraw/zinc/16/32/49/1079163249.db2.gz VTRRFCRMVICLGG-SFHVURJKSA-N 1 2 423.535 0.171 20 0 HCADLO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000671285236 1079163424 /nfs/dbraw/zinc/16/34/24/1079163424.db2.gz NIIKVMQWXABBJT-KRWDZBQOSA-N 1 2 416.503 0.638 20 0 HCADLO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000671285240 1079163219 /nfs/dbraw/zinc/16/32/19/1079163219.db2.gz NIIKVMQWXABBJT-QGZVFWFLSA-N 1 2 416.503 0.638 20 0 HCADLO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000671285441 1079163902 /nfs/dbraw/zinc/16/39/02/1079163902.db2.gz JZBIMTBUSKZJOA-UHFFFAOYSA-N 1 2 415.515 0.979 20 0 HCADLO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000671285609 1079164085 /nfs/dbraw/zinc/16/40/85/1079164085.db2.gz IXCZJSIJSWGPON-KRWDZBQOSA-N 1 2 404.492 0.908 20 0 HCADLO CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000671285610 1079164051 /nfs/dbraw/zinc/16/40/51/1079164051.db2.gz IXCZJSIJSWGPON-QGZVFWFLSA-N 1 2 404.492 0.908 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000671308102 1079202013 /nfs/dbraw/zinc/20/20/13/1079202013.db2.gz OZCORSVBJKHLIZ-KRWDZBQOSA-N 1 2 412.494 0.190 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000671308102 1079202008 /nfs/dbraw/zinc/20/20/08/1079202008.db2.gz OZCORSVBJKHLIZ-KRWDZBQOSA-N 1 2 412.494 0.190 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000671308103 1079201902 /nfs/dbraw/zinc/20/19/02/1079201902.db2.gz OZCORSVBJKHLIZ-QGZVFWFLSA-N 1 2 412.494 0.190 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000671308103 1079201897 /nfs/dbraw/zinc/20/18/97/1079201897.db2.gz OZCORSVBJKHLIZ-QGZVFWFLSA-N 1 2 412.494 0.190 20 0 HCADLO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671308121 1079201952 /nfs/dbraw/zinc/20/19/52/1079201952.db2.gz WUSIKFNPPZOSRK-UHFFFAOYSA-N 1 2 412.494 0.019 20 0 HCADLO O=C(CCNC(=O)C(=O)NC[C@H]1Cc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000671322609 1079217434 /nfs/dbraw/zinc/21/74/34/1079217434.db2.gz GAZFJYCFAHHMMZ-GOSISDBHSA-N 1 2 421.501 0.693 20 0 HCADLO O=C(CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000671322610 1079217455 /nfs/dbraw/zinc/21/74/55/1079217455.db2.gz GAZFJYCFAHHMMZ-SFHVURJKSA-N 1 2 421.501 0.693 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000671326346 1079219475 /nfs/dbraw/zinc/21/94/75/1079219475.db2.gz RYRFFIFLCADYMI-HNNXBMFYSA-N 1 2 405.462 0.468 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000671326350 1079219768 /nfs/dbraw/zinc/21/97/68/1079219768.db2.gz RYRFFIFLCADYMI-OAHLLOKOSA-N 1 2 405.462 0.468 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000671329041 1079221119 /nfs/dbraw/zinc/22/11/19/1079221119.db2.gz QKHIOXXVXRRXTG-GOSISDBHSA-N 1 2 400.523 0.845 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000671329041 1079221109 /nfs/dbraw/zinc/22/11/09/1079221109.db2.gz QKHIOXXVXRRXTG-GOSISDBHSA-N 1 2 400.523 0.845 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000671329043 1079221528 /nfs/dbraw/zinc/22/15/28/1079221528.db2.gz QKHIOXXVXRRXTG-SFHVURJKSA-N 1 2 400.523 0.845 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000671329043 1079221521 /nfs/dbraw/zinc/22/15/21/1079221521.db2.gz QKHIOXXVXRRXTG-SFHVURJKSA-N 1 2 400.523 0.845 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCOC1 ZINC000671334311 1079225661 /nfs/dbraw/zinc/22/56/61/1079225661.db2.gz KXHWAGDNYYFQIK-KRWDZBQOSA-N 1 2 405.495 0.557 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCOC1 ZINC000671334315 1079225520 /nfs/dbraw/zinc/22/55/20/1079225520.db2.gz KXHWAGDNYYFQIK-QGZVFWFLSA-N 1 2 405.495 0.557 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@H]1CCCOC1 ZINC000671334817 1079225736 /nfs/dbraw/zinc/22/57/36/1079225736.db2.gz PCKLGLOTTFKSLY-GOSISDBHSA-N 1 2 405.495 0.557 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@@H]1CCCOC1 ZINC000671334822 1079225755 /nfs/dbraw/zinc/22/57/55/1079225755.db2.gz PCKLGLOTTFKSLY-SFHVURJKSA-N 1 2 405.495 0.557 20 0 HCADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000671343927 1079779027 /nfs/dbraw/zinc/77/90/27/1079779027.db2.gz HOEAOKHAYHDWFF-CYBMUJFWSA-N 1 2 409.368 0.768 20 0 HCADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000671343928 1079779371 /nfs/dbraw/zinc/77/93/71/1079779371.db2.gz HOEAOKHAYHDWFF-ZDUSSCGKSA-N 1 2 409.368 0.768 20 0 HCADLO Cc1nccnc1N1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000671344469 1079233949 /nfs/dbraw/zinc/23/39/49/1079233949.db2.gz JZOXKICBPNJGTN-UHFFFAOYSA-N 1 2 405.462 0.936 20 0 HCADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000671344641 1079233095 /nfs/dbraw/zinc/23/30/95/1079233095.db2.gz RGWNAQZADWJDHY-UHFFFAOYSA-N 1 2 420.473 0.701 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000671344689 1079233274 /nfs/dbraw/zinc/23/32/74/1079233274.db2.gz BYEGXIJIBMGRDY-UHFFFAOYSA-N 1 2 413.478 0.490 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1N1CCCC1 ZINC000671346623 1079235040 /nfs/dbraw/zinc/23/50/40/1079235040.db2.gz IOGGHHIGXXACJS-GOSISDBHSA-N 1 2 404.511 0.055 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1N1CCCC1 ZINC000671346624 1079234916 /nfs/dbraw/zinc/23/49/16/1079234916.db2.gz IOGGHHIGXXACJS-SFHVURJKSA-N 1 2 404.511 0.055 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000671348505 1079235581 /nfs/dbraw/zinc/23/55/81/1079235581.db2.gz CMFVNYSKXHYHRM-UHFFFAOYSA-N 1 2 407.496 0.492 20 0 HCADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000671348914 1079235559 /nfs/dbraw/zinc/23/55/59/1079235559.db2.gz MRZDGUNUYKMMSF-UHFFFAOYSA-N 1 2 409.441 0.716 20 0 HCADLO O=C(NCCCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000671348942 1079235488 /nfs/dbraw/zinc/23/54/88/1079235488.db2.gz WBDNMKACSRHERP-UHFFFAOYSA-N 1 2 419.507 0.636 20 0 HCADLO O=C(NCc1cccc2c1OCCCO2)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671351808 1079236991 /nfs/dbraw/zinc/23/69/91/1079236991.db2.gz WZANITQVDFPMHF-KRWDZBQOSA-N 1 2 403.479 0.787 20 0 HCADLO O=C(NCc1cccc2c1OCCCO2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671351811 1080077569 /nfs/dbraw/zinc/07/75/69/1080077569.db2.gz WZANITQVDFPMHF-QGZVFWFLSA-N 1 2 403.479 0.787 20 0 HCADLO Cc1nccc(CNC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000671362197 1079249735 /nfs/dbraw/zinc/24/97/35/1079249735.db2.gz QDDISEAOOARJDS-UHFFFAOYSA-N 1 2 416.913 0.993 20 0 HCADLO CCN(CCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)S(C)(=O)=O ZINC000671362589 1079252539 /nfs/dbraw/zinc/25/25/39/1079252539.db2.gz YUNHOZKNPZYQCS-KRWDZBQOSA-N 1 2 424.567 0.507 20 0 HCADLO CCN(CCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)S(C)(=O)=O ZINC000671362589 1079252535 /nfs/dbraw/zinc/25/25/35/1079252535.db2.gz YUNHOZKNPZYQCS-KRWDZBQOSA-N 1 2 424.567 0.507 20 0 HCADLO CCN(CCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000671362651 1079251529 /nfs/dbraw/zinc/25/15/29/1079251529.db2.gz CDAAQNOOBGKMED-UHFFFAOYSA-N 1 2 410.540 0.119 20 0 HCADLO COCCOc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671369109 1080340912 /nfs/dbraw/zinc/34/09/12/1080340912.db2.gz LVITXZOEBKJCBZ-GOSISDBHSA-N 1 2 405.495 0.651 20 0 HCADLO COCCOc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671369110 1079260012 /nfs/dbraw/zinc/26/00/12/1079260012.db2.gz LVITXZOEBKJCBZ-SFHVURJKSA-N 1 2 405.495 0.651 20 0 HCADLO O=C(NCc1cccc(Cn2cccn2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671370758 1079265758 /nfs/dbraw/zinc/26/57/58/1079265758.db2.gz JSBYLVRHCYYCGL-FQEVSTJZSA-N 1 2 411.506 0.871 20 0 HCADLO O=C(NCc1cccc(Cn2cccn2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671370760 1079265784 /nfs/dbraw/zinc/26/57/84/1079265784.db2.gz JSBYLVRHCYYCGL-HXUWFJFHSA-N 1 2 411.506 0.871 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000671374117 1079269778 /nfs/dbraw/zinc/26/97/78/1079269778.db2.gz UUNBKELXDDEHBL-KRWDZBQOSA-N 1 2 407.511 0.632 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000671374118 1079269687 /nfs/dbraw/zinc/26/96/87/1079269687.db2.gz UUNBKELXDDEHBL-QGZVFWFLSA-N 1 2 407.511 0.632 20 0 HCADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000671390638 1079278659 /nfs/dbraw/zinc/27/86/59/1079278659.db2.gz HPDYYASRVNSRKP-KRWDZBQOSA-N 1 2 406.552 0.546 20 0 HCADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000671390638 1079278647 /nfs/dbraw/zinc/27/86/47/1079278647.db2.gz HPDYYASRVNSRKP-KRWDZBQOSA-N 1 2 406.552 0.546 20 0 HCADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000671390639 1079279106 /nfs/dbraw/zinc/27/91/06/1079279106.db2.gz HPDYYASRVNSRKP-QGZVFWFLSA-N 1 2 406.552 0.546 20 0 HCADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000671390639 1079279097 /nfs/dbraw/zinc/27/90/97/1079279097.db2.gz HPDYYASRVNSRKP-QGZVFWFLSA-N 1 2 406.552 0.546 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000671391085 1079277001 /nfs/dbraw/zinc/27/70/01/1079277001.db2.gz JKYPBVPQVPNHBQ-UHFFFAOYSA-N 1 2 422.551 0.224 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000671391085 1079276989 /nfs/dbraw/zinc/27/69/89/1079276989.db2.gz JKYPBVPQVPNHBQ-UHFFFAOYSA-N 1 2 422.551 0.224 20 0 HCADLO COc1ccc(CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(OC)c1 ZINC000671391845 1079278919 /nfs/dbraw/zinc/27/89/19/1079278919.db2.gz QJPOVLVRGOUSFI-GOSISDBHSA-N 1 2 405.495 0.686 20 0 HCADLO COc1ccc(CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000671391846 1081364702 /nfs/dbraw/zinc/36/47/02/1081364702.db2.gz QJPOVLVRGOUSFI-SFHVURJKSA-N 1 2 405.495 0.686 20 0 HCADLO COc1ccc(OCCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000671392752 1079279630 /nfs/dbraw/zinc/27/96/30/1079279630.db2.gz ABICDGRBKJIILZ-IBGZPJMESA-N 1 2 405.495 0.904 20 0 HCADLO COc1ccc(OCCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000671392753 1081368742 /nfs/dbraw/zinc/36/87/42/1081368742.db2.gz ABICDGRBKJIILZ-LJQANCHMSA-N 1 2 405.495 0.904 20 0 HCADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671394080 1079279489 /nfs/dbraw/zinc/27/94/89/1079279489.db2.gz DOZIVDZJXRMXJL-APWZRJJASA-N 1 2 416.522 0.508 20 0 HCADLO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671394081 1079280229 /nfs/dbraw/zinc/28/02/29/1079280229.db2.gz DOZIVDZJXRMXJL-LPHOPBHVSA-N 1 2 416.522 0.508 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671394082 1079280111 /nfs/dbraw/zinc/28/01/11/1079280111.db2.gz DOZIVDZJXRMXJL-QFBILLFUSA-N 1 2 416.522 0.508 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671394083 1081373851 /nfs/dbraw/zinc/37/38/51/1081373851.db2.gz DOZIVDZJXRMXJL-VQIMIIECSA-N 1 2 416.522 0.508 20 0 HCADLO COc1cc(N2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)CC2)ncn1 ZINC000671394155 1079280281 /nfs/dbraw/zinc/28/02/81/1079280281.db2.gz DJTCMOWOPIEOIJ-UHFFFAOYSA-N 1 2 410.478 0.266 20 0 HCADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C2=O)n1 ZINC000671394184 1079280306 /nfs/dbraw/zinc/28/03/06/1079280306.db2.gz DRTZJDLAXCRMJL-KRWDZBQOSA-N 1 2 410.478 0.164 20 0 HCADLO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C2=O)n1 ZINC000671394185 1079280093 /nfs/dbraw/zinc/28/00/93/1079280093.db2.gz DRTZJDLAXCRMJL-QGZVFWFLSA-N 1 2 410.478 0.164 20 0 HCADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671394285 1081376136 /nfs/dbraw/zinc/37/61/36/1081376136.db2.gz HOFMEIWEXRQACM-KRWDZBQOSA-N 1 2 415.538 0.177 20 0 HCADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671394286 1079279777 /nfs/dbraw/zinc/27/97/77/1079279777.db2.gz HOFMEIWEXRQACM-QGZVFWFLSA-N 1 2 415.538 0.177 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000671394382 1079280204 /nfs/dbraw/zinc/28/02/04/1079280204.db2.gz HLXXSXZUWLZNBG-HNNXBMFYSA-N 1 2 412.412 0.788 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000671394383 1079280363 /nfs/dbraw/zinc/28/03/63/1079280363.db2.gz HLXXSXZUWLZNBG-OAHLLOKOSA-N 1 2 412.412 0.788 20 0 HCADLO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394990 1079282483 /nfs/dbraw/zinc/28/24/83/1079282483.db2.gz QRDMIOBCJURGJN-GOSISDBHSA-N 1 2 422.551 0.439 20 0 HCADLO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394991 1079282355 /nfs/dbraw/zinc/28/23/55/1079282355.db2.gz QRDMIOBCJURGJN-SFHVURJKSA-N 1 2 422.551 0.439 20 0 HCADLO Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C2)n(C)n1 ZINC000671395126 1081378306 /nfs/dbraw/zinc/37/83/06/1081378306.db2.gz AOOIZBSVGAIBAJ-IBGZPJMESA-N 1 2 410.522 0.946 20 0 HCADLO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C2)n(C)n1 ZINC000671395128 1081378745 /nfs/dbraw/zinc/37/87/45/1081378745.db2.gz AOOIZBSVGAIBAJ-LJQANCHMSA-N 1 2 410.522 0.946 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671395412 1079280878 /nfs/dbraw/zinc/28/08/78/1079280878.db2.gz FERKLOIMZMTTTH-UHFFFAOYSA-N 1 2 401.511 0.771 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671395688 1079281778 /nfs/dbraw/zinc/28/17/78/1079281778.db2.gz BDWYULXJPSECPU-UHFFFAOYSA-N 1 2 402.495 0.120 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)s1 ZINC000671395784 1079282025 /nfs/dbraw/zinc/28/20/25/1079282025.db2.gz ILJPINDQZJMANR-UHFFFAOYSA-N 1 2 407.517 0.900 20 0 HCADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395989 1079281949 /nfs/dbraw/zinc/28/19/49/1079281949.db2.gz LLPCJCOWRMXDNV-UHFFFAOYSA-N 1 2 409.490 0.331 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671396147 1079281478 /nfs/dbraw/zinc/28/14/78/1079281478.db2.gz HTAOGMJAPGZJEV-GOSISDBHSA-N 1 2 421.501 0.612 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671396149 1079281389 /nfs/dbraw/zinc/28/13/89/1079281389.db2.gz HTAOGMJAPGZJEV-SFHVURJKSA-N 1 2 421.501 0.612 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000671396608 1079284881 /nfs/dbraw/zinc/28/48/81/1079284881.db2.gz PJLQBPMZWLLBLF-UHFFFAOYSA-N 1 2 407.474 0.498 20 0 HCADLO O=C(NCCN1Cc2ccccc2C1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000671396873 1079284058 /nfs/dbraw/zinc/28/40/58/1079284058.db2.gz UBYMHPJGTGIXFY-PMACEKPBSA-N 1 2 400.523 0.878 20 0 HCADLO O=C(NCCN1Cc2ccccc2C1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000671396874 1079284039 /nfs/dbraw/zinc/28/40/39/1079284039.db2.gz UBYMHPJGTGIXFY-UXHICEINSA-N 1 2 400.523 0.878 20 0 HCADLO O=C(NCCN1Cc2ccccc2C1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000671396875 1079284255 /nfs/dbraw/zinc/28/42/55/1079284255.db2.gz UBYMHPJGTGIXFY-VQTJNVASSA-N 1 2 400.523 0.878 20 0 HCADLO O=C(NCCN1Cc2ccccc2C1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000671396876 1079284358 /nfs/dbraw/zinc/28/43/58/1079284358.db2.gz UBYMHPJGTGIXFY-WOJBJXKFSA-N 1 2 400.523 0.878 20 0 HCADLO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)CC2)n1 ZINC000671397060 1079283050 /nfs/dbraw/zinc/28/30/50/1079283050.db2.gz YKNIPFDSCYTERE-UHFFFAOYSA-N 1 2 408.506 0.874 20 0 HCADLO COCCC(=O)N1CCC(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671397069 1079282957 /nfs/dbraw/zinc/28/29/57/1079282957.db2.gz QBSDCPDCJDLMIR-UHFFFAOYSA-N 1 2 402.495 0.262 20 0 HCADLO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000671397110 1079283033 /nfs/dbraw/zinc/28/30/33/1079283033.db2.gz QZNXWOOSCBXFAK-UHFFFAOYSA-N 1 2 415.515 0.979 20 0 HCADLO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671397475 1079285637 /nfs/dbraw/zinc/28/56/37/1079285637.db2.gz RQXBOPQXFKBFAN-UHFFFAOYSA-N 1 2 412.465 0.733 20 0 HCADLO CCc1nsc(N2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)CC2)n1 ZINC000671397712 1079284846 /nfs/dbraw/zinc/28/48/46/1079284846.db2.gz VUNPZZKFGHIOAT-UHFFFAOYSA-N 1 2 414.535 0.881 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000671398091 1079284892 /nfs/dbraw/zinc/28/48/92/1079284892.db2.gz VCZUNZFHMWBJBM-FQEVSTJZSA-N 1 2 421.501 0.821 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000671398093 1079284931 /nfs/dbraw/zinc/28/49/31/1079284931.db2.gz VCZUNZFHMWBJBM-HXUWFJFHSA-N 1 2 421.501 0.821 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000671398757 1079284947 /nfs/dbraw/zinc/28/49/47/1079284947.db2.gz MDOSVPRPNUSKBX-IBGZPJMESA-N 1 2 407.474 0.825 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000671398763 1079284826 /nfs/dbraw/zinc/28/48/26/1079284826.db2.gz MDOSVPRPNUSKBX-LJQANCHMSA-N 1 2 407.474 0.825 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000671399390 1079286741 /nfs/dbraw/zinc/28/67/41/1079286741.db2.gz ZKTYCFIWTCVEDA-GOSISDBHSA-N 1 2 420.535 0.145 20 0 HCADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000671399391 1079286427 /nfs/dbraw/zinc/28/64/27/1079286427.db2.gz ZKTYCFIWTCVEDA-SFHVURJKSA-N 1 2 420.535 0.145 20 0 HCADLO O=C(NC[C@@]1(N2CCOCC2)CCSC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671399556 1079286632 /nfs/dbraw/zinc/28/66/32/1079286632.db2.gz MAPYVFVFJBUWLU-APWZRJJASA-N 1 2 407.540 0.371 20 0 HCADLO O=C(NC[C@@]1(N2CCOCC2)CCSC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671399557 1079286764 /nfs/dbraw/zinc/28/67/64/1079286764.db2.gz MAPYVFVFJBUWLU-LPHOPBHVSA-N 1 2 407.540 0.371 20 0 HCADLO O=C(NC[C@]1(N2CCOCC2)CCSC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671399558 1079286482 /nfs/dbraw/zinc/28/64/82/1079286482.db2.gz MAPYVFVFJBUWLU-QFBILLFUSA-N 1 2 407.540 0.371 20 0 HCADLO O=C(NC[C@]1(N2CCOCC2)CCSC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671399559 1079286714 /nfs/dbraw/zinc/28/67/14/1079286714.db2.gz MAPYVFVFJBUWLU-VQIMIIECSA-N 1 2 407.540 0.371 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000671399610 1079286617 /nfs/dbraw/zinc/28/66/17/1079286617.db2.gz VGQRNWUTHPJEFE-GHTZIAJQSA-N 1 2 418.563 0.613 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000671399610 1079286608 /nfs/dbraw/zinc/28/66/08/1079286608.db2.gz VGQRNWUTHPJEFE-GHTZIAJQSA-N 1 2 418.563 0.613 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000671399613 1079286523 /nfs/dbraw/zinc/28/65/23/1079286523.db2.gz VGQRNWUTHPJEFE-NQIIRXRSSA-N 1 2 418.563 0.613 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000671399613 1079286516 /nfs/dbraw/zinc/28/65/16/1079286516.db2.gz VGQRNWUTHPJEFE-NQIIRXRSSA-N 1 2 418.563 0.613 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000671399616 1079286810 /nfs/dbraw/zinc/28/68/10/1079286810.db2.gz VGQRNWUTHPJEFE-RXVVDRJESA-N 1 2 418.563 0.613 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000671399616 1079286801 /nfs/dbraw/zinc/28/68/01/1079286801.db2.gz VGQRNWUTHPJEFE-RXVVDRJESA-N 1 2 418.563 0.613 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000671399617 1079286584 /nfs/dbraw/zinc/28/65/84/1079286584.db2.gz VGQRNWUTHPJEFE-WIYYLYMNSA-N 1 2 418.563 0.613 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000671399617 1079286573 /nfs/dbraw/zinc/28/65/73/1079286573.db2.gz VGQRNWUTHPJEFE-WIYYLYMNSA-N 1 2 418.563 0.613 20 0 HCADLO O=C(NCc1ccc(-n2ccnc2)c(F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671405485 1079289365 /nfs/dbraw/zinc/28/93/65/1079289365.db2.gz NXAVHEVJPNZDRL-KRWDZBQOSA-N 1 2 415.469 0.951 20 0 HCADLO O=C(NCc1ccc(-n2ccnc2)c(F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671405486 1079289542 /nfs/dbraw/zinc/28/95/42/1079289542.db2.gz NXAVHEVJPNZDRL-QGZVFWFLSA-N 1 2 415.469 0.951 20 0 HCADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000671417919 1079305647 /nfs/dbraw/zinc/30/56/47/1079305647.db2.gz URNIAJNYHZKSHR-GDBMZVCRSA-N 1 2 419.507 0.832 20 0 HCADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000671417922 1079305734 /nfs/dbraw/zinc/30/57/34/1079305734.db2.gz URNIAJNYHZKSHR-GOEBONIOSA-N 1 2 419.507 0.832 20 0 HCADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000671417954 1079305156 /nfs/dbraw/zinc/30/51/56/1079305156.db2.gz URNIAJNYHZKSHR-HOCLYGCPSA-N 1 2 419.507 0.832 20 0 HCADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000671417956 1079305324 /nfs/dbraw/zinc/30/53/24/1079305324.db2.gz URNIAJNYHZKSHR-ZBFHGGJFSA-N 1 2 419.507 0.832 20 0 HCADLO CNS(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)CC1 ZINC000671647554 1079581260 /nfs/dbraw/zinc/58/12/60/1079581260.db2.gz MBNPCBDGOBDMFI-UHFFFAOYSA-N 1 2 424.567 0.824 20 0 HCADLO CNS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000671653128 1079583630 /nfs/dbraw/zinc/58/36/30/1079583630.db2.gz YVJGCWSMNXVLCB-UHFFFAOYSA-N 1 2 423.539 0.189 20 0 HCADLO COCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000671682256 1079767539 /nfs/dbraw/zinc/76/75/39/1079767539.db2.gz MBDXUILXKUTYNR-MSOLQXFVSA-N 1 2 411.524 0.283 20 0 HCADLO COCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000671682257 1079767851 /nfs/dbraw/zinc/76/78/51/1079767851.db2.gz MBDXUILXKUTYNR-QZTJIDSGSA-N 1 2 411.524 0.283 20 0 HCADLO COCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000671682258 1079767337 /nfs/dbraw/zinc/76/73/37/1079767337.db2.gz MBDXUILXKUTYNR-ROUUACIJSA-N 1 2 411.524 0.283 20 0 HCADLO COCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000671682259 1079767628 /nfs/dbraw/zinc/76/76/28/1079767628.db2.gz MBDXUILXKUTYNR-ZWKOTPCHSA-N 1 2 411.524 0.283 20 0 HCADLO CNS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000671749135 1079997936 /nfs/dbraw/zinc/99/79/36/1079997936.db2.gz BLKGEXKNZDVBJU-KRWDZBQOSA-N 1 2 405.524 0.996 20 0 HCADLO CNS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000671749136 1079998756 /nfs/dbraw/zinc/99/87/56/1079998756.db2.gz BLKGEXKNZDVBJU-QGZVFWFLSA-N 1 2 405.524 0.996 20 0 HCADLO O=C(NC1CCN(c2nccs2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671814846 1080035982 /nfs/dbraw/zinc/03/59/82/1080035982.db2.gz IBTBTEUGJXYLHZ-INIZCTEOSA-N 1 2 407.540 0.551 20 0 HCADLO O=C(NC1CCN(c2nccs2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671814848 1080036136 /nfs/dbraw/zinc/03/61/36/1080036136.db2.gz IBTBTEUGJXYLHZ-MRXNPFEDSA-N 1 2 407.540 0.551 20 0 HCADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CCN(c2nccs2)CC1 ZINC000671815381 1080036256 /nfs/dbraw/zinc/03/62/56/1080036256.db2.gz GBDZRAVASQHYOU-UHFFFAOYSA-N 1 2 409.556 0.797 20 0 HCADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CCN(c2nccs2)CC1 ZINC000671815381 1080036245 /nfs/dbraw/zinc/03/62/45/1080036245.db2.gz GBDZRAVASQHYOU-UHFFFAOYSA-N 1 2 409.556 0.797 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000671821799 1080044154 /nfs/dbraw/zinc/04/41/54/1080044154.db2.gz HQIORGZXYRLSAM-JOCHJYFZSA-N 1 2 417.506 0.653 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000671821800 1080044314 /nfs/dbraw/zinc/04/43/14/1080044314.db2.gz HQIORGZXYRLSAM-QFIPXVFZSA-N 1 2 417.506 0.653 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCOCC1 ZINC000671821852 1080044396 /nfs/dbraw/zinc/04/43/96/1080044396.db2.gz RGTZABYKNAYSTM-GOSISDBHSA-N 1 2 405.495 0.699 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@H]1CCCOCC1 ZINC000671821853 1080044134 /nfs/dbraw/zinc/04/41/34/1080044134.db2.gz RGTZABYKNAYSTM-SFHVURJKSA-N 1 2 405.495 0.699 20 0 HCADLO C[C@H]1COCCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671821943 1080043493 /nfs/dbraw/zinc/04/34/93/1080043493.db2.gz MEGBRRWIZNGXEN-KRWDZBQOSA-N 1 2 405.495 0.651 20 0 HCADLO C[C@@H]1COCCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671821944 1080043515 /nfs/dbraw/zinc/04/35/15/1080043515.db2.gz MEGBRRWIZNGXEN-QGZVFWFLSA-N 1 2 405.495 0.651 20 0 HCADLO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCCO1 ZINC000671821959 1080043569 /nfs/dbraw/zinc/04/35/69/1080043569.db2.gz OMCIOCXZOXDNBE-KRWDZBQOSA-N 1 2 405.495 0.651 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCCO1 ZINC000671821960 1080043724 /nfs/dbraw/zinc/04/37/24/1080043724.db2.gz OMCIOCXZOXDNBE-QGZVFWFLSA-N 1 2 405.495 0.651 20 0 HCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CCc2c[nH]nc2C1 ZINC000671822033 1080043611 /nfs/dbraw/zinc/04/36/11/1080043611.db2.gz FKKOHMZPJNYNSJ-UHFFFAOYSA-N 1 2 413.478 0.322 20 0 HCADLO O=C(NCc1ccc(F)cn1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822039 1080043631 /nfs/dbraw/zinc/04/36/31/1080043631.db2.gz IHUFGOFCDOIZPE-UHFFFAOYSA-N 1 2 416.453 0.864 20 0 HCADLO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822054 1080043426 /nfs/dbraw/zinc/04/34/26/1080043426.db2.gz LXAWSMDFDVOQOC-MSOLQXFVSA-N 1 2 419.522 0.945 20 0 HCADLO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822055 1080044351 /nfs/dbraw/zinc/04/43/51/1080044351.db2.gz LXAWSMDFDVOQOC-QZTJIDSGSA-N 1 2 419.522 0.945 20 0 HCADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822056 1080044421 /nfs/dbraw/zinc/04/44/21/1080044421.db2.gz LXAWSMDFDVOQOC-ROUUACIJSA-N 1 2 419.522 0.945 20 0 HCADLO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822057 1080043987 /nfs/dbraw/zinc/04/39/87/1080043987.db2.gz LXAWSMDFDVOQOC-ZWKOTPCHSA-N 1 2 419.522 0.945 20 0 HCADLO CN(C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CCOCC1 ZINC000671822072 1080043234 /nfs/dbraw/zinc/04/32/34/1080043234.db2.gz PCKPMBBRTBXCPV-UHFFFAOYSA-N 1 2 405.495 0.651 20 0 HCADLO C[C@]1(O)CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000671822083 1080042920 /nfs/dbraw/zinc/04/29/20/1080042920.db2.gz RBQRJRPKQGCOOU-NRFANRHFSA-N 1 2 405.495 0.387 20 0 HCADLO C[C@@]1(O)CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000671822084 1080042885 /nfs/dbraw/zinc/04/28/85/1080042885.db2.gz RBQRJRPKQGCOOU-OAQYLSRUSA-N 1 2 405.495 0.387 20 0 HCADLO CCN(C[C@H]1CCOC1)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822130 1080043210 /nfs/dbraw/zinc/04/32/10/1080043210.db2.gz IJRLLBDTXJVRCP-GOSISDBHSA-N 1 2 419.522 0.899 20 0 HCADLO CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822131 1080043708 /nfs/dbraw/zinc/04/37/08/1080043708.db2.gz IJRLLBDTXJVRCP-SFHVURJKSA-N 1 2 419.522 0.899 20 0 HCADLO COC[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822181 1080043678 /nfs/dbraw/zinc/04/36/78/1080043678.db2.gz SRPRMSLUJCHWKW-GOSISDBHSA-N 1 2 405.495 0.651 20 0 HCADLO COC[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822182 1080043535 /nfs/dbraw/zinc/04/35/35/1080043535.db2.gz SRPRMSLUJCHWKW-SFHVURJKSA-N 1 2 405.495 0.651 20 0 HCADLO Cc1ocnc1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822185 1080043472 /nfs/dbraw/zinc/04/34/72/1080043472.db2.gz UXBAFFHMXIVMQE-UHFFFAOYSA-N 1 2 402.451 0.627 20 0 HCADLO Cc1cc(CNC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)[nH]n1 ZINC000671822218 1080042396 /nfs/dbraw/zinc/04/23/96/1080042396.db2.gz ZQJRVQQMNFKIHR-UHFFFAOYSA-N 1 2 401.467 0.362 20 0 HCADLO O=C(NCc1cscn1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822285 1080043591 /nfs/dbraw/zinc/04/35/91/1080043591.db2.gz QUIHNQHHRSBCIE-UHFFFAOYSA-N 1 2 404.492 0.787 20 0 HCADLO CN(Cc1nccn1C)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822286 1080043452 /nfs/dbraw/zinc/04/34/52/1080043452.db2.gz RFKCBMNFVDVHDH-UHFFFAOYSA-N 1 2 415.494 0.406 20 0 HCADLO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822331 1080043127 /nfs/dbraw/zinc/04/31/27/1080043127.db2.gz ZRVPSRQZPMJRCK-GOSISDBHSA-N 1 2 405.495 0.243 20 0 HCADLO CN(C[C@H](O)C1CC1)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822332 1080042966 /nfs/dbraw/zinc/04/29/66/1080042966.db2.gz ZRVPSRQZPMJRCK-SFHVURJKSA-N 1 2 405.495 0.243 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000671822389 1080043068 /nfs/dbraw/zinc/04/30/68/1080043068.db2.gz QUKJURQIVMDDNO-JOCHJYFZSA-N 1 2 417.506 0.653 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000671822390 1080043102 /nfs/dbraw/zinc/04/31/02/1080043102.db2.gz QUKJURQIVMDDNO-QFIPXVFZSA-N 1 2 417.506 0.653 20 0 HCADLO CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822444 1080041857 /nfs/dbraw/zinc/04/18/57/1080041857.db2.gz FPKMBDMMNNHJBM-IBGZPJMESA-N 1 2 419.522 0.899 20 0 HCADLO CCN(C[C@H]1CCOC1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822445 1080041634 /nfs/dbraw/zinc/04/16/34/1080041634.db2.gz FPKMBDMMNNHJBM-LJQANCHMSA-N 1 2 419.522 0.899 20 0 HCADLO C[C@H]1COCCCN1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822458 1080042244 /nfs/dbraw/zinc/04/22/44/1080042244.db2.gz HWDFMDUUEHXJNB-KRWDZBQOSA-N 1 2 405.495 0.651 20 0 HCADLO C[C@@H]1COCCCN1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822459 1080042418 /nfs/dbraw/zinc/04/24/18/1080042418.db2.gz HWDFMDUUEHXJNB-QGZVFWFLSA-N 1 2 405.495 0.651 20 0 HCADLO Cc1cc(CNC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)ncn1 ZINC000671822472 1080042466 /nfs/dbraw/zinc/04/24/66/1080042466.db2.gz LKAXAJCIICFMFX-UHFFFAOYSA-N 1 2 413.478 0.429 20 0 HCADLO Cc1cc(CNC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)[nH]n1 ZINC000671822473 1080042202 /nfs/dbraw/zinc/04/22/02/1080042202.db2.gz OBBNGULMFSGBLY-UHFFFAOYSA-N 1 2 401.467 0.362 20 0 HCADLO CN(C[C@H](O)C1CC1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822559 1080042528 /nfs/dbraw/zinc/04/25/28/1080042528.db2.gz MNARUFZFRZOCQT-IBGZPJMESA-N 1 2 405.495 0.243 20 0 HCADLO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822560 1080042144 /nfs/dbraw/zinc/04/21/44/1080042144.db2.gz MNARUFZFRZOCQT-LJQANCHMSA-N 1 2 405.495 0.243 20 0 HCADLO O=C(NCc1cscn1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822570 1080043189 /nfs/dbraw/zinc/04/31/89/1080043189.db2.gz OJDOHOZQDNZWIY-UHFFFAOYSA-N 1 2 404.492 0.787 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCc2c[nH]nc2C1 ZINC000671822656 1080042224 /nfs/dbraw/zinc/04/22/24/1080042224.db2.gz IYCBTWHWEGACGS-UHFFFAOYSA-N 1 2 413.478 0.322 20 0 HCADLO COC[C@H]1CCCN1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822701 1080042493 /nfs/dbraw/zinc/04/24/93/1080042493.db2.gz YSOIBFUGLMNRDX-GOSISDBHSA-N 1 2 405.495 0.651 20 0 HCADLO COC[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822702 1080042588 /nfs/dbraw/zinc/04/25/88/1080042588.db2.gz YSOIBFUGLMNRDX-SFHVURJKSA-N 1 2 405.495 0.651 20 0 HCADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NCc1ccc(F)cn1 ZINC000671822705 1080042547 /nfs/dbraw/zinc/04/25/47/1080042547.db2.gz ZILAKHDUCLDAFQ-UHFFFAOYSA-N 1 2 416.453 0.864 20 0 HCADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822706 1080042447 /nfs/dbraw/zinc/04/24/47/1080042447.db2.gz ZYYBCJUZJMCVGD-HKUYNNGSSA-N 1 2 419.522 0.945 20 0 HCADLO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822707 1080042166 /nfs/dbraw/zinc/04/21/66/1080042166.db2.gz ZYYBCJUZJMCVGD-IEBWSBKVSA-N 1 2 419.522 0.945 20 0 HCADLO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822708 1080042570 /nfs/dbraw/zinc/04/25/70/1080042570.db2.gz ZYYBCJUZJMCVGD-MJGOQNOKSA-N 1 2 419.522 0.945 20 0 HCADLO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822709 1080042333 /nfs/dbraw/zinc/04/23/33/1080042333.db2.gz ZYYBCJUZJMCVGD-PKOBYXMFSA-N 1 2 419.522 0.945 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000671826749 1080047562 /nfs/dbraw/zinc/04/75/62/1080047562.db2.gz FVCBJDRYVFMUPR-HNNXBMFYSA-N 1 2 410.465 0.698 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000671826750 1080047585 /nfs/dbraw/zinc/04/75/85/1080047585.db2.gz FVCBJDRYVFMUPR-OAHLLOKOSA-N 1 2 410.465 0.698 20 0 HCADLO O=C(NCCCS(=O)(=O)c1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671847433 1080061898 /nfs/dbraw/zinc/06/18/98/1080061898.db2.gz HZYVLCXFUOIEMI-KRWDZBQOSA-N 1 2 423.535 0.290 20 0 HCADLO O=C(NCCCS(=O)(=O)c1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671847434 1080061990 /nfs/dbraw/zinc/06/19/90/1080061990.db2.gz HZYVLCXFUOIEMI-QGZVFWFLSA-N 1 2 423.535 0.290 20 0 HCADLO O=C(NCCCS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671847799 1080062252 /nfs/dbraw/zinc/06/22/52/1080062252.db2.gz TVQTYGFGMXUWHY-INIZCTEOSA-N 1 2 416.503 0.757 20 0 HCADLO O=C(NCCCS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671847800 1080062493 /nfs/dbraw/zinc/06/24/93/1080062493.db2.gz TVQTYGFGMXUWHY-MRXNPFEDSA-N 1 2 416.503 0.757 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccc(CO)c2)CC3)CC1 ZINC000671856330 1080067336 /nfs/dbraw/zinc/06/73/36/1080067336.db2.gz LZFYFVVQXPHFFR-INIZCTEOSA-N 1 2 411.506 0.755 20 0 HCADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cccc(CO)c2)CC3)CC1 ZINC000671856331 1080067158 /nfs/dbraw/zinc/06/71/58/1080067158.db2.gz LZFYFVVQXPHFFR-MRXNPFEDSA-N 1 2 411.506 0.755 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000671865740 1080074023 /nfs/dbraw/zinc/07/40/23/1080074023.db2.gz RTZJBPJIUFCPAG-INIZCTEOSA-N 1 2 422.913 0.632 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000671865741 1080074121 /nfs/dbraw/zinc/07/41/21/1080074121.db2.gz RTZJBPJIUFCPAG-MRXNPFEDSA-N 1 2 422.913 0.632 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000671870989 1080403254 /nfs/dbraw/zinc/40/32/54/1080403254.db2.gz YOQCKUUQNPMGHN-DOPJRALCSA-N 1 2 409.508 0.488 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000671870989 1080403226 /nfs/dbraw/zinc/40/32/26/1080403226.db2.gz YOQCKUUQNPMGHN-DOPJRALCSA-N 1 2 409.508 0.488 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000671870990 1080087559 /nfs/dbraw/zinc/08/75/59/1080087559.db2.gz YOQCKUUQNPMGHN-KKXDTOCCSA-N 1 2 409.508 0.488 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000671870990 1080087549 /nfs/dbraw/zinc/08/75/49/1080087549.db2.gz YOQCKUUQNPMGHN-KKXDTOCCSA-N 1 2 409.508 0.488 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000671870991 1080087355 /nfs/dbraw/zinc/08/73/55/1080087355.db2.gz YOQCKUUQNPMGHN-MORSLUCNSA-N 1 2 409.508 0.488 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000671870991 1080087346 /nfs/dbraw/zinc/08/73/46/1080087346.db2.gz YOQCKUUQNPMGHN-MORSLUCNSA-N 1 2 409.508 0.488 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000671870992 1080087466 /nfs/dbraw/zinc/08/74/66/1080087466.db2.gz YOQCKUUQNPMGHN-VHSSKADRSA-N 1 2 409.508 0.488 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000671870992 1080087455 /nfs/dbraw/zinc/08/74/55/1080087455.db2.gz YOQCKUUQNPMGHN-VHSSKADRSA-N 1 2 409.508 0.488 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000671871293 1080087145 /nfs/dbraw/zinc/08/71/45/1080087145.db2.gz QQQLJYHOJRGXIQ-DOPJRALCSA-N 1 2 424.523 0.243 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000671871293 1080087138 /nfs/dbraw/zinc/08/71/38/1080087138.db2.gz QQQLJYHOJRGXIQ-DOPJRALCSA-N 1 2 424.523 0.243 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000671871294 1080087114 /nfs/dbraw/zinc/08/71/14/1080087114.db2.gz QQQLJYHOJRGXIQ-KKXDTOCCSA-N 1 2 424.523 0.243 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000671871294 1080087104 /nfs/dbraw/zinc/08/71/04/1080087104.db2.gz QQQLJYHOJRGXIQ-KKXDTOCCSA-N 1 2 424.523 0.243 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000671871295 1080087003 /nfs/dbraw/zinc/08/70/03/1080087003.db2.gz QQQLJYHOJRGXIQ-MORSLUCNSA-N 1 2 424.523 0.243 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000671871295 1080086996 /nfs/dbraw/zinc/08/69/96/1080086996.db2.gz QQQLJYHOJRGXIQ-MORSLUCNSA-N 1 2 424.523 0.243 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000671871296 1080086760 /nfs/dbraw/zinc/08/67/60/1080086760.db2.gz QQQLJYHOJRGXIQ-VHSSKADRSA-N 1 2 424.523 0.243 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000671871296 1080086742 /nfs/dbraw/zinc/08/67/42/1080086742.db2.gz QQQLJYHOJRGXIQ-VHSSKADRSA-N 1 2 424.523 0.243 20 0 HCADLO CC(=O)Nc1ccc(CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000671876573 1080097146 /nfs/dbraw/zinc/09/71/46/1080097146.db2.gz DIWFKXDSBDWNDT-IBGZPJMESA-N 1 2 402.495 0.627 20 0 HCADLO CC(=O)Nc1ccc(CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000671876574 1080097054 /nfs/dbraw/zinc/09/70/54/1080097054.db2.gz DIWFKXDSBDWNDT-LJQANCHMSA-N 1 2 402.495 0.627 20 0 HCADLO O=C(NCc1ccc(OCC2CC2)nc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671884467 1080105164 /nfs/dbraw/zinc/10/51/64/1080105164.db2.gz MQDMOGVCRKNXOA-GOSISDBHSA-N 1 2 402.495 0.810 20 0 HCADLO O=C(NCc1ccc(OCC2CC2)nc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671884468 1080105110 /nfs/dbraw/zinc/10/51/10/1080105110.db2.gz MQDMOGVCRKNXOA-SFHVURJKSA-N 1 2 402.495 0.810 20 0 HCADLO O=C(NCc1ccc2c(c1)OCCCO2)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671899789 1080117895 /nfs/dbraw/zinc/11/78/95/1080117895.db2.gz KLWQOWHQRAWIAX-KRWDZBQOSA-N 1 2 403.479 0.787 20 0 HCADLO O=C(NCc1ccc2c(c1)OCCCO2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671899790 1080117847 /nfs/dbraw/zinc/11/78/47/1080117847.db2.gz KLWQOWHQRAWIAX-QGZVFWFLSA-N 1 2 403.479 0.787 20 0 HCADLO O=C(NC1CCN(CC(F)F)CC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000671909365 1080134659 /nfs/dbraw/zinc/13/46/59/1080134659.db2.gz VXWZWMUZTSJUIK-INIZCTEOSA-N 1 2 402.486 0.545 20 0 HCADLO O=C(NC1CCN(CC(F)F)CC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000671909366 1080134363 /nfs/dbraw/zinc/13/43/63/1080134363.db2.gz VXWZWMUZTSJUIK-MRXNPFEDSA-N 1 2 402.486 0.545 20 0 HCADLO O=C(NC1CCN(CC(F)F)CC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000671909858 1080123466 /nfs/dbraw/zinc/12/34/66/1080123466.db2.gz MRKDZPAWBULJFF-CVEARBPZSA-N 1 2 402.486 0.592 20 0 HCADLO O=C(NC1CCN(CC(F)F)CC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000671909859 1080122762 /nfs/dbraw/zinc/12/27/62/1080122762.db2.gz MRKDZPAWBULJFF-HOTGVXAUSA-N 1 2 402.486 0.592 20 0 HCADLO O=C(NC1CCN(CC(F)F)CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000671909860 1080123368 /nfs/dbraw/zinc/12/33/68/1080123368.db2.gz MRKDZPAWBULJFF-HZPDHXFCSA-N 1 2 402.486 0.592 20 0 HCADLO O=C(NC1CCN(CC(F)F)CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000671909861 1080122703 /nfs/dbraw/zinc/12/27/03/1080122703.db2.gz MRKDZPAWBULJFF-JKSUJKDBSA-N 1 2 402.486 0.592 20 0 HCADLO COc1cccc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000671916862 1080136586 /nfs/dbraw/zinc/13/65/86/1080136586.db2.gz WFLPYUTWYQHJEU-INIZCTEOSA-N 1 2 412.494 0.428 20 0 HCADLO COc1cccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000671916866 1080136462 /nfs/dbraw/zinc/13/64/62/1080136462.db2.gz WFLPYUTWYQHJEU-MRXNPFEDSA-N 1 2 412.494 0.428 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2cccc(OC)n2)CC1 ZINC000671920042 1080140989 /nfs/dbraw/zinc/14/09/89/1080140989.db2.gz TXMKPJPPYGAWOI-UHFFFAOYSA-N 1 2 405.499 0.109 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2cccc(OC)n2)CC1 ZINC000671920042 1080140986 /nfs/dbraw/zinc/14/09/86/1080140986.db2.gz TXMKPJPPYGAWOI-UHFFFAOYSA-N 1 2 405.499 0.109 20 0 HCADLO O=C(COCC(=O)NCc1c[nH+]c2n1CCCC2)NCc1cnc2n1CCCC2 ZINC000671922272 1080141980 /nfs/dbraw/zinc/14/19/80/1080141980.db2.gz NWWPKKYTDQOBNH-UHFFFAOYSA-N 1 2 400.483 0.701 20 0 HCADLO COc1ccccc1C(C)(C)CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000671922508 1080140901 /nfs/dbraw/zinc/14/09/01/1080140901.db2.gz JMXRTULFMCCONN-INIZCTEOSA-N 1 2 407.511 0.241 20 0 HCADLO COc1ccccc1C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000671922516 1080140924 /nfs/dbraw/zinc/14/09/24/1080140924.db2.gz JMXRTULFMCCONN-MRXNPFEDSA-N 1 2 407.511 0.241 20 0 HCADLO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000671925439 1080142767 /nfs/dbraw/zinc/14/27/67/1080142767.db2.gz DYIONCYFKWPOEG-KRWDZBQOSA-N 1 2 416.503 0.638 20 0 HCADLO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000671925440 1080142806 /nfs/dbraw/zinc/14/28/06/1080142806.db2.gz DYIONCYFKWPOEG-QGZVFWFLSA-N 1 2 416.503 0.638 20 0 HCADLO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000671925516 1080142875 /nfs/dbraw/zinc/14/28/75/1080142875.db2.gz INAOTHFNPWJIGD-GOSISDBHSA-N 1 2 423.535 0.171 20 0 HCADLO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000671925517 1080143227 /nfs/dbraw/zinc/14/32/27/1080143227.db2.gz INAOTHFNPWJIGD-SFHVURJKSA-N 1 2 423.535 0.171 20 0 HCADLO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000671926058 1080144247 /nfs/dbraw/zinc/14/42/47/1080144247.db2.gz ZFKDNCNLGFJANH-KRWDZBQOSA-N 1 2 404.492 0.908 20 0 HCADLO CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000671926059 1080144912 /nfs/dbraw/zinc/14/49/12/1080144912.db2.gz ZFKDNCNLGFJANH-QGZVFWFLSA-N 1 2 404.492 0.908 20 0 HCADLO C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000671933777 1080151507 /nfs/dbraw/zinc/15/15/07/1080151507.db2.gz NDBGCRIDDOSJNZ-HKUYNNGSSA-N 1 2 400.523 0.877 20 0 HCADLO C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000671933778 1080151336 /nfs/dbraw/zinc/15/13/36/1080151336.db2.gz NDBGCRIDDOSJNZ-IEBWSBKVSA-N 1 2 400.523 0.877 20 0 HCADLO C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000671933779 1080151630 /nfs/dbraw/zinc/15/16/30/1080151630.db2.gz NDBGCRIDDOSJNZ-MJGOQNOKSA-N 1 2 400.523 0.877 20 0 HCADLO C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000671933780 1080151536 /nfs/dbraw/zinc/15/15/36/1080151536.db2.gz NDBGCRIDDOSJNZ-PKOBYXMFSA-N 1 2 400.523 0.877 20 0 HCADLO C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671937712 1080157609 /nfs/dbraw/zinc/15/76/09/1080157609.db2.gz DWFGBNDDIDGWOS-HKUYNNGSSA-N 1 2 400.523 0.877 20 0 HCADLO C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671937713 1080156903 /nfs/dbraw/zinc/15/69/03/1080156903.db2.gz DWFGBNDDIDGWOS-IEBWSBKVSA-N 1 2 400.523 0.877 20 0 HCADLO C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671937714 1080157015 /nfs/dbraw/zinc/15/70/15/1080157015.db2.gz DWFGBNDDIDGWOS-MJGOQNOKSA-N 1 2 400.523 0.877 20 0 HCADLO C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671937715 1080157521 /nfs/dbraw/zinc/15/75/21/1080157521.db2.gz DWFGBNDDIDGWOS-PKOBYXMFSA-N 1 2 400.523 0.877 20 0 HCADLO O=C(NCCN1CCCc2ccccc21)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671944216 1080148173 /nfs/dbraw/zinc/14/81/73/1080148173.db2.gz TYYWHRSSPNVOCO-IBGZPJMESA-N 1 2 400.523 0.879 20 0 HCADLO O=C(NCCN1CCCc2ccccc21)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671944217 1080147579 /nfs/dbraw/zinc/14/75/79/1080147579.db2.gz TYYWHRSSPNVOCO-LJQANCHMSA-N 1 2 400.523 0.879 20 0 HCADLO O=C(NCC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671949223 1080176173 /nfs/dbraw/zinc/17/61/73/1080176173.db2.gz KPFMXZABSCYCNY-IBGZPJMESA-N 1 2 424.505 0.512 20 0 HCADLO O=C(NCC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671949225 1080175169 /nfs/dbraw/zinc/17/51/69/1080175169.db2.gz KPFMXZABSCYCNY-LJQANCHMSA-N 1 2 424.505 0.512 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000671949526 1080174188 /nfs/dbraw/zinc/17/41/88/1080174188.db2.gz BSIKCKFHVVCAIL-MSOLQXFVSA-N 1 2 407.474 0.694 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000671949529 1080174145 /nfs/dbraw/zinc/17/41/45/1080174145.db2.gz BSIKCKFHVVCAIL-QZTJIDSGSA-N 1 2 407.474 0.694 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000671949530 1080175252 /nfs/dbraw/zinc/17/52/52/1080175252.db2.gz BSIKCKFHVVCAIL-ROUUACIJSA-N 1 2 407.474 0.694 20 0 HCADLO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671949532 1080175380 /nfs/dbraw/zinc/17/53/80/1080175380.db2.gz BSIKCKFHVVCAIL-ZWKOTPCHSA-N 1 2 407.474 0.694 20 0 HCADLO O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671949829 1080174317 /nfs/dbraw/zinc/17/43/17/1080174317.db2.gz HCJOQQIEVFKMFG-MOPGFXCFSA-N 1 2 414.506 0.227 20 0 HCADLO O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671949831 1080174093 /nfs/dbraw/zinc/17/40/93/1080174093.db2.gz HCJOQQIEVFKMFG-OALUTQOASA-N 1 2 414.506 0.227 20 0 HCADLO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671949833 1080174264 /nfs/dbraw/zinc/17/42/64/1080174264.db2.gz HCJOQQIEVFKMFG-RBUKOAKNSA-N 1 2 414.506 0.227 20 0 HCADLO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671949835 1080174077 /nfs/dbraw/zinc/17/40/77/1080174077.db2.gz HCJOQQIEVFKMFG-RTBURBONSA-N 1 2 414.506 0.227 20 0 HCADLO O=C(CCNC(=O)C(=O)NCc1cscn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671955538 1080161756 /nfs/dbraw/zinc/16/17/56/1080161756.db2.gz RACVBGYJVYKBGD-UHFFFAOYSA-N 1 2 402.480 0.009 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCc2ccc(C)nc2)CC1 ZINC000671968978 1080184407 /nfs/dbraw/zinc/18/44/07/1080184407.db2.gz HCDHGFKLNVSNGQ-UHFFFAOYSA-N 1 2 403.527 0.451 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCc2ccc(C)nc2)CC1 ZINC000671968978 1080184403 /nfs/dbraw/zinc/18/44/03/1080184403.db2.gz HCDHGFKLNVSNGQ-UHFFFAOYSA-N 1 2 403.527 0.451 20 0 HCADLO COc1ccc(COCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000671975650 1080185252 /nfs/dbraw/zinc/18/52/52/1080185252.db2.gz BDRDSYXPNBRHEW-IBGZPJMESA-N 1 2 405.495 0.651 20 0 HCADLO COc1ccc(COCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000671975651 1080185548 /nfs/dbraw/zinc/18/55/48/1080185548.db2.gz BDRDSYXPNBRHEW-LJQANCHMSA-N 1 2 405.495 0.651 20 0 HCADLO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000671977922 1080189128 /nfs/dbraw/zinc/18/91/28/1080189128.db2.gz FZELLECRDDXPPV-CDXJDZJCSA-N 1 2 405.495 0.002 20 0 HCADLO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000671977922 1080189121 /nfs/dbraw/zinc/18/91/21/1080189121.db2.gz FZELLECRDDXPPV-CDXJDZJCSA-N 1 2 405.495 0.002 20 0 HCADLO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000671977923 1080189022 /nfs/dbraw/zinc/18/90/22/1080189022.db2.gz FZELLECRDDXPPV-DJPFJPOOSA-N 1 2 405.495 0.002 20 0 HCADLO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000671977923 1080189015 /nfs/dbraw/zinc/18/90/15/1080189015.db2.gz FZELLECRDDXPPV-DJPFJPOOSA-N 1 2 405.495 0.002 20 0 HCADLO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000671977924 1080188967 /nfs/dbraw/zinc/18/89/67/1080188967.db2.gz FZELLECRDDXPPV-MDKPJZGXSA-N 1 2 405.495 0.002 20 0 HCADLO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000671977924 1080188958 /nfs/dbraw/zinc/18/89/58/1080188958.db2.gz FZELLECRDDXPPV-MDKPJZGXSA-N 1 2 405.495 0.002 20 0 HCADLO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000671977925 1080189210 /nfs/dbraw/zinc/18/92/10/1080189210.db2.gz FZELLECRDDXPPV-YRISNDGFSA-N 1 2 405.495 0.002 20 0 HCADLO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000671977925 1080189201 /nfs/dbraw/zinc/18/92/01/1080189201.db2.gz FZELLECRDDXPPV-YRISNDGFSA-N 1 2 405.495 0.002 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000671994500 1080203930 /nfs/dbraw/zinc/20/39/30/1080203930.db2.gz HSZCGUURGJIJFN-IBGZPJMESA-N 1 2 412.465 0.904 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000671994500 1080203924 /nfs/dbraw/zinc/20/39/24/1080203924.db2.gz HSZCGUURGJIJFN-IBGZPJMESA-N 1 2 412.465 0.904 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000671994501 1080204496 /nfs/dbraw/zinc/20/44/96/1080204496.db2.gz HSZCGUURGJIJFN-LJQANCHMSA-N 1 2 412.465 0.904 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000671994501 1080204487 /nfs/dbraw/zinc/20/44/87/1080204487.db2.gz HSZCGUURGJIJFN-LJQANCHMSA-N 1 2 412.465 0.904 20 0 HCADLO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671994541 1080204755 /nfs/dbraw/zinc/20/47/55/1080204755.db2.gz QIGJVPSYBACCML-KRWDZBQOSA-N 1 2 413.453 0.391 20 0 HCADLO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671994542 1080204668 /nfs/dbraw/zinc/20/46/68/1080204668.db2.gz QIGJVPSYBACCML-QGZVFWFLSA-N 1 2 413.453 0.391 20 0 HCADLO CC(C)(C)CN(CCO)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995133 1080210341 /nfs/dbraw/zinc/21/03/41/1080210341.db2.gz BHLYKDPQPBKKTI-UHFFFAOYSA-N 1 2 419.526 0.104 20 0 HCADLO C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995188 1080210323 /nfs/dbraw/zinc/21/03/23/1080210323.db2.gz IYZWOTRTCGONTI-DLBZAZTESA-N 1 2 401.511 0.884 20 0 HCADLO C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000671995190 1080210480 /nfs/dbraw/zinc/21/04/80/1080210480.db2.gz IYZWOTRTCGONTI-IAGOWNOFSA-N 1 2 401.511 0.884 20 0 HCADLO C[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000671995191 1080210285 /nfs/dbraw/zinc/21/02/85/1080210285.db2.gz IYZWOTRTCGONTI-IRXDYDNUSA-N 1 2 401.511 0.884 20 0 HCADLO C[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000671995193 1080210577 /nfs/dbraw/zinc/21/05/77/1080210577.db2.gz IYZWOTRTCGONTI-SJORKVTESA-N 1 2 401.511 0.884 20 0 HCADLO CCO[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000671995237 1080209392 /nfs/dbraw/zinc/20/93/92/1080209392.db2.gz KEWBSWNYWQKWJV-KRWDZBQOSA-N 1 2 417.510 0.264 20 0 HCADLO CCO[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000671995251 1080208703 /nfs/dbraw/zinc/20/87/03/1080208703.db2.gz KEWBSWNYWQKWJV-QGZVFWFLSA-N 1 2 417.510 0.264 20 0 HCADLO Cc1ccc(CN(C)C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000671995273 1080208621 /nfs/dbraw/zinc/20/86/21/1080208621.db2.gz KRGVPQLAFZSHJF-UHFFFAOYSA-N 1 2 424.505 0.599 20 0 HCADLO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671995295 1080208972 /nfs/dbraw/zinc/20/89/72/1080208972.db2.gz OEACJNSLDVEQFD-KRWDZBQOSA-N 1 2 401.442 0.661 20 0 HCADLO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671995296 1080208876 /nfs/dbraw/zinc/20/88/76/1080208876.db2.gz OEACJNSLDVEQFD-QGZVFWFLSA-N 1 2 401.442 0.661 20 0 HCADLO Cc1ccncc1[C@H](C)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995325 1080210078 /nfs/dbraw/zinc/21/00/78/1080210078.db2.gz OGCDKINUEFDKNS-KRWDZBQOSA-N 1 2 424.505 0.817 20 0 HCADLO Cc1ccncc1[C@@H](C)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995330 1080209954 /nfs/dbraw/zinc/20/99/54/1080209954.db2.gz OGCDKINUEFDKNS-QGZVFWFLSA-N 1 2 424.505 0.817 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000671995384 1080207939 /nfs/dbraw/zinc/20/79/39/1080207939.db2.gz PDMFVOMDSMBPKR-CRAIPNDOSA-N 1 2 415.469 0.907 20 0 HCADLO C[C@H]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000671995385 1080208127 /nfs/dbraw/zinc/20/81/27/1080208127.db2.gz PDMFVOMDSMBPKR-MAUKXSAKSA-N 1 2 415.469 0.907 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000671995386 1080208225 /nfs/dbraw/zinc/20/82/25/1080208225.db2.gz PDMFVOMDSMBPKR-QAPCUYQASA-N 1 2 415.469 0.907 20 0 HCADLO C[C@H]1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000671995387 1080208067 /nfs/dbraw/zinc/20/80/67/1080208067.db2.gz PDMFVOMDSMBPKR-YJBOKZPZSA-N 1 2 415.469 0.907 20 0 HCADLO CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995476 1080209641 /nfs/dbraw/zinc/20/96/41/1080209641.db2.gz XOTKANAEACPOMA-KRWDZBQOSA-N 1 2 417.510 0.122 20 0 HCADLO CCN(C[C@H]1CCOC1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995485 1080209589 /nfs/dbraw/zinc/20/95/89/1080209589.db2.gz XOTKANAEACPOMA-QGZVFWFLSA-N 1 2 417.510 0.122 20 0 HCADLO CCc1ccnc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000671995542 1080208997 /nfs/dbraw/zinc/20/89/97/1080208997.db2.gz YXJJSMHDXLJHAH-UHFFFAOYSA-N 1 2 424.505 0.510 20 0 HCADLO C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCO1 ZINC000671998097 1080214841 /nfs/dbraw/zinc/21/48/41/1080214841.db2.gz OYPAGAWURDEMTQ-DLBZAZTESA-N 1 2 417.510 0.310 20 0 HCADLO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCO1 ZINC000671998099 1080214817 /nfs/dbraw/zinc/21/48/17/1080214817.db2.gz OYPAGAWURDEMTQ-IAGOWNOFSA-N 1 2 417.510 0.310 20 0 HCADLO C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCO1 ZINC000671998101 1080214984 /nfs/dbraw/zinc/21/49/84/1080214984.db2.gz OYPAGAWURDEMTQ-IRXDYDNUSA-N 1 2 417.510 0.310 20 0 HCADLO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCO1 ZINC000671998102 1080215014 /nfs/dbraw/zinc/21/50/14/1080215014.db2.gz OYPAGAWURDEMTQ-SJORKVTESA-N 1 2 417.510 0.310 20 0 HCADLO O=C(CCNC(=O)C(=O)NCc1ccc(F)cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998111 1080215504 /nfs/dbraw/zinc/21/55/04/1080215504.db2.gz QDGVXVURJOKNIT-UHFFFAOYSA-N 1 2 414.441 0.087 20 0 HCADLO CC[C@H]1CCC[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998113 1080215286 /nfs/dbraw/zinc/21/52/86/1080215286.db2.gz QJZUSYBAQGBSDO-DLBZAZTESA-N 1 2 401.511 0.931 20 0 HCADLO CC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998114 1080215256 /nfs/dbraw/zinc/21/52/56/1080215256.db2.gz QJZUSYBAQGBSDO-IAGOWNOFSA-N 1 2 401.511 0.931 20 0 HCADLO CC[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998115 1080215454 /nfs/dbraw/zinc/21/54/54/1080215454.db2.gz QJZUSYBAQGBSDO-IRXDYDNUSA-N 1 2 401.511 0.931 20 0 HCADLO CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998116 1080215570 /nfs/dbraw/zinc/21/55/70/1080215570.db2.gz QJZUSYBAQGBSDO-SJORKVTESA-N 1 2 401.511 0.931 20 0 HCADLO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998132 1080215350 /nfs/dbraw/zinc/21/53/50/1080215350.db2.gz SMXSZTLAUSOXMN-DLBZAZTESA-N 1 2 417.510 0.168 20 0 HCADLO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998134 1080216782 /nfs/dbraw/zinc/21/67/82/1080216782.db2.gz SMXSZTLAUSOXMN-IAGOWNOFSA-N 1 2 417.510 0.168 20 0 HCADLO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998136 1080217149 /nfs/dbraw/zinc/21/71/49/1080217149.db2.gz SMXSZTLAUSOXMN-IRXDYDNUSA-N 1 2 417.510 0.168 20 0 HCADLO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998137 1080217279 /nfs/dbraw/zinc/21/72/79/1080217279.db2.gz SMXSZTLAUSOXMN-SJORKVTESA-N 1 2 417.510 0.168 20 0 HCADLO Cc1cccc(CCNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000671998138 1080217200 /nfs/dbraw/zinc/21/72/00/1080217200.db2.gz SNCUFNQKNBEORB-UHFFFAOYSA-N 1 2 424.505 0.299 20 0 HCADLO CN(Cc1ccccn1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998156 1080217221 /nfs/dbraw/zinc/21/72/21/1080217221.db2.gz ULDXCPQGSHZCGQ-UHFFFAOYSA-N 1 2 410.478 0.290 20 0 HCADLO CN(CCOC(C)(C)C)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998182 1080217314 /nfs/dbraw/zinc/21/73/14/1080217314.db2.gz WXFPRDSREGYJFQ-UHFFFAOYSA-N 1 2 419.526 0.510 20 0 HCADLO CCN(Cc1ccoc1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998183 1080217070 /nfs/dbraw/zinc/21/70/70/1080217070.db2.gz XLKKWCCYXQZWGM-UHFFFAOYSA-N 1 2 413.478 0.878 20 0 HCADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCNC(=O)c2cnccn2)c1C ZINC000672001695 1080221408 /nfs/dbraw/zinc/22/14/08/1080221408.db2.gz WNROFRLFKCIFSH-UHFFFAOYSA-N 1 2 400.439 0.002 20 0 HCADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000672004846 1080225452 /nfs/dbraw/zinc/22/54/52/1080225452.db2.gz MUCTZAOBEZAASN-UHFFFAOYSA-N 1 2 414.300 0.865 20 0 HCADLO CC(C)[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1nnc2ccccn21 ZINC000672024122 1080249538 /nfs/dbraw/zinc/24/95/38/1080249538.db2.gz XUPJOINAAZTFKH-AEFFLSMTSA-N 1 2 414.510 0.866 20 0 HCADLO CC(C)[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1nnc2ccccn21 ZINC000672024123 1080249696 /nfs/dbraw/zinc/24/96/96/1080249696.db2.gz XUPJOINAAZTFKH-FUHWJXTLSA-N 1 2 414.510 0.866 20 0 HCADLO CC(C)[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1nnc2ccccn21 ZINC000672024124 1080249679 /nfs/dbraw/zinc/24/96/79/1080249679.db2.gz XUPJOINAAZTFKH-SJLPKXTDSA-N 1 2 414.510 0.866 20 0 HCADLO CC(C)[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1nnc2ccccn21 ZINC000672024125 1080249574 /nfs/dbraw/zinc/24/95/74/1080249574.db2.gz XUPJOINAAZTFKH-WMZOPIPTSA-N 1 2 414.510 0.866 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000672025022 1080252595 /nfs/dbraw/zinc/25/25/95/1080252595.db2.gz INNMRVHNYPAJBD-DLBZAZTESA-N 1 2 418.542 0.895 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000672025023 1080252516 /nfs/dbraw/zinc/25/25/16/1080252516.db2.gz INNMRVHNYPAJBD-IAGOWNOFSA-N 1 2 418.542 0.895 20 0 HCADLO CC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000672025024 1080252387 /nfs/dbraw/zinc/25/23/87/1080252387.db2.gz INNMRVHNYPAJBD-IRXDYDNUSA-N 1 2 418.542 0.895 20 0 HCADLO CC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000672025025 1080252683 /nfs/dbraw/zinc/25/26/83/1080252683.db2.gz INNMRVHNYPAJBD-SJORKVTESA-N 1 2 418.542 0.895 20 0 HCADLO O=C(NCCc1ccn(-c2ccccc2)n1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672028558 1080251861 /nfs/dbraw/zinc/25/18/61/1080251861.db2.gz FAWJTZFWCUGEAU-FQEVSTJZSA-N 1 2 411.506 0.854 20 0 HCADLO O=C(NCCc1ccn(-c2ccccc2)n1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672028559 1080251756 /nfs/dbraw/zinc/25/17/56/1080251756.db2.gz FAWJTZFWCUGEAU-HXUWFJFHSA-N 1 2 411.506 0.854 20 0 HCADLO COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000672041849 1080276346 /nfs/dbraw/zinc/27/63/46/1080276346.db2.gz MEKKOIHRKPBROI-FXAWDEMLSA-N 1 2 416.522 0.713 20 0 HCADLO COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000672041850 1080276367 /nfs/dbraw/zinc/27/63/67/1080276367.db2.gz MEKKOIHRKPBROI-PXNSSMCTSA-N 1 2 416.522 0.713 20 0 HCADLO COc1cccc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000672041851 1080276507 /nfs/dbraw/zinc/27/65/07/1080276507.db2.gz MEKKOIHRKPBROI-XLIONFOSSA-N 1 2 416.522 0.713 20 0 HCADLO COc1cccc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000672041852 1080276415 /nfs/dbraw/zinc/27/64/15/1080276415.db2.gz MEKKOIHRKPBROI-YLJYHZDGSA-N 1 2 416.522 0.713 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000672057429 1080302231 /nfs/dbraw/zinc/30/22/31/1080302231.db2.gz IKHZAJUWYDIIBN-FCGDIQPGSA-N 1 2 422.570 0.946 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000672057430 1080302213 /nfs/dbraw/zinc/30/22/13/1080302213.db2.gz IKHZAJUWYDIIBN-HCXYKTFWSA-N 1 2 422.570 0.946 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000672057431 1080302114 /nfs/dbraw/zinc/30/21/14/1080302114.db2.gz IKHZAJUWYDIIBN-XWSJACJDSA-N 1 2 422.570 0.946 20 0 HCADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000672057432 1080302182 /nfs/dbraw/zinc/30/21/82/1080302182.db2.gz IKHZAJUWYDIIBN-YDZRNGNQSA-N 1 2 422.570 0.946 20 0 HCADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672062142 1080323569 /nfs/dbraw/zinc/32/35/69/1080323569.db2.gz PYPFLOZFJFNSIC-UHFFFAOYSA-N 1 2 423.517 0.543 20 0 HCADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672062372 1080323416 /nfs/dbraw/zinc/32/34/16/1080323416.db2.gz RFRICXFOXDILGM-GOSISDBHSA-N 1 2 411.462 0.274 20 0 HCADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672062390 1080322712 /nfs/dbraw/zinc/32/27/12/1080322712.db2.gz VGXAVMOOKNXWLW-IBGZPJMESA-N 1 2 409.490 0.502 20 0 HCADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000672062390 1080322706 /nfs/dbraw/zinc/32/27/06/1080322706.db2.gz VGXAVMOOKNXWLW-IBGZPJMESA-N 1 2 409.490 0.502 20 0 HCADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672062391 1080322525 /nfs/dbraw/zinc/32/25/25/1080322525.db2.gz VGXAVMOOKNXWLW-LJQANCHMSA-N 1 2 409.490 0.502 20 0 HCADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000672062391 1080322513 /nfs/dbraw/zinc/32/25/13/1080322513.db2.gz VGXAVMOOKNXWLW-LJQANCHMSA-N 1 2 409.490 0.502 20 0 HCADLO Cc1cc(Cl)ccc1S(=O)(=O)NCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000672086789 1080360828 /nfs/dbraw/zinc/36/08/28/1080360828.db2.gz IKPUHWDXGTVBRI-ZDUSSCGKSA-N 1 2 411.871 0.813 20 0 HCADLO Cc1cc(Cl)ccc1S(=O)(=O)NCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000672086789 1080360820 /nfs/dbraw/zinc/36/08/20/1080360820.db2.gz IKPUHWDXGTVBRI-ZDUSSCGKSA-N 1 2 411.871 0.813 20 0 HCADLO O=C(Cn1ccc2cc(N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)ccc21)N1CCOCC1 ZINC000672093099 1080370139 /nfs/dbraw/zinc/37/01/39/1080370139.db2.gz PZKUTFPVEZRYDD-KRWDZBQOSA-N 1 2 422.445 0.891 20 0 HCADLO COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000672144663 1080427866 /nfs/dbraw/zinc/42/78/66/1080427866.db2.gz CYXOFMAUBCTVHP-CYBMUJFWSA-N 1 2 408.480 0.700 20 0 HCADLO COc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000672144664 1080428005 /nfs/dbraw/zinc/42/80/05/1080428005.db2.gz CYXOFMAUBCTVHP-ZDUSSCGKSA-N 1 2 408.480 0.700 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000672144928 1080428152 /nfs/dbraw/zinc/42/81/52/1080428152.db2.gz NIGVXYUMCKGPOJ-CYBMUJFWSA-N 1 2 405.480 0.112 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000672144929 1080427911 /nfs/dbraw/zinc/42/79/11/1080427911.db2.gz NIGVXYUMCKGPOJ-ZDUSSCGKSA-N 1 2 405.480 0.112 20 0 HCADLO Cc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000672144966 1080427932 /nfs/dbraw/zinc/42/79/32/1080427932.db2.gz QEOMIHKQHWDWEU-INIZCTEOSA-N 1 2 404.492 0.957 20 0 HCADLO Cc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000672144967 1080428195 /nfs/dbraw/zinc/42/81/95/1080428195.db2.gz QEOMIHKQHWDWEU-MRXNPFEDSA-N 1 2 404.492 0.957 20 0 HCADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145850 1080430317 /nfs/dbraw/zinc/43/03/17/1080430317.db2.gz UBEDKQKEZBTWLH-MUIFIZLQSA-N 1 2 408.524 0.424 20 0 HCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000672145851 1080430067 /nfs/dbraw/zinc/43/00/67/1080430067.db2.gz UBEDKQKEZBTWLH-SRABZTEZSA-N 1 2 408.524 0.424 20 0 HCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000672145852 1080430206 /nfs/dbraw/zinc/43/02/06/1080430206.db2.gz UBEDKQKEZBTWLH-WTTBNOFXSA-N 1 2 408.524 0.424 20 0 HCADLO O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145853 1080430981 /nfs/dbraw/zinc/43/09/81/1080430981.db2.gz UBEDKQKEZBTWLH-YALNPMBYSA-N 1 2 408.524 0.424 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146446 1080433189 /nfs/dbraw/zinc/43/31/89/1080433189.db2.gz MBHKNARZAOKKMR-KBPBESRZSA-N 1 2 420.491 0.842 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146447 1080433038 /nfs/dbraw/zinc/43/30/38/1080433038.db2.gz MBHKNARZAOKKMR-UONOGXRCSA-N 1 2 420.491 0.842 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146494 1080433088 /nfs/dbraw/zinc/43/30/88/1080433088.db2.gz NIAADZWZWXFOFZ-AWEZNQCLSA-N 1 2 420.491 0.657 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146495 1080432999 /nfs/dbraw/zinc/43/29/99/1080432999.db2.gz NIAADZWZWXFOFZ-CQSZACIVSA-N 1 2 420.491 0.657 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCc4c[nH+]cn4C3)CC2)cc1 ZINC000672148379 1080434538 /nfs/dbraw/zinc/43/45/38/1080434538.db2.gz MWTPFEDFSRVJHW-KRWDZBQOSA-N 1 2 417.535 0.629 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCc4c[nH+]cn4C3)CC2)cc1 ZINC000672148380 1080434603 /nfs/dbraw/zinc/43/46/03/1080434603.db2.gz MWTPFEDFSRVJHW-QGZVFWFLSA-N 1 2 417.535 0.629 20 0 HCADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672148619 1080434682 /nfs/dbraw/zinc/43/46/82/1080434682.db2.gz SULINQFWSHHSCO-JOQOYGCGSA-N 1 2 420.491 0.147 20 0 HCADLO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672148620 1080434485 /nfs/dbraw/zinc/43/44/85/1080434485.db2.gz SULINQFWSHHSCO-SIIHOXLZSA-N 1 2 420.491 0.147 20 0 HCADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672148621 1080434636 /nfs/dbraw/zinc/43/46/36/1080434636.db2.gz SULINQFWSHHSCO-XUWXXGDYSA-N 1 2 420.491 0.147 20 0 HCADLO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672148622 1080434995 /nfs/dbraw/zinc/43/49/95/1080434995.db2.gz SULINQFWSHHSCO-YEWWUXTCSA-N 1 2 420.491 0.147 20 0 HCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000672148931 1080433653 /nfs/dbraw/zinc/43/36/53/1080433653.db2.gz APFLHGAKNCZDNF-KBXCAEBGSA-N 1 2 408.462 0.864 20 0 HCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000672148932 1080433806 /nfs/dbraw/zinc/43/38/06/1080433806.db2.gz APFLHGAKNCZDNF-KDOFPFPSSA-N 1 2 408.462 0.864 20 0 HCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000672148933 1080434033 /nfs/dbraw/zinc/43/40/33/1080434033.db2.gz APFLHGAKNCZDNF-KSSFIOAISA-N 1 2 408.462 0.864 20 0 HCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000672148934 1080435021 /nfs/dbraw/zinc/43/50/21/1080435021.db2.gz APFLHGAKNCZDNF-RDTXWAMCSA-N 1 2 408.462 0.864 20 0 HCADLO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149784 1080434894 /nfs/dbraw/zinc/43/48/94/1080434894.db2.gz XNXYRESVSUMANE-KRWDZBQOSA-N 1 2 418.519 0.968 20 0 HCADLO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672149785 1080434576 /nfs/dbraw/zinc/43/45/76/1080434576.db2.gz XNXYRESVSUMANE-QGZVFWFLSA-N 1 2 418.519 0.968 20 0 HCADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H]3CCc4c[nH+]cn4C3)CC2)c1 ZINC000672150153 1080443401 /nfs/dbraw/zinc/44/34/01/1080443401.db2.gz HPBLKLSNIHHLGR-KRWDZBQOSA-N 1 2 417.535 0.775 20 0 HCADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@H]3CCc4c[nH+]cn4C3)CC2)c1 ZINC000672150154 1080443271 /nfs/dbraw/zinc/44/32/71/1080443271.db2.gz HPBLKLSNIHHLGR-QGZVFWFLSA-N 1 2 417.535 0.775 20 0 HCADLO COc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000672150710 1080440268 /nfs/dbraw/zinc/44/02/68/1080440268.db2.gz GYZQHUBFIMQEOF-HNNXBMFYSA-N 1 2 420.491 0.657 20 0 HCADLO COc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000672150712 1080440648 /nfs/dbraw/zinc/44/06/48/1080440648.db2.gz GYZQHUBFIMQEOF-OAHLLOKOSA-N 1 2 420.491 0.657 20 0 HCADLO O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672150717 1080440341 /nfs/dbraw/zinc/44/03/41/1080440341.db2.gz HFFLIYCVYGACSC-AWEZNQCLSA-N 1 2 420.491 0.844 20 0 HCADLO O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672150719 1080440392 /nfs/dbraw/zinc/44/03/92/1080440392.db2.gz HFFLIYCVYGACSC-CQSZACIVSA-N 1 2 420.491 0.844 20 0 HCADLO O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672151259 1080446349 /nfs/dbraw/zinc/44/63/49/1080446349.db2.gz WJIIAFJUTXXWRG-AWEZNQCLSA-N 1 2 420.491 0.844 20 0 HCADLO O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672151260 1080445853 /nfs/dbraw/zinc/44/58/53/1080445853.db2.gz WJIIAFJUTXXWRG-CQSZACIVSA-N 1 2 420.491 0.844 20 0 HCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000672151370 1080444928 /nfs/dbraw/zinc/44/49/28/1080444928.db2.gz QJPHSFAOIWBBSM-LXZKKBNFSA-N 1 2 408.455 0.277 20 0 HCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000672151371 1080445405 /nfs/dbraw/zinc/44/54/05/1080445405.db2.gz QJPHSFAOIWBBSM-UNEWFSDZSA-N 1 2 408.455 0.277 20 0 HCADLO CC(=O)N[C@](C)(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000672151446 1080443479 /nfs/dbraw/zinc/44/34/79/1080443479.db2.gz SQNFQKPDPYZJSP-BEFAXECRSA-N 1 2 404.492 0.769 20 0 HCADLO CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000672151448 1080443300 /nfs/dbraw/zinc/44/33/00/1080443300.db2.gz SQNFQKPDPYZJSP-DNVCBOLYSA-N 1 2 404.492 0.769 20 0 HCADLO CC(=O)N[C@@](C)(C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000672151450 1080443194 /nfs/dbraw/zinc/44/31/94/1080443194.db2.gz SQNFQKPDPYZJSP-HNAYVOBHSA-N 1 2 404.492 0.769 20 0 HCADLO CC(=O)N[C@](C)(C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000672151451 1080443245 /nfs/dbraw/zinc/44/32/45/1080443245.db2.gz SQNFQKPDPYZJSP-KXBFYZLASA-N 1 2 404.492 0.769 20 0 HCADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672152252 1080448833 /nfs/dbraw/zinc/44/88/33/1080448833.db2.gz IJMRUBXXFXOWEL-HNNXBMFYSA-N 1 2 406.512 0.755 20 0 HCADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672152253 1080449191 /nfs/dbraw/zinc/44/91/91/1080449191.db2.gz IJMRUBXXFXOWEL-OAHLLOKOSA-N 1 2 406.512 0.755 20 0 HCADLO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672152534 1080450928 /nfs/dbraw/zinc/45/09/28/1080450928.db2.gz JUNBDXJOSWMOCY-CYBMUJFWSA-N 1 2 410.521 0.639 20 0 HCADLO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672152535 1080450786 /nfs/dbraw/zinc/45/07/86/1080450786.db2.gz JUNBDXJOSWMOCY-ZDUSSCGKSA-N 1 2 410.521 0.639 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153616 1080452412 /nfs/dbraw/zinc/45/24/12/1080452412.db2.gz ZFZUJNXSIUWEIP-HNNXBMFYSA-N 1 2 404.492 0.957 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153617 1080452499 /nfs/dbraw/zinc/45/24/99/1080452499.db2.gz ZFZUJNXSIUWEIP-OAHLLOKOSA-N 1 2 404.492 0.957 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000672153695 1080454198 /nfs/dbraw/zinc/45/41/98/1080454198.db2.gz AYRHBGYAQVJCMZ-AWEZNQCLSA-N 1 2 407.496 0.207 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000672153696 1080454237 /nfs/dbraw/zinc/45/42/37/1080454237.db2.gz AYRHBGYAQVJCMZ-CQSZACIVSA-N 1 2 407.496 0.207 20 0 HCADLO Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1C ZINC000672153900 1080454261 /nfs/dbraw/zinc/45/42/61/1080454261.db2.gz FAOCMXATKNAQSN-AYBZRNKSSA-N 1 2 418.519 0.755 20 0 HCADLO Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1C ZINC000672153901 1080454181 /nfs/dbraw/zinc/45/41/81/1080454181.db2.gz FAOCMXATKNAQSN-IEZWGBDMSA-N 1 2 418.519 0.755 20 0 HCADLO Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1C ZINC000672153902 1080454076 /nfs/dbraw/zinc/45/40/76/1080454076.db2.gz FAOCMXATKNAQSN-SUMDDJOVSA-N 1 2 418.519 0.755 20 0 HCADLO Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1C ZINC000672153903 1080454214 /nfs/dbraw/zinc/45/42/14/1080454214.db2.gz FAOCMXATKNAQSN-WDYCEAGBSA-N 1 2 418.519 0.755 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672154287 1080457881 /nfs/dbraw/zinc/45/78/81/1080457881.db2.gz KEVBHEPNBRBLDB-HNNXBMFYSA-N 1 2 405.480 0.593 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672154288 1080457582 /nfs/dbraw/zinc/45/75/82/1080457582.db2.gz KEVBHEPNBRBLDB-OAHLLOKOSA-N 1 2 405.480 0.593 20 0 HCADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@@H]3CCc4c[nH+]cn4C3)CC2=O)c1 ZINC000672155078 1080455086 /nfs/dbraw/zinc/45/50/86/1080455086.db2.gz QTCKAROVMWZUBR-CHWSQXEVSA-N 1 2 403.464 0.015 20 0 HCADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@H]3CCc4c[nH+]cn4C3)CC2=O)c1 ZINC000672155084 1080460334 /nfs/dbraw/zinc/46/03/34/1080460334.db2.gz QTCKAROVMWZUBR-OLZOCXBDSA-N 1 2 403.464 0.015 20 0 HCADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H]3CCc4c[nH+]cn4C3)CC2=O)c1 ZINC000672155086 1080460085 /nfs/dbraw/zinc/46/00/85/1080460085.db2.gz QTCKAROVMWZUBR-QWHCGFSZSA-N 1 2 403.464 0.015 20 0 HCADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N[C@H]3CCc4c[nH+]cn4C3)CC2=O)c1 ZINC000672155088 1080460216 /nfs/dbraw/zinc/46/02/16/1080460216.db2.gz QTCKAROVMWZUBR-STQMWFEESA-N 1 2 403.464 0.015 20 0 HCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000672156505 1080461255 /nfs/dbraw/zinc/46/12/55/1080461255.db2.gz PXMKGLUWUPFMFJ-KMFMINBZSA-N 1 2 424.910 0.792 20 0 HCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000672156511 1080461186 /nfs/dbraw/zinc/46/11/86/1080461186.db2.gz PXMKGLUWUPFMFJ-LXZKKBNFSA-N 1 2 424.910 0.792 20 0 HCADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000672156513 1080461024 /nfs/dbraw/zinc/46/10/24/1080461024.db2.gz PXMKGLUWUPFMFJ-QRTARXTBSA-N 1 2 424.910 0.792 20 0 HCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000672156515 1080461179 /nfs/dbraw/zinc/46/11/79/1080461179.db2.gz PXMKGLUWUPFMFJ-UNEWFSDZSA-N 1 2 424.910 0.792 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672156693 1080460117 /nfs/dbraw/zinc/46/01/17/1080460117.db2.gz SHXVAYTXRKKVTC-SWLSCSKDSA-N 1 2 405.480 0.640 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672156695 1080461243 /nfs/dbraw/zinc/46/12/43/1080461243.db2.gz SHXVAYTXRKKVTC-WFASDCNBSA-N 1 2 405.480 0.640 20 0 HCADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672156798 1080461229 /nfs/dbraw/zinc/46/12/29/1080461229.db2.gz QWBFITYFQRINGF-CABCVRRESA-N 1 2 406.512 0.755 20 0 HCADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672156800 1080461169 /nfs/dbraw/zinc/46/11/69/1080461169.db2.gz QWBFITYFQRINGF-GJZGRUSLSA-N 1 2 406.512 0.755 20 0 HCADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672156802 1080461075 /nfs/dbraw/zinc/46/10/75/1080461075.db2.gz QWBFITYFQRINGF-HUUCEWRRSA-N 1 2 406.512 0.755 20 0 HCADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672156803 1080461198 /nfs/dbraw/zinc/46/11/98/1080461198.db2.gz QWBFITYFQRINGF-LSDHHAIUSA-N 1 2 406.512 0.755 20 0 HCADLO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000672195116 1080497771 /nfs/dbraw/zinc/49/77/71/1080497771.db2.gz QTTLOOCNKITDQM-GDBMZVCRSA-N 1 2 419.507 0.832 20 0 HCADLO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000672195117 1080498023 /nfs/dbraw/zinc/49/80/23/1080498023.db2.gz QTTLOOCNKITDQM-GOEBONIOSA-N 1 2 419.507 0.832 20 0 HCADLO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000672195118 1080497800 /nfs/dbraw/zinc/49/78/00/1080497800.db2.gz QTTLOOCNKITDQM-HOCLYGCPSA-N 1 2 419.507 0.832 20 0 HCADLO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000672195119 1080498268 /nfs/dbraw/zinc/49/82/68/1080498268.db2.gz QTTLOOCNKITDQM-ZBFHGGJFSA-N 1 2 419.507 0.832 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000672206195 1080505969 /nfs/dbraw/zinc/50/59/69/1080505969.db2.gz OXKPMQBKRLWBFL-HNNXBMFYSA-N 1 2 424.567 0.222 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000672206196 1080505770 /nfs/dbraw/zinc/50/57/70/1080505770.db2.gz OXKPMQBKRLWBFL-OAHLLOKOSA-N 1 2 424.567 0.222 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(S(N)(=O)=O)c1 ZINC000672207716 1080507040 /nfs/dbraw/zinc/50/70/40/1080507040.db2.gz ZOIPTTCCFBRUJQ-CYBMUJFWSA-N 1 2 413.525 0.622 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c(S(N)(=O)=O)c1 ZINC000672207717 1080506494 /nfs/dbraw/zinc/50/64/94/1080506494.db2.gz ZOIPTTCCFBRUJQ-ZDUSSCGKSA-N 1 2 413.525 0.622 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000672209490 1080504406 /nfs/dbraw/zinc/50/44/06/1080504406.db2.gz LWMUMKSDJSZADI-CORIIIEPSA-N 1 2 400.501 0.280 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000672209492 1080504805 /nfs/dbraw/zinc/50/48/05/1080504805.db2.gz LWMUMKSDJSZADI-OSAQELSMSA-N 1 2 400.501 0.280 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000672209494 1080504448 /nfs/dbraw/zinc/50/44/48/1080504448.db2.gz LWMUMKSDJSZADI-WHOFXGATSA-N 1 2 400.501 0.280 20 0 HCADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000672209495 1080504844 /nfs/dbraw/zinc/50/48/44/1080504844.db2.gz LWMUMKSDJSZADI-ZLDLUXBVSA-N 1 2 400.501 0.280 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000672210227 1080504776 /nfs/dbraw/zinc/50/47/76/1080504776.db2.gz YUIGOBLGAOMYOG-MPGHIAIKSA-N 1 2 423.535 0.878 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000672210228 1080504356 /nfs/dbraw/zinc/50/43/56/1080504356.db2.gz YUIGOBLGAOMYOG-RLFYNMQTSA-N 1 2 423.535 0.878 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000672210229 1080504617 /nfs/dbraw/zinc/50/46/17/1080504617.db2.gz YUIGOBLGAOMYOG-RVKKMQEKSA-N 1 2 423.535 0.878 20 0 HCADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000672210230 1080504702 /nfs/dbraw/zinc/50/47/02/1080504702.db2.gz YUIGOBLGAOMYOG-VKJFTORMSA-N 1 2 423.535 0.878 20 0 HCADLO COc1c[nH+]c(NCC(C)(C)S(C)(=O)=O)nc1NCC(C)(C)S(C)(=O)=O ZINC000672230574 1080515039 /nfs/dbraw/zinc/51/50/39/1080515039.db2.gz ASLGVKBZBDLKEG-UHFFFAOYSA-N 1 2 408.546 0.955 20 0 HCADLO O=C(NCc1nccn1CC(F)(F)F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672241048 1080520297 /nfs/dbraw/zinc/52/02/97/1080520297.db2.gz JCTBUNLBPKPZTQ-CYBMUJFWSA-N 1 2 403.405 0.385 20 0 HCADLO O=C(NCc1nccn1CC(F)(F)F)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672241049 1080520122 /nfs/dbraw/zinc/52/01/22/1080520122.db2.gz JCTBUNLBPKPZTQ-ZDUSSCGKSA-N 1 2 403.405 0.385 20 0 HCADLO CCNc1nc(N2CCC(N3CCS(=O)(=O)CC3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000672253513 1080531836 /nfs/dbraw/zinc/53/18/36/1080531836.db2.gz LVRUBUSAUAVNON-UHFFFAOYSA-N 1 2 411.576 0.635 20 0 HCADLO C[C@@H]1C(=O)N(C)CCN1c1nc(NC(C)(C)C)nc(N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC000672255478 1080531693 /nfs/dbraw/zinc/53/16/93/1080531693.db2.gz QOPSBGPMBTYFKL-CHWSQXEVSA-N 1 2 404.519 0.416 20 0 HCADLO C[C@@H]1C(=O)N(C)CCN1c1nc(NC(C)(C)C)[nH+]c(N2CCN(C)C(=O)[C@H]2C)n1 ZINC000672255478 1080531679 /nfs/dbraw/zinc/53/16/79/1080531679.db2.gz QOPSBGPMBTYFKL-CHWSQXEVSA-N 1 2 404.519 0.416 20 0 HCADLO C[C@H]1C(=O)N(C)CCN1c1nc(NC(C)(C)C)nc(N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000672255479 1080531786 /nfs/dbraw/zinc/53/17/86/1080531786.db2.gz QOPSBGPMBTYFKL-STQMWFEESA-N 1 2 404.519 0.416 20 0 HCADLO C[C@H]1C(=O)N(C)CCN1c1nc(NC(C)(C)C)[nH+]c(N2CCN(C)C(=O)[C@@H]2C)n1 ZINC000672255479 1080531770 /nfs/dbraw/zinc/53/17/70/1080531770.db2.gz QOPSBGPMBTYFKL-STQMWFEESA-N 1 2 404.519 0.416 20 0 HCADLO COc1ccccc1OCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672257572 1080532982 /nfs/dbraw/zinc/53/29/82/1080532982.db2.gz CIDPPNTYMBBNIX-KRWDZBQOSA-N 1 2 405.495 0.904 20 0 HCADLO COc1ccccc1OCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672257573 1080533192 /nfs/dbraw/zinc/53/31/92/1080533192.db2.gz CIDPPNTYMBBNIX-QGZVFWFLSA-N 1 2 405.495 0.904 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000672266000 1080536433 /nfs/dbraw/zinc/53/64/33/1080536433.db2.gz FUUFRTPGUCSBLW-HLLBOEOZSA-N 1 2 405.495 0.683 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000672266000 1080536424 /nfs/dbraw/zinc/53/64/24/1080536424.db2.gz FUUFRTPGUCSBLW-HLLBOEOZSA-N 1 2 405.495 0.683 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000672266001 1080536680 /nfs/dbraw/zinc/53/66/80/1080536680.db2.gz FUUFRTPGUCSBLW-UXLLHSPISA-N 1 2 405.495 0.683 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000672266001 1080536667 /nfs/dbraw/zinc/53/66/67/1080536667.db2.gz FUUFRTPGUCSBLW-UXLLHSPISA-N 1 2 405.495 0.683 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000672266981 1080537181 /nfs/dbraw/zinc/53/71/81/1080537181.db2.gz YXWCZRDLOWETLH-DLBZAZTESA-N 1 2 403.479 0.438 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000672266982 1080537295 /nfs/dbraw/zinc/53/72/95/1080537295.db2.gz YXWCZRDLOWETLH-IAGOWNOFSA-N 1 2 403.479 0.438 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000672266983 1080537014 /nfs/dbraw/zinc/53/70/14/1080537014.db2.gz YXWCZRDLOWETLH-IRXDYDNUSA-N 1 2 403.479 0.438 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000672266984 1080537068 /nfs/dbraw/zinc/53/70/68/1080537068.db2.gz YXWCZRDLOWETLH-SJORKVTESA-N 1 2 403.479 0.438 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)C2 ZINC000672267188 1080537122 /nfs/dbraw/zinc/53/71/22/1080537122.db2.gz NMKXYBRBWFWNND-KRWDZBQOSA-N 1 2 405.495 0.684 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)C2 ZINC000672267189 1080536947 /nfs/dbraw/zinc/53/69/47/1080536947.db2.gz NMKXYBRBWFWNND-QGZVFWFLSA-N 1 2 405.495 0.684 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)C2 ZINC000672269579 1080543716 /nfs/dbraw/zinc/54/37/16/1080543716.db2.gz UWUGVPBPSPUCCC-INIZCTEOSA-N 1 2 411.462 0.562 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)C2 ZINC000672269580 1080544193 /nfs/dbraw/zinc/54/41/93/1080544193.db2.gz UWUGVPBPSPUCCC-MRXNPFEDSA-N 1 2 411.462 0.562 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000672269583 1080544124 /nfs/dbraw/zinc/54/41/24/1080544124.db2.gz VAAAVOJQHSSHAE-MSOLQXFVSA-N 1 2 417.506 0.828 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000672269584 1080544154 /nfs/dbraw/zinc/54/41/54/1080544154.db2.gz VAAAVOJQHSSHAE-QZTJIDSGSA-N 1 2 417.506 0.828 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000672269585 1080543984 /nfs/dbraw/zinc/54/39/84/1080543984.db2.gz VAAAVOJQHSSHAE-ROUUACIJSA-N 1 2 417.506 0.828 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000672269586 1080544053 /nfs/dbraw/zinc/54/40/53/1080544053.db2.gz VAAAVOJQHSSHAE-ZWKOTPCHSA-N 1 2 417.506 0.828 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C2 ZINC000672269978 1080542911 /nfs/dbraw/zinc/54/29/11/1080542911.db2.gz FQARYQWFGIJQBB-FGTMMUONSA-N 1 2 417.506 0.875 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C2 ZINC000672269979 1080542751 /nfs/dbraw/zinc/54/27/51/1080542751.db2.gz FQARYQWFGIJQBB-KURKYZTESA-N 1 2 417.506 0.875 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C2 ZINC000672269980 1080542791 /nfs/dbraw/zinc/54/27/91/1080542791.db2.gz FQARYQWFGIJQBB-KZNAEPCWSA-N 1 2 417.506 0.875 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C2 ZINC000672269981 1080543045 /nfs/dbraw/zinc/54/30/45/1080543045.db2.gz FQARYQWFGIJQBB-SQNIBIBYSA-N 1 2 417.506 0.875 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C2 ZINC000672270070 1080542384 /nfs/dbraw/zinc/54/23/84/1080542384.db2.gz IFEFDIMWVHHZSF-INIZCTEOSA-N 1 2 405.495 0.684 20 0 HCADLO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C2 ZINC000672270070 1080542377 /nfs/dbraw/zinc/54/23/77/1080542377.db2.gz IFEFDIMWVHHZSF-INIZCTEOSA-N 1 2 405.495 0.684 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C2 ZINC000672270071 1080542778 /nfs/dbraw/zinc/54/27/78/1080542778.db2.gz IFEFDIMWVHHZSF-MRXNPFEDSA-N 1 2 405.495 0.684 20 0 HCADLO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C2 ZINC000672270071 1080542769 /nfs/dbraw/zinc/54/27/69/1080542769.db2.gz IFEFDIMWVHHZSF-MRXNPFEDSA-N 1 2 405.495 0.684 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000672319227 1080564987 /nfs/dbraw/zinc/56/49/87/1080564987.db2.gz DPRDOXRSXGTKOG-FHWLQOOXSA-N 1 2 402.539 0.945 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000672319227 1080564977 /nfs/dbraw/zinc/56/49/77/1080564977.db2.gz DPRDOXRSXGTKOG-FHWLQOOXSA-N 1 2 402.539 0.945 20 0 HCADLO C[C@H]([C@H](C)NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CCOCC1 ZINC000672319228 1080564890 /nfs/dbraw/zinc/56/48/90/1080564890.db2.gz DPRDOXRSXGTKOG-GBESFXJTSA-N 1 2 402.539 0.945 20 0 HCADLO C[C@H]([C@H](C)NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N1CCOCC1 ZINC000672319228 1080564880 /nfs/dbraw/zinc/56/48/80/1080564880.db2.gz DPRDOXRSXGTKOG-GBESFXJTSA-N 1 2 402.539 0.945 20 0 HCADLO O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672340194 1080569258 /nfs/dbraw/zinc/56/92/58/1080569258.db2.gz VPDSFYVOWUMJHL-DLBZAZTESA-N 1 2 422.476 0.983 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672340195 1080569116 /nfs/dbraw/zinc/56/91/16/1080569116.db2.gz VPDSFYVOWUMJHL-IAGOWNOFSA-N 1 2 422.476 0.983 20 0 HCADLO O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672340196 1080569180 /nfs/dbraw/zinc/56/91/80/1080569180.db2.gz VPDSFYVOWUMJHL-IRXDYDNUSA-N 1 2 422.476 0.983 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672340197 1080569559 /nfs/dbraw/zinc/56/95/59/1080569559.db2.gz VPDSFYVOWUMJHL-SJORKVTESA-N 1 2 422.476 0.983 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000672340308 1080570405 /nfs/dbraw/zinc/57/04/05/1080570405.db2.gz KNGBYVHDKLQXCJ-INIZCTEOSA-N 1 2 410.465 0.840 20 0 HCADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000672340309 1080570532 /nfs/dbraw/zinc/57/05/32/1080570532.db2.gz KNGBYVHDKLQXCJ-MRXNPFEDSA-N 1 2 410.465 0.840 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000672346342 1080571638 /nfs/dbraw/zinc/57/16/38/1080571638.db2.gz XHFTZQZPKWFONQ-CRAIPNDOSA-N 1 2 410.540 0.740 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000672346343 1080571346 /nfs/dbraw/zinc/57/13/46/1080571346.db2.gz XHFTZQZPKWFONQ-MAUKXSAKSA-N 1 2 410.540 0.740 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000672346344 1080571382 /nfs/dbraw/zinc/57/13/82/1080571382.db2.gz XHFTZQZPKWFONQ-QAPCUYQASA-N 1 2 410.540 0.740 20 0 HCADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000672346345 1080571616 /nfs/dbraw/zinc/57/16/16/1080571616.db2.gz XHFTZQZPKWFONQ-YJBOKZPZSA-N 1 2 410.540 0.740 20 0 HCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000672354106 1080571042 /nfs/dbraw/zinc/57/10/42/1080571042.db2.gz GWFOWXCOQRZBGC-DOTOQJQBSA-N 1 2 410.540 0.942 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000672354107 1080570896 /nfs/dbraw/zinc/57/08/96/1080570896.db2.gz GWFOWXCOQRZBGC-NVXWUHKLSA-N 1 2 410.540 0.942 20 0 HCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000672354108 1080570940 /nfs/dbraw/zinc/57/09/40/1080570940.db2.gz GWFOWXCOQRZBGC-RDJZCZTQSA-N 1 2 410.540 0.942 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000672354109 1080571476 /nfs/dbraw/zinc/57/14/76/1080571476.db2.gz GWFOWXCOQRZBGC-WBVHZDCISA-N 1 2 410.540 0.942 20 0 HCADLO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000672362923 1080580321 /nfs/dbraw/zinc/58/03/21/1080580321.db2.gz MGPOHBMLNJTNMB-HNNXBMFYSA-N 1 2 420.491 0.645 20 0 HCADLO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000672362924 1080580265 /nfs/dbraw/zinc/58/02/65/1080580265.db2.gz MGPOHBMLNJTNMB-OAHLLOKOSA-N 1 2 420.491 0.645 20 0 HCADLO Cc1cc(N2CCN(C(=O)C(=O)NCCOC[C@H]3CCOC3)CC2)nc(C(C)C)[nH+]1 ZINC000672366931 1080581872 /nfs/dbraw/zinc/58/18/72/1080581872.db2.gz OMMIQPIYMATPEC-KRWDZBQOSA-N 1 2 419.526 0.726 20 0 HCADLO Cc1cc(N2CCN(C(=O)C(=O)NCCOC[C@@H]3CCOC3)CC2)nc(C(C)C)[nH+]1 ZINC000672366937 1080581796 /nfs/dbraw/zinc/58/17/96/1080581796.db2.gz OMMIQPIYMATPEC-QGZVFWFLSA-N 1 2 419.526 0.726 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCOC[C@@H]2CCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000672370922 1080584889 /nfs/dbraw/zinc/58/48/89/1080584889.db2.gz ZSPXMQBLJZCHGH-BVGQSLNGSA-N 1 2 411.449 0.996 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOC[C@@H]2CCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000672370922 1080584880 /nfs/dbraw/zinc/58/48/80/1080584880.db2.gz ZSPXMQBLJZCHGH-BVGQSLNGSA-N 1 2 411.449 0.996 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCOC[C@H]2CCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000672370923 1080585164 /nfs/dbraw/zinc/58/51/64/1080585164.db2.gz ZSPXMQBLJZCHGH-DOPJRALCSA-N 1 2 411.449 0.996 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOC[C@H]2CCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000672370923 1080585154 /nfs/dbraw/zinc/58/51/54/1080585154.db2.gz ZSPXMQBLJZCHGH-DOPJRALCSA-N 1 2 411.449 0.996 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCOC[C@@H]2CCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000672370924 1080585091 /nfs/dbraw/zinc/58/50/91/1080585091.db2.gz ZSPXMQBLJZCHGH-JEBQAFNWSA-N 1 2 411.449 0.996 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOC[C@@H]2CCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000672370924 1080585082 /nfs/dbraw/zinc/58/50/82/1080585082.db2.gz ZSPXMQBLJZCHGH-JEBQAFNWSA-N 1 2 411.449 0.996 20 0 HCADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCOC[C@H]2CCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000672370925 1080584569 /nfs/dbraw/zinc/58/45/69/1080584569.db2.gz ZSPXMQBLJZCHGH-KKXDTOCCSA-N 1 2 411.449 0.996 20 0 HCADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOC[C@H]2CCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000672370925 1080584560 /nfs/dbraw/zinc/58/45/60/1080584560.db2.gz ZSPXMQBLJZCHGH-KKXDTOCCSA-N 1 2 411.449 0.996 20 0 HCADLO CCn1cc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000672378653 1080587830 /nfs/dbraw/zinc/58/78/30/1080587830.db2.gz UPWFNIUTLMGTFI-UHFFFAOYSA-N 1 2 421.527 0.249 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672420800 1080599416 /nfs/dbraw/zinc/59/94/16/1080599416.db2.gz QQFQVEDNKGDHSD-BRWVUGGUSA-N 1 2 401.511 0.869 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672420801 1080599519 /nfs/dbraw/zinc/59/95/19/1080599519.db2.gz QQFQVEDNKGDHSD-IKGGRYGDSA-N 1 2 401.511 0.869 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672420802 1080599451 /nfs/dbraw/zinc/59/94/51/1080599451.db2.gz QQFQVEDNKGDHSD-IXDOHACOSA-N 1 2 401.511 0.869 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672420803 1080599325 /nfs/dbraw/zinc/59/93/25/1080599325.db2.gz QQFQVEDNKGDHSD-ZACQAIPSSA-N 1 2 401.511 0.869 20 0 HCADLO Cc1cccn2cc(CCNC(=O)N[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)[nH+]c12 ZINC000672449028 1080607730 /nfs/dbraw/zinc/60/77/30/1080607730.db2.gz GADJTBYZUVLQEU-OAHLLOKOSA-N 1 2 408.528 0.755 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000672455079 1080620802 /nfs/dbraw/zinc/62/08/02/1080620802.db2.gz CZAGQCFPOBYOIP-HNNXBMFYSA-N 1 2 410.478 0.610 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000672455080 1080620836 /nfs/dbraw/zinc/62/08/36/1080620836.db2.gz CZAGQCFPOBYOIP-OAHLLOKOSA-N 1 2 410.478 0.610 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456153 1080622733 /nfs/dbraw/zinc/62/27/33/1080622733.db2.gz KAPJLBKXHIJZGP-APWZRJJASA-N 1 2 421.501 0.783 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456153 1080622729 /nfs/dbraw/zinc/62/27/29/1080622729.db2.gz KAPJLBKXHIJZGP-APWZRJJASA-N 1 2 421.501 0.783 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456154 1080622713 /nfs/dbraw/zinc/62/27/13/1080622713.db2.gz KAPJLBKXHIJZGP-LPHOPBHVSA-N 1 2 421.501 0.783 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456154 1080622711 /nfs/dbraw/zinc/62/27/11/1080622711.db2.gz KAPJLBKXHIJZGP-LPHOPBHVSA-N 1 2 421.501 0.783 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456155 1080622817 /nfs/dbraw/zinc/62/28/17/1080622817.db2.gz KAPJLBKXHIJZGP-QFBILLFUSA-N 1 2 421.501 0.783 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456155 1080622814 /nfs/dbraw/zinc/62/28/14/1080622814.db2.gz KAPJLBKXHIJZGP-QFBILLFUSA-N 1 2 421.501 0.783 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456156 1080622780 /nfs/dbraw/zinc/62/27/80/1080622780.db2.gz KAPJLBKXHIJZGP-VQIMIIECSA-N 1 2 421.501 0.783 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672456156 1080622775 /nfs/dbraw/zinc/62/27/75/1080622775.db2.gz KAPJLBKXHIJZGP-VQIMIIECSA-N 1 2 421.501 0.783 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000672456357 1080621494 /nfs/dbraw/zinc/62/14/94/1080621494.db2.gz PBMBECDMFQIPSA-HNNXBMFYSA-N 1 2 410.478 0.541 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000672456358 1080621430 /nfs/dbraw/zinc/62/14/30/1080621430.db2.gz PBMBECDMFQIPSA-OAHLLOKOSA-N 1 2 410.478 0.541 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000672456500 1080626656 /nfs/dbraw/zinc/62/66/56/1080626656.db2.gz SWURDBFHWPVLLB-HNNXBMFYSA-N 1 2 406.446 0.445 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000672456501 1080626584 /nfs/dbraw/zinc/62/65/84/1080626584.db2.gz SWURDBFHWPVLLB-OAHLLOKOSA-N 1 2 406.446 0.445 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000672457102 1080625448 /nfs/dbraw/zinc/62/54/48/1080625448.db2.gz PJUUSXXGEMWWNB-CVEARBPZSA-N 1 2 422.489 0.271 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000672457113 1080625382 /nfs/dbraw/zinc/62/53/82/1080625382.db2.gz PJUUSXXGEMWWNB-HOTGVXAUSA-N 1 2 422.489 0.271 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000672457115 1080625492 /nfs/dbraw/zinc/62/54/92/1080625492.db2.gz PJUUSXXGEMWWNB-HZPDHXFCSA-N 1 2 422.489 0.271 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000672457116 1080625420 /nfs/dbraw/zinc/62/54/20/1080625420.db2.gz PJUUSXXGEMWWNB-JKSUJKDBSA-N 1 2 422.489 0.271 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000672457774 1080628629 /nfs/dbraw/zinc/62/86/29/1080628629.db2.gz VGGTYUDOEXJSDX-DOTOQJQBSA-N 1 2 423.473 0.555 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000672457775 1080628785 /nfs/dbraw/zinc/62/87/85/1080628785.db2.gz VGGTYUDOEXJSDX-NVXWUHKLSA-N 1 2 423.473 0.555 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000672458251 1080629549 /nfs/dbraw/zinc/62/95/49/1080629549.db2.gz NRIVTDBPJXUNQR-CABCVRRESA-N 1 2 410.478 0.610 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000672458252 1080629505 /nfs/dbraw/zinc/62/95/05/1080629505.db2.gz NRIVTDBPJXUNQR-GJZGRUSLSA-N 1 2 410.478 0.610 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000672458253 1080629373 /nfs/dbraw/zinc/62/93/73/1080629373.db2.gz NRIVTDBPJXUNQR-HUUCEWRRSA-N 1 2 410.478 0.610 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000672458254 1080629410 /nfs/dbraw/zinc/62/94/10/1080629410.db2.gz NRIVTDBPJXUNQR-LSDHHAIUSA-N 1 2 410.478 0.610 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000672458611 1080612255 /nfs/dbraw/zinc/61/22/55/1080612255.db2.gz ZUZNERDPFUVACQ-HNNXBMFYSA-N 1 2 410.478 0.610 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000672458611 1080612250 /nfs/dbraw/zinc/61/22/50/1080612250.db2.gz ZUZNERDPFUVACQ-HNNXBMFYSA-N 1 2 410.478 0.610 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000672458612 1080612200 /nfs/dbraw/zinc/61/22/00/1080612200.db2.gz ZUZNERDPFUVACQ-OAHLLOKOSA-N 1 2 410.478 0.610 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000672458612 1080612192 /nfs/dbraw/zinc/61/21/92/1080612192.db2.gz ZUZNERDPFUVACQ-OAHLLOKOSA-N 1 2 410.478 0.610 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000672458686 1080611350 /nfs/dbraw/zinc/61/13/50/1080611350.db2.gz DTQJRVORSZHTRU-INIZCTEOSA-N 1 2 422.489 0.224 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000672458687 1080611427 /nfs/dbraw/zinc/61/14/27/1080611427.db2.gz DTQJRVORSZHTRU-MRXNPFEDSA-N 1 2 422.489 0.224 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672459499 1080616520 /nfs/dbraw/zinc/61/65/20/1080616520.db2.gz KLTGDMWALSEFMT-CABCVRRESA-N 1 2 410.478 0.230 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672459500 1080616539 /nfs/dbraw/zinc/61/65/39/1080616539.db2.gz KLTGDMWALSEFMT-GJZGRUSLSA-N 1 2 410.478 0.230 20 0 HCADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672459501 1080616373 /nfs/dbraw/zinc/61/63/73/1080616373.db2.gz KLTGDMWALSEFMT-HUUCEWRRSA-N 1 2 410.478 0.230 20 0 HCADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672459502 1080616458 /nfs/dbraw/zinc/61/64/58/1080616458.db2.gz KLTGDMWALSEFMT-LSDHHAIUSA-N 1 2 410.478 0.230 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000672459687 1080615660 /nfs/dbraw/zinc/61/56/60/1080615660.db2.gz AFDDBGIJAOFSAO-CVEARBPZSA-N 1 2 410.478 0.541 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000672459688 1080616358 /nfs/dbraw/zinc/61/63/58/1080616358.db2.gz AFDDBGIJAOFSAO-HOTGVXAUSA-N 1 2 410.478 0.541 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000672459689 1080616569 /nfs/dbraw/zinc/61/65/69/1080616569.db2.gz AFDDBGIJAOFSAO-HZPDHXFCSA-N 1 2 410.478 0.541 20 0 HCADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000672459691 1080616391 /nfs/dbraw/zinc/61/63/91/1080616391.db2.gz AFDDBGIJAOFSAO-JKSUJKDBSA-N 1 2 410.478 0.541 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000672459860 1080613720 /nfs/dbraw/zinc/61/37/20/1080613720.db2.gz HBVFYFGTFJGCLT-GJYPPUQNSA-N 1 2 424.505 0.787 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000672459862 1080613695 /nfs/dbraw/zinc/61/36/95/1080613695.db2.gz HBVFYFGTFJGCLT-GPMSIDNRSA-N 1 2 424.505 0.787 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000672459864 1080613862 /nfs/dbraw/zinc/61/38/62/1080613862.db2.gz HBVFYFGTFJGCLT-JTDSTZFVSA-N 1 2 424.505 0.787 20 0 HCADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000672459867 1080613808 /nfs/dbraw/zinc/61/38/08/1080613808.db2.gz HBVFYFGTFJGCLT-MDZRGWNJSA-N 1 2 424.505 0.787 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000672459966 1080614187 /nfs/dbraw/zinc/61/41/87/1080614187.db2.gz JECFKKYPQCSINI-CABCVRRESA-N 1 2 416.569 0.779 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000672459966 1080614183 /nfs/dbraw/zinc/61/41/83/1080614183.db2.gz JECFKKYPQCSINI-CABCVRRESA-N 1 2 416.569 0.779 20 0 HCADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000672459967 1080614271 /nfs/dbraw/zinc/61/42/71/1080614271.db2.gz JECFKKYPQCSINI-GJZGRUSLSA-N 1 2 416.569 0.779 20 0 HCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000672459967 1080614268 /nfs/dbraw/zinc/61/42/68/1080614268.db2.gz JECFKKYPQCSINI-GJZGRUSLSA-N 1 2 416.569 0.779 20 0 HCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000672459968 1080614214 /nfs/dbraw/zinc/61/42/14/1080614214.db2.gz JECFKKYPQCSINI-HUUCEWRRSA-N 1 2 416.569 0.779 20 0 HCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000672459968 1080614208 /nfs/dbraw/zinc/61/42/08/1080614208.db2.gz JECFKKYPQCSINI-HUUCEWRRSA-N 1 2 416.569 0.779 20 0 HCADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000672459969 1080614326 /nfs/dbraw/zinc/61/43/26/1080614326.db2.gz JECFKKYPQCSINI-LSDHHAIUSA-N 1 2 416.569 0.779 20 0 HCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000672459969 1080614319 /nfs/dbraw/zinc/61/43/19/1080614319.db2.gz JECFKKYPQCSINI-LSDHHAIUSA-N 1 2 416.569 0.779 20 0 HCADLO CS(=O)(=O)C1(CNC(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000672460582 1080618650 /nfs/dbraw/zinc/61/86/50/1080618650.db2.gz CQJUNGYKTTXPFX-INIZCTEOSA-N 1 2 402.561 0.050 20 0 HCADLO CS(=O)(=O)C1(CNC(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000672460583 1080618677 /nfs/dbraw/zinc/61/86/77/1080618677.db2.gz CQJUNGYKTTXPFX-MRXNPFEDSA-N 1 2 402.561 0.050 20 0 HCADLO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)C[C@@H](C)S1(=O)=O ZINC000672460849 1080617798 /nfs/dbraw/zinc/61/77/98/1080617798.db2.gz XJQRJYLEFHDTEC-BRWVUGGUSA-N 1 2 402.561 0.000 20 0 HCADLO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)C[C@H](C)S1(=O)=O ZINC000672460850 1080617840 /nfs/dbraw/zinc/61/78/40/1080617840.db2.gz XJQRJYLEFHDTEC-GVDBMIGSSA-N 1 2 402.561 0.000 20 0 HCADLO CC[C@@H]1CN(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)C[C@@H](C)S1(=O)=O ZINC000672460851 1080617966 /nfs/dbraw/zinc/61/79/66/1080617966.db2.gz XJQRJYLEFHDTEC-IXDOHACOSA-N 1 2 402.561 0.000 20 0 HCADLO CC[C@@H]1CN(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)C[C@H](C)S1(=O)=O ZINC000672460852 1080617874 /nfs/dbraw/zinc/61/78/74/1080617874.db2.gz XJQRJYLEFHDTEC-YESZJQIVSA-N 1 2 402.561 0.000 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000672470434 1080632855 /nfs/dbraw/zinc/63/28/55/1080632855.db2.gz YNCFSYMICYKMLQ-CABCVRRESA-N 1 2 416.569 0.873 20 0 HCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000672470436 1080632884 /nfs/dbraw/zinc/63/28/84/1080632884.db2.gz YNCFSYMICYKMLQ-GJZGRUSLSA-N 1 2 416.569 0.873 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000672470437 1080632799 /nfs/dbraw/zinc/63/27/99/1080632799.db2.gz YNCFSYMICYKMLQ-HUUCEWRRSA-N 1 2 416.569 0.873 20 0 HCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000672470438 1080633001 /nfs/dbraw/zinc/63/30/01/1080633001.db2.gz YNCFSYMICYKMLQ-LSDHHAIUSA-N 1 2 416.569 0.873 20 0 HCADLO CN(C)S(=O)(=O)C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000672471773 1080633811 /nfs/dbraw/zinc/63/38/11/1080633811.db2.gz VTBKPXCJZMLMGP-NEPJUHHUSA-N 1 2 409.434 0.782 20 0 HCADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000672471774 1080633779 /nfs/dbraw/zinc/63/37/79/1080633779.db2.gz VTBKPXCJZMLMGP-NWDGAFQWSA-N 1 2 409.434 0.782 20 0 HCADLO CN(C)S(=O)(=O)C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000672471775 1080633619 /nfs/dbraw/zinc/63/36/19/1080633619.db2.gz VTBKPXCJZMLMGP-RYUDHWBXSA-N 1 2 409.434 0.782 20 0 HCADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000672471776 1080633684 /nfs/dbraw/zinc/63/36/84/1080633684.db2.gz VTBKPXCJZMLMGP-VXGBXAGGSA-N 1 2 409.434 0.782 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1)S(C)(=O)=O ZINC000672509232 1080643196 /nfs/dbraw/zinc/64/31/96/1080643196.db2.gz JBCMUINICJXPAA-UHFFFAOYSA-N 1 2 419.507 0.828 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1)S(C)(=O)=O ZINC000672509451 1080643990 /nfs/dbraw/zinc/64/39/90/1080643990.db2.gz HGFHRBHAAMVVFJ-UHFFFAOYSA-N 1 2 415.475 0.663 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1)S(C)(=O)=O ZINC000672509637 1080646822 /nfs/dbraw/zinc/64/68/22/1080646822.db2.gz KMNUGJXMXCNJJW-UHFFFAOYSA-N 1 2 419.507 0.759 20 0 HCADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672510047 1080645425 /nfs/dbraw/zinc/64/54/25/1080645425.db2.gz UHSCLBICHRPLAQ-UHFFFAOYSA-N 1 2 407.496 0.444 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1)S(C)(=O)=O ZINC000672510851 1080648963 /nfs/dbraw/zinc/64/89/63/1080648963.db2.gz CIUWOMDWTACJOG-UHFFFAOYSA-N 1 2 419.507 0.828 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1)S(C)(=O)=O ZINC000672510851 1080648962 /nfs/dbraw/zinc/64/89/62/1080648962.db2.gz CIUWOMDWTACJOG-UHFFFAOYSA-N 1 2 419.507 0.828 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1)S(C)(=O)=O ZINC000672511050 1080648822 /nfs/dbraw/zinc/64/88/22/1080648822.db2.gz NGBVNVRTOZORGL-HNNXBMFYSA-N 1 2 419.507 0.828 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1)S(C)(=O)=O ZINC000672511051 1080648931 /nfs/dbraw/zinc/64/89/31/1080648931.db2.gz NGBVNVRTOZORGL-OAHLLOKOSA-N 1 2 419.507 0.828 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1)S(C)(=O)=O ZINC000672511448 1080655409 /nfs/dbraw/zinc/65/54/09/1080655409.db2.gz INFSUUXSSMNKTE-HNNXBMFYSA-N 1 2 419.507 0.448 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1)S(C)(=O)=O ZINC000672511449 1080655349 /nfs/dbraw/zinc/65/53/49/1080655349.db2.gz INFSUUXSSMNKTE-OAHLLOKOSA-N 1 2 419.507 0.448 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1)S(C)(=O)=O ZINC000672511875 1080653322 /nfs/dbraw/zinc/65/33/22/1080653322.db2.gz WSNNYXDALBSFCB-KRWDZBQOSA-N 1 2 419.507 0.759 20 0 HCADLO CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1)S(C)(=O)=O ZINC000672511876 1080653349 /nfs/dbraw/zinc/65/33/49/1080653349.db2.gz WSNNYXDALBSFCB-QGZVFWFLSA-N 1 2 419.507 0.759 20 0 HCADLO O=C(N[C@H]1CCN(c2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672528638 1080666564 /nfs/dbraw/zinc/66/65/64/1080666564.db2.gz JDPXZXZNTNXOSC-MSOLQXFVSA-N 1 2 400.479 0.231 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672528639 1080666622 /nfs/dbraw/zinc/66/66/22/1080666622.db2.gz JDPXZXZNTNXOSC-QZTJIDSGSA-N 1 2 400.479 0.231 20 0 HCADLO O=C(N[C@H]1CCN(c2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672528640 1080666600 /nfs/dbraw/zinc/66/66/00/1080666600.db2.gz JDPXZXZNTNXOSC-ROUUACIJSA-N 1 2 400.479 0.231 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672528641 1080666437 /nfs/dbraw/zinc/66/64/37/1080666437.db2.gz JDPXZXZNTNXOSC-ZWKOTPCHSA-N 1 2 400.479 0.231 20 0 HCADLO Cn1ccc(CNC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000672534203 1080676331 /nfs/dbraw/zinc/67/63/31/1080676331.db2.gz RRCUKRVOSZEACF-UHFFFAOYSA-N 1 2 404.902 0.628 20 0 HCADLO Cc1cc(CNC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)[nH]n1 ZINC000672538318 1080678260 /nfs/dbraw/zinc/67/82/60/1080678260.db2.gz ISXKYQQZLPLJHF-UHFFFAOYSA-N 1 2 404.902 0.926 20 0 HCADLO Cc1cc(CNC(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)n[nH]1 ZINC000672541403 1080672474 /nfs/dbraw/zinc/67/24/74/1080672474.db2.gz DWAIKYYBWWAUSG-UHFFFAOYSA-N 1 2 400.483 0.480 20 0 HCADLO COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCc3cc(C)[nH]n3)C2)cc(OC)c1 ZINC000672541910 1080673270 /nfs/dbraw/zinc/67/32/70/1080673270.db2.gz RRZDWCPPSQDDNJ-HNNXBMFYSA-N 1 2 401.467 0.742 20 0 HCADLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cc(C)[nH]n3)C2)cc(OC)c1 ZINC000672541910 1080673256 /nfs/dbraw/zinc/67/32/56/1080673256.db2.gz RRZDWCPPSQDDNJ-HNNXBMFYSA-N 1 2 401.467 0.742 20 0 HCADLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cc(C)[nH]n3)C2)cc(OC)c1 ZINC000672541915 1080673437 /nfs/dbraw/zinc/67/34/37/1080673437.db2.gz RRZDWCPPSQDDNJ-OAHLLOKOSA-N 1 2 401.467 0.742 20 0 HCADLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cc(C)[nH]n3)C2)cc(OC)c1 ZINC000672541915 1080673431 /nfs/dbraw/zinc/67/34/31/1080673431.db2.gz RRZDWCPPSQDDNJ-OAHLLOKOSA-N 1 2 401.467 0.742 20 0 HCADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CCC(=O)N1C1CC1 ZINC000672551406 1080683173 /nfs/dbraw/zinc/68/31/73/1080683173.db2.gz YWQIXGHABDROQC-DLVXIWMQSA-N 1 2 416.526 0.729 20 0 HCADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CCC(=O)N1C1CC1 ZINC000672551406 1080683165 /nfs/dbraw/zinc/68/31/65/1080683165.db2.gz YWQIXGHABDROQC-DLVXIWMQSA-N 1 2 416.526 0.729 20 0 HCADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCC(=O)N1C1CC1 ZINC000672551407 1080683038 /nfs/dbraw/zinc/68/30/38/1080683038.db2.gz YWQIXGHABDROQC-HGKSCXNLSA-N 1 2 416.526 0.729 20 0 HCADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCC(=O)N1C1CC1 ZINC000672551407 1080683033 /nfs/dbraw/zinc/68/30/33/1080683033.db2.gz YWQIXGHABDROQC-HGKSCXNLSA-N 1 2 416.526 0.729 20 0 HCADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCC(=O)N1C1CC1 ZINC000672551408 1080683149 /nfs/dbraw/zinc/68/31/49/1080683149.db2.gz YWQIXGHABDROQC-MJKGWSOKSA-N 1 2 416.526 0.729 20 0 HCADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCC(=O)N1C1CC1 ZINC000672551408 1080683143 /nfs/dbraw/zinc/68/31/43/1080683143.db2.gz YWQIXGHABDROQC-MJKGWSOKSA-N 1 2 416.526 0.729 20 0 HCADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCC(=O)N1C1CC1 ZINC000672551409 1080682931 /nfs/dbraw/zinc/68/29/31/1080682931.db2.gz YWQIXGHABDROQC-PHXBYCTMSA-N 1 2 416.526 0.729 20 0 HCADLO Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCC(=O)N1C1CC1 ZINC000672551409 1080682927 /nfs/dbraw/zinc/68/29/27/1080682927.db2.gz YWQIXGHABDROQC-PHXBYCTMSA-N 1 2 416.526 0.729 20 0 HCADLO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000672553187 1080679108 /nfs/dbraw/zinc/67/91/08/1080679108.db2.gz RANMMTKJHDWNMV-KRWDZBQOSA-N 1 2 410.478 0.325 20 0 HCADLO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000672553188 1080679356 /nfs/dbraw/zinc/67/93/56/1080679356.db2.gz RANMMTKJHDWNMV-QGZVFWFLSA-N 1 2 410.478 0.325 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)C1 ZINC000672553241 1080680091 /nfs/dbraw/zinc/68/00/91/1080680091.db2.gz QFCBDULJMMEHOJ-IBGZPJMESA-N 1 2 409.490 0.837 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)C1 ZINC000672553241 1080680081 /nfs/dbraw/zinc/68/00/81/1080680081.db2.gz QFCBDULJMMEHOJ-IBGZPJMESA-N 1 2 409.490 0.837 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)C1 ZINC000672553242 1080680009 /nfs/dbraw/zinc/68/00/09/1080680009.db2.gz QFCBDULJMMEHOJ-LJQANCHMSA-N 1 2 409.490 0.837 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)C1 ZINC000672553242 1080680000 /nfs/dbraw/zinc/68/00/00/1080680000.db2.gz QFCBDULJMMEHOJ-LJQANCHMSA-N 1 2 409.490 0.837 20 0 HCADLO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672553296 1080684237 /nfs/dbraw/zinc/68/42/37/1080684237.db2.gz HVBCVXZNDQCQEE-UHFFFAOYSA-N 1 2 423.517 0.879 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000672562450 1080686642 /nfs/dbraw/zinc/68/66/42/1080686642.db2.gz BFHCAAVGBYJKON-UHFFFAOYSA-N 1 2 422.493 0.501 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000672564595 1080687389 /nfs/dbraw/zinc/68/73/89/1080687389.db2.gz FQVYHXGNFDGHDY-UHFFFAOYSA-N 1 2 417.554 0.878 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000672564595 1080687380 /nfs/dbraw/zinc/68/73/80/1080687380.db2.gz FQVYHXGNFDGHDY-UHFFFAOYSA-N 1 2 417.554 0.878 20 0 HCADLO CCn1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000672575069 1080690345 /nfs/dbraw/zinc/69/03/45/1080690345.db2.gz AXVNMLFBUSBIKT-UHFFFAOYSA-N 1 2 400.487 0.561 20 0 HCADLO CCn1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000672575069 1080690339 /nfs/dbraw/zinc/69/03/39/1080690339.db2.gz AXVNMLFBUSBIKT-UHFFFAOYSA-N 1 2 400.487 0.561 20 0 HCADLO CCn1cc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000672575578 1080690378 /nfs/dbraw/zinc/69/03/78/1080690378.db2.gz QYVFBBGCMQIODD-KRWDZBQOSA-N 1 2 414.514 0.998 20 0 HCADLO CCn1cc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000672575578 1080690374 /nfs/dbraw/zinc/69/03/74/1080690374.db2.gz QYVFBBGCMQIODD-KRWDZBQOSA-N 1 2 414.514 0.998 20 0 HCADLO CCn1cc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000672575587 1080690403 /nfs/dbraw/zinc/69/04/03/1080690403.db2.gz QYVFBBGCMQIODD-QGZVFWFLSA-N 1 2 414.514 0.998 20 0 HCADLO CCn1cc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000672575587 1080690398 /nfs/dbraw/zinc/69/03/98/1080690398.db2.gz QYVFBBGCMQIODD-QGZVFWFLSA-N 1 2 414.514 0.998 20 0 HCADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000672593122 1080697217 /nfs/dbraw/zinc/69/72/17/1080697217.db2.gz YKCFVACSWCIIAQ-OAHLLOKOSA-N 1 2 415.585 0.846 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672597737 1080703957 /nfs/dbraw/zinc/70/39/57/1080703957.db2.gz DZEBJXKULXGKSA-FGTMMUONSA-N 1 2 401.511 0.536 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672597738 1080704142 /nfs/dbraw/zinc/70/41/42/1080704142.db2.gz DZEBJXKULXGKSA-KURKYZTESA-N 1 2 401.511 0.536 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672597739 1080703983 /nfs/dbraw/zinc/70/39/83/1080703983.db2.gz DZEBJXKULXGKSA-KZNAEPCWSA-N 1 2 401.511 0.536 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672597740 1080703968 /nfs/dbraw/zinc/70/39/68/1080703968.db2.gz DZEBJXKULXGKSA-SQNIBIBYSA-N 1 2 401.511 0.536 20 0 HCADLO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000672597807 1080703875 /nfs/dbraw/zinc/70/38/75/1080703875.db2.gz QALIHHQMLTXOIO-MSOLQXFVSA-N 1 2 416.526 0.193 20 0 HCADLO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000672597808 1080704086 /nfs/dbraw/zinc/70/40/86/1080704086.db2.gz QALIHHQMLTXOIO-QZTJIDSGSA-N 1 2 416.526 0.193 20 0 HCADLO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000672597809 1080703375 /nfs/dbraw/zinc/70/33/75/1080703375.db2.gz QALIHHQMLTXOIO-ROUUACIJSA-N 1 2 416.526 0.193 20 0 HCADLO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000672597810 1080703327 /nfs/dbraw/zinc/70/33/27/1080703327.db2.gz QALIHHQMLTXOIO-ZWKOTPCHSA-N 1 2 416.526 0.193 20 0 HCADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000672597826 1080703828 /nfs/dbraw/zinc/70/38/28/1080703828.db2.gz RZSZHUVEKUIZOO-GUDVDZBRSA-N 1 2 408.543 0.069 20 0 HCADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000672597827 1080704039 /nfs/dbraw/zinc/70/40/39/1080704039.db2.gz RZSZHUVEKUIZOO-IPMKNSEASA-N 1 2 408.543 0.069 20 0 HCADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000672597828 1080704008 /nfs/dbraw/zinc/70/40/08/1080704008.db2.gz RZSZHUVEKUIZOO-OTWHNJEPSA-N 1 2 408.543 0.069 20 0 HCADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000672597829 1080704052 /nfs/dbraw/zinc/70/40/52/1080704052.db2.gz RZSZHUVEKUIZOO-QRVBRYPASA-N 1 2 408.543 0.069 20 0 HCADLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672598110 1080702765 /nfs/dbraw/zinc/70/27/65/1080702765.db2.gz ILHJZCAFYICEGC-BFHYXJOUSA-N 1 2 420.432 0.025 20 0 HCADLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672598111 1080703484 /nfs/dbraw/zinc/70/34/84/1080703484.db2.gz ILHJZCAFYICEGC-MCIONIFRSA-N 1 2 420.432 0.025 20 0 HCADLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672598112 1080703409 /nfs/dbraw/zinc/70/34/09/1080703409.db2.gz ILHJZCAFYICEGC-MGPQQGTHSA-N 1 2 420.432 0.025 20 0 HCADLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672598113 1080703233 /nfs/dbraw/zinc/70/32/33/1080703233.db2.gz ILHJZCAFYICEGC-MJBXVCDLSA-N 1 2 420.432 0.025 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)C2)cn1 ZINC000672598140 1080703531 /nfs/dbraw/zinc/70/35/31/1080703531.db2.gz LMIFXUIWCWQUOM-QXAKKESOSA-N 1 2 418.542 0.265 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)C2)cn1 ZINC000672598141 1080703275 /nfs/dbraw/zinc/70/32/75/1080703275.db2.gz LMIFXUIWCWQUOM-UHOSZYNNSA-N 1 2 418.542 0.265 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)C2)cn1 ZINC000672598142 1080703167 /nfs/dbraw/zinc/70/31/67/1080703167.db2.gz LMIFXUIWCWQUOM-WDSOQIARSA-N 1 2 418.542 0.265 20 0 HCADLO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)C2)cn1 ZINC000672598143 1080703470 /nfs/dbraw/zinc/70/34/70/1080703470.db2.gz LMIFXUIWCWQUOM-YTQUADARSA-N 1 2 418.542 0.265 20 0 HCADLO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000672598156 1080703210 /nfs/dbraw/zinc/70/32/10/1080703210.db2.gz MAEGVNIXUWAPJZ-CBGDNZLLSA-N 1 2 409.527 0.543 20 0 HCADLO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000672598157 1080703392 /nfs/dbraw/zinc/70/33/92/1080703392.db2.gz MAEGVNIXUWAPJZ-LLGFUMIMSA-N 1 2 409.527 0.543 20 0 HCADLO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@]2(CCOC2)O1 ZINC000672598158 1080703310 /nfs/dbraw/zinc/70/33/10/1080703310.db2.gz MAEGVNIXUWAPJZ-LZJOCLMNSA-N 1 2 409.527 0.543 20 0 HCADLO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@]2(CCOC2)O1 ZINC000672598159 1080703515 /nfs/dbraw/zinc/70/35/15/1080703515.db2.gz MAEGVNIXUWAPJZ-WWMYMODYSA-N 1 2 409.527 0.543 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000672598224 1080703427 /nfs/dbraw/zinc/70/34/27/1080703427.db2.gz XQCILOMPSONLDQ-DLBZAZTESA-N 1 2 423.558 0.398 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000672598225 1080703187 /nfs/dbraw/zinc/70/31/87/1080703187.db2.gz XQCILOMPSONLDQ-IAGOWNOFSA-N 1 2 423.558 0.398 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000672598226 1080703293 /nfs/dbraw/zinc/70/32/93/1080703293.db2.gz XQCILOMPSONLDQ-IRXDYDNUSA-N 1 2 423.558 0.398 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000672598227 1080703502 /nfs/dbraw/zinc/70/35/02/1080703502.db2.gz XQCILOMPSONLDQ-SJORKVTESA-N 1 2 423.558 0.398 20 0 HCADLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N(CCO)CCc1ccccc1 ZINC000672598246 1080703259 /nfs/dbraw/zinc/70/32/59/1080703259.db2.gz DXFRBOCSDSHXIL-PMACEKPBSA-N 1 2 403.523 0.810 20 0 HCADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N(CCO)CCc1ccccc1 ZINC000672598247 1080702480 /nfs/dbraw/zinc/70/24/80/1080702480.db2.gz DXFRBOCSDSHXIL-UXHICEINSA-N 1 2 403.523 0.810 20 0 HCADLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N(CCO)CCc1ccccc1 ZINC000672598248 1080702673 /nfs/dbraw/zinc/70/26/73/1080702673.db2.gz DXFRBOCSDSHXIL-VQTJNVASSA-N 1 2 403.523 0.810 20 0 HCADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N(CCO)CCc1ccccc1 ZINC000672598249 1080702571 /nfs/dbraw/zinc/70/25/71/1080702571.db2.gz DXFRBOCSDSHXIL-WOJBJXKFSA-N 1 2 403.523 0.810 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000672598258 1080702627 /nfs/dbraw/zinc/70/26/27/1080702627.db2.gz IDFJUPXPMVONJV-APIJFGDWSA-N 1 2 407.433 0.924 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000672598259 1080702509 /nfs/dbraw/zinc/70/25/09/1080702509.db2.gz IDFJUPXPMVONJV-KBUPBQIOSA-N 1 2 407.433 0.924 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000672598260 1080702643 /nfs/dbraw/zinc/70/26/43/1080702643.db2.gz IDFJUPXPMVONJV-KBXIAJHMSA-N 1 2 407.433 0.924 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000672598261 1080702530 /nfs/dbraw/zinc/70/25/30/1080702530.db2.gz IDFJUPXPMVONJV-TUVASFSCSA-N 1 2 407.433 0.924 20 0 HCADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000672598803 1080704074 /nfs/dbraw/zinc/70/40/74/1080704074.db2.gz RMTPJNYDGXLJGB-MOPGFXCFSA-N 1 2 414.506 0.621 20 0 HCADLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000672598804 1080704121 /nfs/dbraw/zinc/70/41/21/1080704121.db2.gz RMTPJNYDGXLJGB-OALUTQOASA-N 1 2 414.506 0.621 20 0 HCADLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000672598805 1080703994 /nfs/dbraw/zinc/70/39/94/1080703994.db2.gz RMTPJNYDGXLJGB-RBUKOAKNSA-N 1 2 414.506 0.621 20 0 HCADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000672598806 1080703889 /nfs/dbraw/zinc/70/38/89/1080703889.db2.gz RMTPJNYDGXLJGB-RTBURBONSA-N 1 2 414.506 0.621 20 0 HCADLO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672598833 1080703946 /nfs/dbraw/zinc/70/39/46/1080703946.db2.gz XMAQKKCEZAUMMN-CEXWTWQISA-N 1 2 420.554 0.653 20 0 HCADLO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672598834 1080703855 /nfs/dbraw/zinc/70/38/55/1080703855.db2.gz XMAQKKCEZAUMMN-GUDVDZBRSA-N 1 2 420.554 0.653 20 0 HCADLO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672598835 1080704022 /nfs/dbraw/zinc/70/40/22/1080704022.db2.gz XMAQKKCEZAUMMN-QRVBRYPASA-N 1 2 420.554 0.653 20 0 HCADLO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672598836 1080704103 /nfs/dbraw/zinc/70/41/03/1080704103.db2.gz XMAQKKCEZAUMMN-QYZOEREBSA-N 1 2 420.554 0.653 20 0 HCADLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000672616029 1080709708 /nfs/dbraw/zinc/70/97/08/1080709708.db2.gz FTDZREXQEGVZTO-ARFHVFGLSA-N 1 2 411.528 0.878 20 0 HCADLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000672616031 1080709609 /nfs/dbraw/zinc/70/96/09/1080709609.db2.gz FTDZREXQEGVZTO-BZUAXINKSA-N 1 2 411.528 0.878 20 0 HCADLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000672616032 1080709584 /nfs/dbraw/zinc/70/95/84/1080709584.db2.gz FTDZREXQEGVZTO-HRCADAONSA-N 1 2 411.528 0.878 20 0 HCADLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000672616033 1080709656 /nfs/dbraw/zinc/70/96/56/1080709656.db2.gz FTDZREXQEGVZTO-OWCLPIDISA-N 1 2 411.528 0.878 20 0 HCADLO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672628470 1080708677 /nfs/dbraw/zinc/70/86/77/1080708677.db2.gz GSNIVWSXICIGBN-HNNXBMFYSA-N 1 2 412.412 0.610 20 0 HCADLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672628472 1080708446 /nfs/dbraw/zinc/70/84/46/1080708446.db2.gz GSNIVWSXICIGBN-OAHLLOKOSA-N 1 2 412.412 0.610 20 0 HCADLO Cc1cc(CNC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ncn1 ZINC000672632330 1080712015 /nfs/dbraw/zinc/71/20/15/1080712015.db2.gz XHCREFCMIVCVLE-UHFFFAOYSA-N 1 2 416.913 0.993 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000672643713 1080748194 /nfs/dbraw/zinc/74/81/94/1080748194.db2.gz QXBVWASRNXBEHV-GDBMZVCRSA-N 1 2 411.437 0.837 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000672643714 1080748306 /nfs/dbraw/zinc/74/83/06/1080748306.db2.gz QXBVWASRNXBEHV-GOEBONIOSA-N 1 2 411.437 0.837 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000672643715 1080748442 /nfs/dbraw/zinc/74/84/42/1080748442.db2.gz QXBVWASRNXBEHV-HOCLYGCPSA-N 1 2 411.437 0.837 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000672643716 1080748480 /nfs/dbraw/zinc/74/84/80/1080748480.db2.gz QXBVWASRNXBEHV-ZBFHGGJFSA-N 1 2 411.437 0.837 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672643939 1080748337 /nfs/dbraw/zinc/74/83/37/1080748337.db2.gz OPZMVPWKFILTNK-DOTOQJQBSA-N 1 2 418.469 0.370 20 0 HCADLO O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672643940 1080748270 /nfs/dbraw/zinc/74/82/70/1080748270.db2.gz OPZMVPWKFILTNK-NVXWUHKLSA-N 1 2 418.469 0.370 20 0 HCADLO O=C(N[C@H]1CCN(c2ccccc2F)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672643941 1080748406 /nfs/dbraw/zinc/74/84/06/1080748406.db2.gz OPZMVPWKFILTNK-RDJZCZTQSA-N 1 2 418.469 0.370 20 0 HCADLO O=C(N[C@H]1CCN(c2ccccc2F)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672643942 1080748520 /nfs/dbraw/zinc/74/85/20/1080748520.db2.gz OPZMVPWKFILTNK-WBVHZDCISA-N 1 2 418.469 0.370 20 0 HCADLO O=C(CN1CCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1)N1CCCC1 ZINC000672650631 1080752914 /nfs/dbraw/zinc/75/29/14/1080752914.db2.gz JXCRJWFWIATLQX-UHFFFAOYSA-N 1 2 424.505 0.255 20 0 HCADLO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)ncn1 ZINC000672661644 1080756088 /nfs/dbraw/zinc/75/60/88/1080756088.db2.gz PKPVKISHAIBZLU-MSOLQXFVSA-N 1 2 423.521 0.914 20 0 HCADLO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)ncn1 ZINC000672661645 1080755964 /nfs/dbraw/zinc/75/59/64/1080755964.db2.gz PKPVKISHAIBZLU-QZTJIDSGSA-N 1 2 423.521 0.914 20 0 HCADLO CCc1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)ncn1 ZINC000672661646 1080755904 /nfs/dbraw/zinc/75/59/04/1080755904.db2.gz PKPVKISHAIBZLU-ROUUACIJSA-N 1 2 423.521 0.914 20 0 HCADLO CCc1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)ncn1 ZINC000672661647 1080756051 /nfs/dbraw/zinc/75/60/51/1080756051.db2.gz PKPVKISHAIBZLU-ZWKOTPCHSA-N 1 2 423.521 0.914 20 0 HCADLO CC(C)CN(C)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662466 1080750916 /nfs/dbraw/zinc/75/09/16/1080750916.db2.gz OXOUOLCFPPRZEY-INIZCTEOSA-N 1 2 404.515 0.513 20 0 HCADLO CC(C)CN(C)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662466 1080750904 /nfs/dbraw/zinc/75/09/04/1080750904.db2.gz OXOUOLCFPPRZEY-INIZCTEOSA-N 1 2 404.515 0.513 20 0 HCADLO CC(C)CN(C)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662467 1080751070 /nfs/dbraw/zinc/75/10/70/1080751070.db2.gz OXOUOLCFPPRZEY-MRXNPFEDSA-N 1 2 404.515 0.513 20 0 HCADLO CC(C)CN(C)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662467 1080751062 /nfs/dbraw/zinc/75/10/62/1080751062.db2.gz OXOUOLCFPPRZEY-MRXNPFEDSA-N 1 2 404.515 0.513 20 0 HCADLO O=C(NCCCC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662472 1080750797 /nfs/dbraw/zinc/75/07/97/1080750797.db2.gz PETVPDPLBSELFO-KRWDZBQOSA-N 1 2 416.526 0.705 20 0 HCADLO O=C(NCCCC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662472 1080750780 /nfs/dbraw/zinc/75/07/80/1080750780.db2.gz PETVPDPLBSELFO-KRWDZBQOSA-N 1 2 416.526 0.705 20 0 HCADLO O=C(NCCCC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662473 1080751123 /nfs/dbraw/zinc/75/11/23/1080751123.db2.gz PETVPDPLBSELFO-QGZVFWFLSA-N 1 2 416.526 0.705 20 0 HCADLO O=C(NCCCC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662473 1080751120 /nfs/dbraw/zinc/75/11/20/1080751120.db2.gz PETVPDPLBSELFO-QGZVFWFLSA-N 1 2 416.526 0.705 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCC1 ZINC000672662503 1080750239 /nfs/dbraw/zinc/75/02/39/1080750239.db2.gz RGANTKXMGPYOMB-DOTOQJQBSA-N 1 2 416.526 0.703 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCC1 ZINC000672662503 1080750221 /nfs/dbraw/zinc/75/02/21/1080750221.db2.gz RGANTKXMGPYOMB-DOTOQJQBSA-N 1 2 416.526 0.703 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCC1 ZINC000672662504 1080750287 /nfs/dbraw/zinc/75/02/87/1080750287.db2.gz RGANTKXMGPYOMB-NVXWUHKLSA-N 1 2 416.526 0.703 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCC1 ZINC000672662504 1080750268 /nfs/dbraw/zinc/75/02/68/1080750268.db2.gz RGANTKXMGPYOMB-NVXWUHKLSA-N 1 2 416.526 0.703 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCC1 ZINC000672662505 1080750875 /nfs/dbraw/zinc/75/08/75/1080750875.db2.gz RGANTKXMGPYOMB-RDJZCZTQSA-N 1 2 416.526 0.703 20 0 HCADLO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCC1 ZINC000672662505 1080750863 /nfs/dbraw/zinc/75/08/63/1080750863.db2.gz RGANTKXMGPYOMB-RDJZCZTQSA-N 1 2 416.526 0.703 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCC1 ZINC000672662506 1080750972 /nfs/dbraw/zinc/75/09/72/1080750972.db2.gz RGANTKXMGPYOMB-WBVHZDCISA-N 1 2 416.526 0.703 20 0 HCADLO C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCC1 ZINC000672662506 1080750964 /nfs/dbraw/zinc/75/09/64/1080750964.db2.gz RGANTKXMGPYOMB-WBVHZDCISA-N 1 2 416.526 0.703 20 0 HCADLO CCCCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662525 1080751041 /nfs/dbraw/zinc/75/10/41/1080751041.db2.gz URSIWUXFWHMUPD-INIZCTEOSA-N 1 2 404.515 0.705 20 0 HCADLO CCCCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662525 1080751033 /nfs/dbraw/zinc/75/10/33/1080751033.db2.gz URSIWUXFWHMUPD-INIZCTEOSA-N 1 2 404.515 0.705 20 0 HCADLO CCCCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000672662526 1080751208 /nfs/dbraw/zinc/75/12/08/1080751208.db2.gz URSIWUXFWHMUPD-MRXNPFEDSA-N 1 2 404.515 0.705 20 0 HCADLO CCCCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000672662526 1080751195 /nfs/dbraw/zinc/75/11/95/1080751195.db2.gz URSIWUXFWHMUPD-MRXNPFEDSA-N 1 2 404.515 0.705 20 0 HCADLO CS(=O)(=O)NCC1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000672667096 1080755121 /nfs/dbraw/zinc/75/51/21/1080755121.db2.gz LUSYJCPWVUQYAV-UHFFFAOYSA-N 1 2 414.532 0.008 20 0 HCADLO C[C@]1(C[C@H]2CCCN2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)NC(=O)NC1=O ZINC000672667161 1080755082 /nfs/dbraw/zinc/75/50/82/1080755082.db2.gz RVMUWHRYJFZNRT-AUUYWEPGSA-N 1 2 419.486 0.200 20 0 HCADLO C[C@]1(C[C@@H]2CCCN2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)NC(=O)NC1=O ZINC000672667164 1080754976 /nfs/dbraw/zinc/75/49/76/1080754976.db2.gz RVMUWHRYJFZNRT-IFXJQAMLSA-N 1 2 419.486 0.200 20 0 HCADLO C[C@@]1(C[C@H]2CCCN2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)NC(=O)NC1=O ZINC000672667165 1080755210 /nfs/dbraw/zinc/75/52/10/1080755210.db2.gz RVMUWHRYJFZNRT-KUHUBIRLSA-N 1 2 419.486 0.200 20 0 HCADLO C[C@@]1(C[C@@H]2CCCN2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)NC(=O)NC1=O ZINC000672667166 1080755139 /nfs/dbraw/zinc/75/51/39/1080755139.db2.gz RVMUWHRYJFZNRT-LIRRHRJNSA-N 1 2 419.486 0.200 20 0 HCADLO O=C(CCc1[nH]cc[nH+]1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000672671585 1080755479 /nfs/dbraw/zinc/75/54/79/1080755479.db2.gz ZESKCKMXWHEPMO-UHFFFAOYSA-N 1 2 406.464 0.647 20 0 HCADLO C[C@@]1(C[C@H]2CCCN2C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)NC(=O)NC1=O ZINC000672687684 1080758370 /nfs/dbraw/zinc/75/83/70/1080758370.db2.gz BGAYHOITWSQALJ-BEFAXECRSA-N 1 2 419.486 0.200 20 0 HCADLO C[C@]1(C[C@H]2CCCN2C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)NC(=O)NC1=O ZINC000672687685 1080758271 /nfs/dbraw/zinc/75/82/71/1080758271.db2.gz BGAYHOITWSQALJ-DNVCBOLYSA-N 1 2 419.486 0.200 20 0 HCADLO C[C@]1(C[C@@H]2CCCN2C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)NC(=O)NC1=O ZINC000672687686 1080758336 /nfs/dbraw/zinc/75/83/36/1080758336.db2.gz BGAYHOITWSQALJ-HNAYVOBHSA-N 1 2 419.486 0.200 20 0 HCADLO C[C@@]1(C[C@@H]2CCCN2C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)NC(=O)NC1=O ZINC000672687688 1080758253 /nfs/dbraw/zinc/75/82/53/1080758253.db2.gz BGAYHOITWSQALJ-KXBFYZLASA-N 1 2 419.486 0.200 20 0 HCADLO CS(=O)(=O)NCC1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000672687784 1080758409 /nfs/dbraw/zinc/75/84/09/1080758409.db2.gz JDWHJXSMKMSXPG-UHFFFAOYSA-N 1 2 414.532 0.008 20 0 HCADLO O=C(NCCc1csc(N2CCCC2)n1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672700275 1080762804 /nfs/dbraw/zinc/76/28/04/1080762804.db2.gz CZWQBLOHAYLLLG-KRWDZBQOSA-N 1 2 421.567 0.725 20 0 HCADLO O=C(NCCc1csc(N2CCCC2)n1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672700276 1080762756 /nfs/dbraw/zinc/76/27/56/1080762756.db2.gz CZWQBLOHAYLLLG-QGZVFWFLSA-N 1 2 421.567 0.725 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000672707047 1080760297 /nfs/dbraw/zinc/76/02/97/1080760297.db2.gz BMADPRCPLCQFJQ-CVEARBPZSA-N 1 2 402.561 0.743 20 0 HCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000672707048 1080760591 /nfs/dbraw/zinc/76/05/91/1080760591.db2.gz BMADPRCPLCQFJQ-HOTGVXAUSA-N 1 2 402.561 0.743 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000672707049 1080760336 /nfs/dbraw/zinc/76/03/36/1080760336.db2.gz BMADPRCPLCQFJQ-HZPDHXFCSA-N 1 2 402.561 0.743 20 0 HCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000672707050 1080760376 /nfs/dbraw/zinc/76/03/76/1080760376.db2.gz BMADPRCPLCQFJQ-JKSUJKDBSA-N 1 2 402.561 0.743 20 0 HCADLO CC1(C)CN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC[N@H+]1CCO ZINC000672709333 1080761393 /nfs/dbraw/zinc/76/13/93/1080761393.db2.gz XMLRDPFCGHREER-UHFFFAOYSA-N 1 2 405.547 0.087 20 0 HCADLO CC1(C)CN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1CCO ZINC000672709333 1080761386 /nfs/dbraw/zinc/76/13/86/1080761386.db2.gz XMLRDPFCGHREER-UHFFFAOYSA-N 1 2 405.547 0.087 20 0 HCADLO Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000672719054 1080764451 /nfs/dbraw/zinc/76/44/51/1080764451.db2.gz LCFMMPMBXHBZSC-LLVKDONJSA-N 1 2 412.454 0.494 20 0 HCADLO Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000672719055 1080764631 /nfs/dbraw/zinc/76/46/31/1080764631.db2.gz LCFMMPMBXHBZSC-NSHDSACASA-N 1 2 412.454 0.494 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)c2c(C)noc2C)CC1 ZINC000672723433 1080765575 /nfs/dbraw/zinc/76/55/75/1080765575.db2.gz FABDZNQFOBOILY-AWEZNQCLSA-N 1 2 407.515 0.871 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)c2c(C)noc2C)CC1 ZINC000672723433 1080765566 /nfs/dbraw/zinc/76/55/66/1080765566.db2.gz FABDZNQFOBOILY-AWEZNQCLSA-N 1 2 407.515 0.871 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2c(C)noc2C)CC1 ZINC000672723434 1080765532 /nfs/dbraw/zinc/76/55/32/1080765532.db2.gz FABDZNQFOBOILY-CQSZACIVSA-N 1 2 407.515 0.871 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2c(C)noc2C)CC1 ZINC000672723434 1080765525 /nfs/dbraw/zinc/76/55/25/1080765525.db2.gz FABDZNQFOBOILY-CQSZACIVSA-N 1 2 407.515 0.871 20 0 HCADLO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672724624 1080765503 /nfs/dbraw/zinc/76/55/03/1080765503.db2.gz CPAKVDRAHOHSHI-FGTMMUONSA-N 1 2 403.527 0.640 20 0 HCADLO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672724628 1080765383 /nfs/dbraw/zinc/76/53/83/1080765383.db2.gz CPAKVDRAHOHSHI-KURKYZTESA-N 1 2 403.527 0.640 20 0 HCADLO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672724630 1080765475 /nfs/dbraw/zinc/76/54/75/1080765475.db2.gz CPAKVDRAHOHSHI-KZNAEPCWSA-N 1 2 403.527 0.640 20 0 HCADLO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672724631 1080765339 /nfs/dbraw/zinc/76/53/39/1080765339.db2.gz CPAKVDRAHOHSHI-SQNIBIBYSA-N 1 2 403.527 0.640 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(CCO)CC(C)(C)C ZINC000672724749 1080769794 /nfs/dbraw/zinc/76/97/94/1080769794.db2.gz KWAVSWRMNHJIIM-KRWDZBQOSA-N 1 2 405.543 0.575 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(CCO)CC(C)(C)C ZINC000672724751 1080769694 /nfs/dbraw/zinc/76/96/94/1080769694.db2.gz KWAVSWRMNHJIIM-QGZVFWFLSA-N 1 2 405.543 0.575 20 0 HCADLO COC1(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCOCC1 ZINC000672724948 1080769755 /nfs/dbraw/zinc/76/97/55/1080769755.db2.gz OVJOXPIHUMIHIK-KRWDZBQOSA-N 1 2 419.526 0.020 20 0 HCADLO COC1(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCOCC1 ZINC000672724950 1080769614 /nfs/dbraw/zinc/76/96/14/1080769614.db2.gz OVJOXPIHUMIHIK-QGZVFWFLSA-N 1 2 419.526 0.020 20 0 HCADLO CCN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672725158 1080769769 /nfs/dbraw/zinc/76/97/69/1080769769.db2.gz ALQNJIBOPSIEFA-MSOLQXFVSA-N 1 2 403.527 0.593 20 0 HCADLO CCN(C[C@H]1CCOC1)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672725159 1080769496 /nfs/dbraw/zinc/76/94/96/1080769496.db2.gz ALQNJIBOPSIEFA-QZTJIDSGSA-N 1 2 403.527 0.593 20 0 HCADLO CCN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672725160 1080769782 /nfs/dbraw/zinc/76/97/82/1080769782.db2.gz ALQNJIBOPSIEFA-ROUUACIJSA-N 1 2 403.527 0.593 20 0 HCADLO CCN(C[C@H]1CCOC1)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672725161 1080769513 /nfs/dbraw/zinc/76/95/13/1080769513.db2.gz ALQNJIBOPSIEFA-ZWKOTPCHSA-N 1 2 403.527 0.593 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCc2ccc(O)cc2C1 ZINC000672725188 1080769634 /nfs/dbraw/zinc/76/96/34/1080769634.db2.gz HXGXHGPGGWGRKV-KRWDZBQOSA-N 1 2 423.517 0.999 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCc2ccc(O)cc2C1 ZINC000672725189 1080769732 /nfs/dbraw/zinc/76/97/32/1080769732.db2.gz HXGXHGPGGWGRKV-QGZVFWFLSA-N 1 2 423.517 0.999 20 0 HCADLO CCO[C@H]1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672725198 1080769674 /nfs/dbraw/zinc/76/96/74/1080769674.db2.gz LHFHVVDWALJVMT-MSOLQXFVSA-N 1 2 403.527 0.736 20 0 HCADLO CCO[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672725199 1080769810 /nfs/dbraw/zinc/76/98/10/1080769810.db2.gz LHFHVVDWALJVMT-QZTJIDSGSA-N 1 2 403.527 0.736 20 0 HCADLO CCO[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672725200 1080769743 /nfs/dbraw/zinc/76/97/43/1080769743.db2.gz LHFHVVDWALJVMT-ROUUACIJSA-N 1 2 403.527 0.736 20 0 HCADLO CCO[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672725201 1080769557 /nfs/dbraw/zinc/76/95/57/1080769557.db2.gz LHFHVVDWALJVMT-ZWKOTPCHSA-N 1 2 403.527 0.736 20 0 HCADLO Cc1cn2c(n1)CN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000672725339 1080769533 /nfs/dbraw/zinc/76/95/33/1080769533.db2.gz VOHYRFBWTSKITF-INIZCTEOSA-N 1 2 411.510 0.256 20 0 HCADLO Cc1cn2c(n1)CN(C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000672725340 1080769708 /nfs/dbraw/zinc/76/97/08/1080769708.db2.gz VOHYRFBWTSKITF-MRXNPFEDSA-N 1 2 411.510 0.256 20 0 HCADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CCOC(C)(C)C ZINC000672725415 1080769176 /nfs/dbraw/zinc/76/91/76/1080769176.db2.gz SIWPXMLBBWTIOE-KRWDZBQOSA-N 1 2 405.543 0.982 20 0 HCADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CCOC(C)(C)C ZINC000672725416 1080769253 /nfs/dbraw/zinc/76/92/53/1080769253.db2.gz SIWPXMLBBWTIOE-QGZVFWFLSA-N 1 2 405.543 0.982 20 0 HCADLO O=C(N[C@H]1CCCN(c2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672729610 1080767876 /nfs/dbraw/zinc/76/78/76/1080767876.db2.gz NXVVGBMEGOXSCM-MOPGFXCFSA-N 1 2 414.506 0.621 20 0 HCADLO O=C(N[C@H]1CCCN(c2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672729611 1080767793 /nfs/dbraw/zinc/76/77/93/1080767793.db2.gz NXVVGBMEGOXSCM-OALUTQOASA-N 1 2 414.506 0.621 20 0 HCADLO O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672729612 1080767715 /nfs/dbraw/zinc/76/77/15/1080767715.db2.gz NXVVGBMEGOXSCM-RBUKOAKNSA-N 1 2 414.506 0.621 20 0 HCADLO O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672729613 1080767841 /nfs/dbraw/zinc/76/78/41/1080767841.db2.gz NXVVGBMEGOXSCM-RTBURBONSA-N 1 2 414.506 0.621 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2cc(C(C)C)no2)CC1 ZINC000672737853 1080770598 /nfs/dbraw/zinc/77/05/98/1080770598.db2.gz PUWHIYOZHIPDGM-UHFFFAOYSA-N 1 2 407.515 0.817 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2cc(C(C)C)no2)CC1 ZINC000672737853 1080770588 /nfs/dbraw/zinc/77/05/88/1080770588.db2.gz PUWHIYOZHIPDGM-UHFFFAOYSA-N 1 2 407.515 0.817 20 0 HCADLO CC(C)c1cc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)on1 ZINC000672738074 1080770520 /nfs/dbraw/zinc/77/05/20/1080770520.db2.gz XOMXBOYXQOCHPC-UHFFFAOYSA-N 1 2 412.454 0.440 20 0 HCADLO COc1cccnc1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000672745598 1080771563 /nfs/dbraw/zinc/77/15/63/1080771563.db2.gz ONUSCUMHDFKTBM-UHFFFAOYSA-N 1 2 419.507 0.296 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NCc3ccc(N4CCOCC4)nc3)[nH+]c12 ZINC000672761344 1080772982 /nfs/dbraw/zinc/77/29/82/1080772982.db2.gz RQYKMFQLDTXJGF-UHFFFAOYSA-N 1 2 422.489 0.849 20 0 HCADLO COCCC(=O)N1CCC(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000672761426 1080773617 /nfs/dbraw/zinc/77/36/17/1080773617.db2.gz VPBNKWCTOMIGJW-UHFFFAOYSA-N 1 2 415.494 0.445 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH+]c12 ZINC000672762142 1080773536 /nfs/dbraw/zinc/77/35/36/1080773536.db2.gz RNDOTPGYAYWKMN-UHFFFAOYSA-N 1 2 409.446 0.879 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NCCS(=O)(=O)c3ccccc3)[nH+]c12 ZINC000672762150 1080773705 /nfs/dbraw/zinc/77/37/05/1080773705.db2.gz RYKPKIRZBLMCGI-UHFFFAOYSA-N 1 2 414.487 0.892 20 0 HCADLO Cc1cc(CN2CCN(C(=O)C(=O)NCCc3cn4cccc(C)c4[nH+]3)CC2)on1 ZINC000672762218 1080773580 /nfs/dbraw/zinc/77/35/80/1080773580.db2.gz UOYYILQTFFXART-UHFFFAOYSA-N 1 2 410.478 0.942 20 0 HCADLO COc1ccnc(N2CCN(C(=O)C(=O)NCCc3cn4cccc(C)c4[nH+]3)CC2)n1 ZINC000672762226 1080773403 /nfs/dbraw/zinc/77/34/03/1080773403.db2.gz ULQLKQYLFDSTIA-UHFFFAOYSA-N 1 2 423.477 0.449 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(c4nccnc4C)CC3)[nH+]c12 ZINC000672762506 1080773455 /nfs/dbraw/zinc/77/34/55/1080773455.db2.gz IWJDYKZOROZJBH-UHFFFAOYSA-N 1 2 407.478 0.749 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)[nH+]c12 ZINC000672762550 1080773429 /nfs/dbraw/zinc/77/34/29/1080773429.db2.gz GCLZLZMMTMSOAN-UHFFFAOYSA-N 1 2 409.446 0.482 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NCc3cccnc3N3CCOCC3)[nH+]c12 ZINC000672762699 1080773671 /nfs/dbraw/zinc/77/36/71/1080773671.db2.gz NMXZPLXVKMPAIE-UHFFFAOYSA-N 1 2 422.489 0.849 20 0 HCADLO Cc1cc(CN2CCN(C(=O)C(=O)NCCc3cn4cccc(C)c4[nH+]3)CC2)no1 ZINC000672762733 1080773556 /nfs/dbraw/zinc/77/35/56/1080773556.db2.gz OJBMMTOWGMNZBU-UHFFFAOYSA-N 1 2 410.478 0.942 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NCC(=O)N(C)CCc3ccccn3)[nH+]c12 ZINC000672762750 1080774243 /nfs/dbraw/zinc/77/42/43/1080774243.db2.gz QNCUNYPKEDZFMC-UHFFFAOYSA-N 1 2 422.489 0.514 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)[nH+]c12 ZINC000672762751 1080773975 /nfs/dbraw/zinc/77/39/75/1080773975.db2.gz PYUUVJXDOWPWOW-CYBMUJFWSA-N 1 2 411.384 0.581 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)[nH+]c12 ZINC000672762755 1080774177 /nfs/dbraw/zinc/77/41/77/1080774177.db2.gz PYUUVJXDOWPWOW-ZDUSSCGKSA-N 1 2 411.384 0.581 20 0 HCADLO COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672762858 1080774202 /nfs/dbraw/zinc/77/42/02/1080774202.db2.gz UJKBXGFPWCKHBN-AEFFLSMTSA-N 1 2 418.494 0.174 20 0 HCADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672762863 1080774284 /nfs/dbraw/zinc/77/42/84/1080774284.db2.gz UJKBXGFPWCKHBN-FUHWJXTLSA-N 1 2 418.494 0.174 20 0 HCADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672762864 1080774390 /nfs/dbraw/zinc/77/43/90/1080774390.db2.gz UJKBXGFPWCKHBN-SJLPKXTDSA-N 1 2 418.494 0.174 20 0 HCADLO COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672762865 1080774076 /nfs/dbraw/zinc/77/40/76/1080774076.db2.gz UJKBXGFPWCKHBN-WMZOPIPTSA-N 1 2 418.494 0.174 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(Cc4nccn4C)CC3)[nH+]c12 ZINC000672762997 1080774262 /nfs/dbraw/zinc/77/42/62/1080774262.db2.gz ANFWIGOYFXZBKP-UHFFFAOYSA-N 1 2 409.494 0.379 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)[nH+]c12 ZINC000672763039 1080774006 /nfs/dbraw/zinc/77/40/06/1080774006.db2.gz GYALUCXUPIVQJU-UHFFFAOYSA-N 1 2 414.510 0.954 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NCc3ccnc(N4CCOCC4)c3)[nH+]c12 ZINC000672763505 1080774224 /nfs/dbraw/zinc/77/42/24/1080774224.db2.gz GXRHYUPRTBEYCW-UHFFFAOYSA-N 1 2 422.489 0.849 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH+]c12 ZINC000672763527 1080774307 /nfs/dbraw/zinc/77/43/07/1080774307.db2.gz IXDGRMPUHVJQEH-KRWDZBQOSA-N 1 2 413.478 0.151 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)[nH+]c12 ZINC000672763528 1080773951 /nfs/dbraw/zinc/77/39/51/1080773951.db2.gz IXDGRMPUHVJQEH-QGZVFWFLSA-N 1 2 413.478 0.151 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)[nH+]c12 ZINC000672763533 1080774372 /nfs/dbraw/zinc/77/43/72/1080774372.db2.gz JSONDXIMVGADEK-INIZCTEOSA-N 1 2 409.494 0.820 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)[nH+]c12 ZINC000672763534 1080774354 /nfs/dbraw/zinc/77/43/54/1080774354.db2.gz JSONDXIMVGADEK-MRXNPFEDSA-N 1 2 409.494 0.820 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NCc3cccc(N4CCOCC4)n3)[nH+]c12 ZINC000672763549 1080774331 /nfs/dbraw/zinc/77/43/31/1080774331.db2.gz KQSOWAKPJGVXMU-UHFFFAOYSA-N 1 2 422.489 0.849 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000672763758 1080774051 /nfs/dbraw/zinc/77/40/51/1080774051.db2.gz MGYCXTYZUUCRTF-UHFFFAOYSA-N 1 2 415.494 0.303 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)[nH+]c12 ZINC000672763760 1080774110 /nfs/dbraw/zinc/77/41/10/1080774110.db2.gz GKORKCMCUVWQKT-UHFFFAOYSA-N 1 2 414.495 0.084 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NCCc3nnc4n3CCCCC4)[nH+]c12 ZINC000672764228 1080777539 /nfs/dbraw/zinc/77/75/39/1080777539.db2.gz OBFJRKDYXOZGSC-UHFFFAOYSA-N 1 2 409.494 0.978 20 0 HCADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672764236 1080777598 /nfs/dbraw/zinc/77/75/98/1080777598.db2.gz OXOHABFGXQLXGI-UHFFFAOYSA-N 1 2 409.512 0.089 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)[nH+]c12 ZINC000672764284 1080771981 /nfs/dbraw/zinc/77/19/81/1080771981.db2.gz QQDOYFPSIPBIJC-INIZCTEOSA-N 1 2 407.478 0.877 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)[nH+]c12 ZINC000672764287 1080771939 /nfs/dbraw/zinc/77/19/39/1080771939.db2.gz QQDOYFPSIPBIJC-MRXNPFEDSA-N 1 2 407.478 0.877 20 0 HCADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672764290 1080771965 /nfs/dbraw/zinc/77/19/65/1080771965.db2.gz QTAXKHRTEDQKTG-DLBZAZTESA-N 1 2 404.467 0.238 20 0 HCADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672764293 1080771917 /nfs/dbraw/zinc/77/19/17/1080771917.db2.gz QTAXKHRTEDQKTG-IAGOWNOFSA-N 1 2 404.467 0.238 20 0 HCADLO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672764295 1080772021 /nfs/dbraw/zinc/77/20/21/1080772021.db2.gz QTAXKHRTEDQKTG-IRXDYDNUSA-N 1 2 404.467 0.238 20 0 HCADLO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672764376 1080774028 /nfs/dbraw/zinc/77/40/28/1080774028.db2.gz QTAXKHRTEDQKTG-SJORKVTESA-N 1 2 404.467 0.238 20 0 HCADLO CCN(CCCNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)S(C)(=O)=O ZINC000672764709 1080777888 /nfs/dbraw/zinc/77/78/88/1080777888.db2.gz JWJQRPBTXGBVPN-UHFFFAOYSA-N 1 2 409.512 0.089 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(c4ccnc(C)n4)CC3)[nH+]c12 ZINC000672765044 1080777750 /nfs/dbraw/zinc/77/77/50/1080777750.db2.gz MIPCOBXWMQGKAQ-UHFFFAOYSA-N 1 2 407.478 0.749 20 0 HCADLO CCN(C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H](C)CS(=O)(=O)CC ZINC000672765091 1080777877 /nfs/dbraw/zinc/77/78/77/1080777877.db2.gz RLVBJTDDSQMTHG-HNNXBMFYSA-N 1 2 408.524 0.973 20 0 HCADLO CCN(C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H](C)CS(=O)(=O)CC ZINC000672765092 1080777772 /nfs/dbraw/zinc/77/77/72/1080777772.db2.gz RLVBJTDDSQMTHG-OAHLLOKOSA-N 1 2 408.524 0.973 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NC3CCN(c4cccnn4)CC3)[nH+]c12 ZINC000672765130 1080777902 /nfs/dbraw/zinc/77/79/02/1080777902.db2.gz UMSUEYPBXOKRDI-UHFFFAOYSA-N 1 2 407.478 0.877 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H](CO)C3)[nH+]c12 ZINC000672765595 1080777675 /nfs/dbraw/zinc/77/76/75/1080777675.db2.gz NWVWACYVQVMWGN-WMZOPIPTSA-N 1 2 410.478 0.269 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)[nH+]c12 ZINC000672765700 1080778426 /nfs/dbraw/zinc/77/84/26/1080778426.db2.gz JTCLCRQCTUPCHX-UHFFFAOYSA-N 1 2 420.473 0.681 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)[nH+]c12 ZINC000672765720 1080778171 /nfs/dbraw/zinc/77/81/71/1080778171.db2.gz QTQYEDMFUUZGKT-INIZCTEOSA-N 1 2 423.477 0.347 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)[nH+]c12 ZINC000672765721 1080778480 /nfs/dbraw/zinc/77/84/80/1080778480.db2.gz QTQYEDMFUUZGKT-MRXNPFEDSA-N 1 2 423.477 0.347 20 0 HCADLO CC[C@H](NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)C(=O)N1CCOCC1 ZINC000672766129 1080778580 /nfs/dbraw/zinc/77/85/80/1080778580.db2.gz GYXYIBGHRRKMAM-INIZCTEOSA-N 1 2 401.467 0.055 20 0 HCADLO CC[C@@H](NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)C(=O)N1CCOCC1 ZINC000672766130 1080778615 /nfs/dbraw/zinc/77/86/15/1080778615.db2.gz GYXYIBGHRRKMAM-MRXNPFEDSA-N 1 2 401.467 0.055 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(Cc4cnn(C)c4)CC3)[nH+]c12 ZINC000672766382 1080778341 /nfs/dbraw/zinc/77/83/41/1080778341.db2.gz YCZVBDZBMUSRGH-UHFFFAOYSA-N 1 2 409.494 0.379 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)[nH+]c12 ZINC000672766502 1080778146 /nfs/dbraw/zinc/77/81/46/1080778146.db2.gz JXQVRJMSFTWEHO-HNNXBMFYSA-N 1 2 421.523 0.089 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)[nH+]c12 ZINC000672766503 1080778445 /nfs/dbraw/zinc/77/84/45/1080778445.db2.gz JXQVRJMSFTWEHO-OAHLLOKOSA-N 1 2 421.523 0.089 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)[nH+]c12 ZINC000672766526 1080778558 /nfs/dbraw/zinc/77/85/58/1080778558.db2.gz MKDFFWJOJMLCSV-UHFFFAOYSA-N 1 2 411.441 0.579 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)nc12 ZINC000672767805 1080774694 /nfs/dbraw/zinc/77/46/94/1080774694.db2.gz AABWSLULMJQPGW-GOSISDBHSA-N 1 2 401.511 0.774 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)nc12 ZINC000672767806 1080774805 /nfs/dbraw/zinc/77/48/05/1080774805.db2.gz AABWSLULMJQPGW-SFHVURJKSA-N 1 2 401.511 0.774 20 0 HCADLO COc1cc(N2CCN(C(=O)C(=O)NCCc3cn4cccc(C)c4[nH+]3)CC2)ncn1 ZINC000672767833 1080775253 /nfs/dbraw/zinc/77/52/53/1080775253.db2.gz FQOHZNNTXCCQNK-UHFFFAOYSA-N 1 2 423.477 0.449 20 0 HCADLO COCCN1CCCN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1=O ZINC000672768048 1080779264 /nfs/dbraw/zinc/77/92/64/1080779264.db2.gz UNGSABMPAAVFQV-UHFFFAOYSA-N 1 2 401.467 0.009 20 0 HCADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCOCC4(CCOCC4)C3)[nH+]c12 ZINC000672768070 1080779286 /nfs/dbraw/zinc/77/92/86/1080779286.db2.gz NLJJIBGLGWSIAC-UHFFFAOYSA-N 1 2 400.479 0.957 20 0 HCADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCc1cn3cccc(C)c3[nH+]1)CC2 ZINC000672768425 1080779068 /nfs/dbraw/zinc/77/90/68/1080779068.db2.gz YZIICGHSAUPGHJ-AWEZNQCLSA-N 1 2 411.466 0.171 20 0 HCADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCc1cn3cccc(C)c3[nH+]1)CC2 ZINC000672768426 1080778887 /nfs/dbraw/zinc/77/88/87/1080778887.db2.gz YZIICGHSAUPGHJ-CQSZACIVSA-N 1 2 411.466 0.171 20 0 HCADLO O=C1C[C@@H]([N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1c1cccc(O)c1 ZINC000672773237 1080776381 /nfs/dbraw/zinc/77/63/81/1080776381.db2.gz UJTQWALEWWGIKG-CXAGYDPISA-N 1 2 407.492 0.818 20 0 HCADLO O=C1C[C@@H]([N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1c1cccc(O)c1 ZINC000672773237 1080776369 /nfs/dbraw/zinc/77/63/69/1080776369.db2.gz UJTQWALEWWGIKG-CXAGYDPISA-N 1 2 407.492 0.818 20 0 HCADLO O=C1C[C@H]([N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1c1cccc(O)c1 ZINC000672773239 1080777021 /nfs/dbraw/zinc/77/70/21/1080777021.db2.gz UJTQWALEWWGIKG-DYVFJYSZSA-N 1 2 407.492 0.818 20 0 HCADLO O=C1C[C@H]([N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1c1cccc(O)c1 ZINC000672773239 1080777015 /nfs/dbraw/zinc/77/70/15/1080777015.db2.gz UJTQWALEWWGIKG-DYVFJYSZSA-N 1 2 407.492 0.818 20 0 HCADLO O=C1C[C@H]([N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1c1cccc(O)c1 ZINC000672773240 1080776900 /nfs/dbraw/zinc/77/69/00/1080776900.db2.gz UJTQWALEWWGIKG-GUYCJALGSA-N 1 2 407.492 0.818 20 0 HCADLO O=C1C[C@H]([N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1c1cccc(O)c1 ZINC000672773240 1080776889 /nfs/dbraw/zinc/77/68/89/1080776889.db2.gz UJTQWALEWWGIKG-GUYCJALGSA-N 1 2 407.492 0.818 20 0 HCADLO O=C1C[C@@H]([N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1c1cccc(O)c1 ZINC000672773243 1080777088 /nfs/dbraw/zinc/77/70/88/1080777088.db2.gz UJTQWALEWWGIKG-SUMWQHHRSA-N 1 2 407.492 0.818 20 0 HCADLO O=C1C[C@@H]([N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1c1cccc(O)c1 ZINC000672773243 1080777080 /nfs/dbraw/zinc/77/70/80/1080777080.db2.gz UJTQWALEWWGIKG-SUMWQHHRSA-N 1 2 407.492 0.818 20 0 HCADLO COc1ccc(CS(C)(=O)=O)cc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000672788583 1080781025 /nfs/dbraw/zinc/78/10/25/1080781025.db2.gz RORGAXQCFRCBEE-HNNXBMFYSA-N 1 2 415.512 0.397 20 0 HCADLO COc1ccc(CS(C)(=O)=O)cc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000672788584 1080780978 /nfs/dbraw/zinc/78/09/78/1080780978.db2.gz RORGAXQCFRCBEE-OAHLLOKOSA-N 1 2 415.512 0.397 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCC1 ZINC000672790941 1080783411 /nfs/dbraw/zinc/78/34/11/1080783411.db2.gz VAMREETXMALIHU-HNNXBMFYSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCC1 ZINC000672790941 1080783401 /nfs/dbraw/zinc/78/34/01/1080783401.db2.gz VAMREETXMALIHU-HNNXBMFYSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCC1 ZINC000672790944 1080783537 /nfs/dbraw/zinc/78/35/37/1080783537.db2.gz VAMREETXMALIHU-OAHLLOKOSA-N 1 2 402.499 0.267 20 0 HCADLO C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCC1 ZINC000672790944 1080783525 /nfs/dbraw/zinc/78/35/25/1080783525.db2.gz VAMREETXMALIHU-OAHLLOKOSA-N 1 2 402.499 0.267 20 0 HCADLO COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)n2C ZINC000672809797 1080787624 /nfs/dbraw/zinc/78/76/24/1080787624.db2.gz JWLJAYODODIQSU-INIZCTEOSA-N 1 2 415.494 0.521 20 0 HCADLO COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)n2C ZINC000672809800 1080787484 /nfs/dbraw/zinc/78/74/84/1080787484.db2.gz JWLJAYODODIQSU-MRXNPFEDSA-N 1 2 415.494 0.521 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2csc(N(C)C)n2)CC1 ZINC000672811128 1080787944 /nfs/dbraw/zinc/78/79/44/1080787944.db2.gz VTXWWRKANSNILB-UHFFFAOYSA-N 1 2 424.571 0.228 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2csc(N(C)C)n2)CC1 ZINC000672811128 1080787935 /nfs/dbraw/zinc/78/79/35/1080787935.db2.gz VTXWWRKANSNILB-UHFFFAOYSA-N 1 2 424.571 0.228 20 0 HCADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000672815625 1080790587 /nfs/dbraw/zinc/79/05/87/1080790587.db2.gz IPOGDEIIYUAWJH-CABCVRRESA-N 1 2 417.553 0.157 20 0 HCADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000672815626 1080790483 /nfs/dbraw/zinc/79/04/83/1080790483.db2.gz IPOGDEIIYUAWJH-GJZGRUSLSA-N 1 2 417.553 0.157 20 0 HCADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000672815627 1080790892 /nfs/dbraw/zinc/79/08/92/1080790892.db2.gz IPOGDEIIYUAWJH-HUUCEWRRSA-N 1 2 417.553 0.157 20 0 HCADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000672815628 1080790985 /nfs/dbraw/zinc/79/09/85/1080790985.db2.gz IPOGDEIIYUAWJH-LSDHHAIUSA-N 1 2 417.553 0.157 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000672839147 1080794565 /nfs/dbraw/zinc/79/45/65/1080794565.db2.gz BGRMRWMQWVSVOJ-AWEZNQCLSA-N 1 2 408.430 0.636 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000672839149 1080794608 /nfs/dbraw/zinc/79/46/08/1080794608.db2.gz BGRMRWMQWVSVOJ-CQSZACIVSA-N 1 2 408.430 0.636 20 0 HCADLO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672857789 1080796702 /nfs/dbraw/zinc/79/67/02/1080796702.db2.gz YEVDESRAWMMLOJ-AEFFLSMTSA-N 1 2 403.479 0.958 20 0 HCADLO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672857790 1080796657 /nfs/dbraw/zinc/79/66/57/1080796657.db2.gz YEVDESRAWMMLOJ-FUHWJXTLSA-N 1 2 403.479 0.958 20 0 HCADLO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672857791 1080796811 /nfs/dbraw/zinc/79/68/11/1080796811.db2.gz YEVDESRAWMMLOJ-SJLPKXTDSA-N 1 2 403.479 0.958 20 0 HCADLO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672857793 1080796726 /nfs/dbraw/zinc/79/67/26/1080796726.db2.gz 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417.514 0.189 20 0 HCADLO NC(=O)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000672865238 1080803005 /nfs/dbraw/zinc/80/30/05/1080803005.db2.gz JGHQLXQOOAEVKT-HZPDHXFCSA-N 1 2 417.514 0.189 20 0 HCADLO NC(=O)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000672865239 1080802880 /nfs/dbraw/zinc/80/28/80/1080802880.db2.gz JGHQLXQOOAEVKT-JKSUJKDBSA-N 1 2 417.514 0.189 20 0 HCADLO NC(=O)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000672865239 1080802877 /nfs/dbraw/zinc/80/28/77/1080802877.db2.gz JGHQLXQOOAEVKT-JKSUJKDBSA-N 1 2 417.514 0.189 20 0 HCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000672875650 1080800691 /nfs/dbraw/zinc/80/06/91/1080800691.db2.gz ZXBDNZIPBVCMRH-GXTWGEPZSA-N 1 2 400.476 0.478 20 0 HCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000672875651 1080800520 /nfs/dbraw/zinc/80/05/20/1080800520.db2.gz ZXBDNZIPBVCMRH-JSGCOSHPSA-N 1 2 400.476 0.478 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000672875652 1080800600 /nfs/dbraw/zinc/80/06/00/1080800600.db2.gz ZXBDNZIPBVCMRH-OCCSQVGLSA-N 1 2 400.476 0.478 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000672875653 1080800737 /nfs/dbraw/zinc/80/07/37/1080800737.db2.gz ZXBDNZIPBVCMRH-TZMCWYRMSA-N 1 2 400.476 0.478 20 0 HCADLO CC1(C)CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC[N@H+]1CCO ZINC000672878398 1080805354 /nfs/dbraw/zinc/80/53/54/1080805354.db2.gz AVQQQVVQUGPAIW-UHFFFAOYSA-N 1 2 407.536 0.989 20 0 HCADLO CC1(C)CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC[N@@H+]1CCO ZINC000672878398 1080805350 /nfs/dbraw/zinc/80/53/50/1080805350.db2.gz AVQQQVVQUGPAIW-UHFFFAOYSA-N 1 2 407.536 0.989 20 0 HCADLO CC1(C)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC[N@H+]1CCO ZINC000672878424 1080804691 /nfs/dbraw/zinc/80/46/91/1080804691.db2.gz DGMGDMUXEHRERG-UHFFFAOYSA-N 1 2 409.508 0.391 20 0 HCADLO CC1(C)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1CCO ZINC000672878424 1080804688 /nfs/dbraw/zinc/80/46/88/1080804688.db2.gz DGMGDMUXEHRERG-UHFFFAOYSA-N 1 2 409.508 0.391 20 0 HCADLO CC1(C)CN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC[N@H+]1CCO ZINC000672878518 1080805294 /nfs/dbraw/zinc/80/52/94/1080805294.db2.gz IFGBTRKXKKNIBP-UHFFFAOYSA-N 1 2 417.553 0.304 20 0 HCADLO CC1(C)CN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1CCO ZINC000672878518 1080805292 /nfs/dbraw/zinc/80/52/92/1080805292.db2.gz IFGBTRKXKKNIBP-UHFFFAOYSA-N 1 2 417.553 0.304 20 0 HCADLO CC1(C)CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+]1CCO ZINC000672878734 1080808641 /nfs/dbraw/zinc/80/86/41/1080808641.db2.gz QYNUANJNHPLRRI-UHFFFAOYSA-N 1 2 411.524 0.236 20 0 HCADLO CC1(C)CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000672878734 1080808638 /nfs/dbraw/zinc/80/86/38/1080808638.db2.gz QYNUANJNHPLRRI-UHFFFAOYSA-N 1 2 411.524 0.236 20 0 HCADLO CC1(C)CN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC[N@H+]1CCO ZINC000672878736 1080808734 /nfs/dbraw/zinc/80/87/34/1080808734.db2.gz RAKXTNANTRQCTH-UHFFFAOYSA-N 1 2 415.943 0.883 20 0 HCADLO CC1(C)CN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC[N@@H+]1CCO ZINC000672878736 1080808731 /nfs/dbraw/zinc/80/87/31/1080808731.db2.gz RAKXTNANTRQCTH-UHFFFAOYSA-N 1 2 415.943 0.883 20 0 HCADLO Cn1ncnc1COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000672879315 1080805343 /nfs/dbraw/zinc/80/53/43/1080805343.db2.gz KRXDLAVQXOFSRQ-UHFFFAOYSA-N 1 2 409.512 0.471 20 0 HCADLO Cn1ncnc1COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000672879315 1080805341 /nfs/dbraw/zinc/80/53/41/1080805341.db2.gz KRXDLAVQXOFSRQ-UHFFFAOYSA-N 1 2 409.512 0.471 20 0 HCADLO CC1(C)CN(S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC[N@H+]1CCO ZINC000672879398 1080805368 /nfs/dbraw/zinc/80/53/68/1080805368.db2.gz PCBPPNLKUJRLST-KRWDZBQOSA-N 1 2 401.573 0.886 20 0 HCADLO CC1(C)CN(S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC[N@@H+]1CCO ZINC000672879398 1080805367 /nfs/dbraw/zinc/80/53/67/1080805367.db2.gz PCBPPNLKUJRLST-KRWDZBQOSA-N 1 2 401.573 0.886 20 0 HCADLO CC1(C)CN(S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)CC[N@H+]1CCO ZINC000672879399 1080805257 /nfs/dbraw/zinc/80/52/57/1080805257.db2.gz PCBPPNLKUJRLST-QGZVFWFLSA-N 1 2 401.573 0.886 20 0 HCADLO CC1(C)CN(S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)CC[N@@H+]1CCO ZINC000672879399 1080805255 /nfs/dbraw/zinc/80/52/55/1080805255.db2.gz PCBPPNLKUJRLST-QGZVFWFLSA-N 1 2 401.573 0.886 20 0 HCADLO CCC(=O)NCc1cc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccc1OC ZINC000672879423 1080805310 /nfs/dbraw/zinc/80/53/10/1080805310.db2.gz QYSPBIMHDDHHBG-UHFFFAOYSA-N 1 2 413.540 0.799 20 0 HCADLO CCC(=O)NCc1cc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1OC ZINC000672879423 1080805308 /nfs/dbraw/zinc/80/53/08/1080805308.db2.gz QYSPBIMHDDHHBG-UHFFFAOYSA-N 1 2 413.540 0.799 20 0 HCADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1F ZINC000672879462 1080805283 /nfs/dbraw/zinc/80/52/83/1080805283.db2.gz UIWJNRCUOXQTTG-UHFFFAOYSA-N 1 2 423.532 0.665 20 0 HCADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1F ZINC000672879462 1080805281 /nfs/dbraw/zinc/80/52/81/1080805281.db2.gz UIWJNRCUOXQTTG-UHFFFAOYSA-N 1 2 423.532 0.665 20 0 HCADLO O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672897087 1080811054 /nfs/dbraw/zinc/81/10/54/1080811054.db2.gz OCIFOHMDIJKGOV-CYBMUJFWSA-N 1 2 422.869 0.933 20 0 HCADLO O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672897088 1080810907 /nfs/dbraw/zinc/81/09/07/1080810907.db2.gz OCIFOHMDIJKGOV-ZDUSSCGKSA-N 1 2 422.869 0.933 20 0 HCADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000672897104 1080817188 /nfs/dbraw/zinc/81/71/88/1080817188.db2.gz QWGQWSVBFPZQPY-GOSISDBHSA-N 1 2 418.494 0.325 20 0 HCADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000672897105 1080817263 /nfs/dbraw/zinc/81/72/63/1080817263.db2.gz QWGQWSVBFPZQPY-SFHVURJKSA-N 1 2 418.494 0.325 20 0 HCADLO COc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)cc1OC ZINC000672907195 1080816072 /nfs/dbraw/zinc/81/60/72/1080816072.db2.gz ZUBMWYVMINGBGD-UHFFFAOYSA-N 1 2 422.507 0.949 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000672927015 1080823576 /nfs/dbraw/zinc/82/35/76/1080823576.db2.gz WPJRBRLCOMQNTH-CYBMUJFWSA-N 1 2 409.443 0.733 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000672927016 1080823598 /nfs/dbraw/zinc/82/35/98/1080823598.db2.gz WPJRBRLCOMQNTH-ZDUSSCGKSA-N 1 2 409.443 0.733 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1F ZINC000672939941 1080827541 /nfs/dbraw/zinc/82/75/41/1080827541.db2.gz UJGRAQXXEUCDQM-INIZCTEOSA-N 1 2 420.466 0.975 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1F ZINC000672939941 1080827539 /nfs/dbraw/zinc/82/75/39/1080827539.db2.gz UJGRAQXXEUCDQM-INIZCTEOSA-N 1 2 420.466 0.975 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1F ZINC000672939942 1080827577 /nfs/dbraw/zinc/82/75/77/1080827577.db2.gz UJGRAQXXEUCDQM-MRXNPFEDSA-N 1 2 420.466 0.975 20 0 HCADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1F ZINC000672939942 1080827574 /nfs/dbraw/zinc/82/75/74/1080827574.db2.gz UJGRAQXXEUCDQM-MRXNPFEDSA-N 1 2 420.466 0.975 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1csc(-c2ccccc2)n1 ZINC000672973207 1080833148 /nfs/dbraw/zinc/83/31/48/1080833148.db2.gz BCHXKZUBCPDFAO-HNNXBMFYSA-N 1 2 404.492 0.900 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1csc(-c2ccccc2)n1 ZINC000672973208 1080833286 /nfs/dbraw/zinc/83/32/86/1080833286.db2.gz BCHXKZUBCPDFAO-OAHLLOKOSA-N 1 2 404.492 0.900 20 0 HCADLO COC1(CNC(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCOCC1 ZINC000672997087 1080842884 /nfs/dbraw/zinc/84/28/84/1080842884.db2.gz KEAGODARVMTJAI-UHFFFAOYSA-N 1 2 419.526 0.869 20 0 HCADLO O=C(NCCCC1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000673086452 1080873179 /nfs/dbraw/zinc/87/31/79/1080873179.db2.gz LUOHVCJMWTZHAS-UHFFFAOYSA-N 1 2 402.499 0.268 20 0 HCADLO O=C(NCCCC1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000673086452 1080873177 /nfs/dbraw/zinc/87/31/77/1080873177.db2.gz LUOHVCJMWTZHAS-UHFFFAOYSA-N 1 2 402.499 0.268 20 0 HCADLO Cc1nc(C(C)(C)NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)no1 ZINC000673091369 1080875762 /nfs/dbraw/zinc/87/57/62/1080875762.db2.gz VGFMJJYGKBMQLA-UHFFFAOYSA-N 1 2 414.466 0.756 20 0 HCADLO Cn1cc(C(C)(C)NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cn1 ZINC000673092281 1080877053 /nfs/dbraw/zinc/87/70/53/1080877053.db2.gz WQDQSVXKFHGVMO-UHFFFAOYSA-N 1 2 412.494 0.798 20 0 HCADLO Cc1noc(C(C)(C)NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)n1 ZINC000673092721 1080876150 /nfs/dbraw/zinc/87/61/50/1080876150.db2.gz CMOMOBLOLZPTQG-UHFFFAOYSA-N 1 2 414.466 0.756 20 0 HCADLO CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000673094414 1080873484 /nfs/dbraw/zinc/87/34/84/1080873484.db2.gz DGHLCOZZEOSGDK-MSOLQXFVSA-N 1 2 403.527 0.761 20 0 HCADLO CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000673094415 1080873583 /nfs/dbraw/zinc/87/35/83/1080873583.db2.gz DGHLCOZZEOSGDK-QZTJIDSGSA-N 1 2 403.527 0.761 20 0 HCADLO CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000673094416 1080873602 /nfs/dbraw/zinc/87/36/02/1080873602.db2.gz DGHLCOZZEOSGDK-ROUUACIJSA-N 1 2 403.527 0.761 20 0 HCADLO CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000673094419 1080873515 /nfs/dbraw/zinc/87/35/15/1080873515.db2.gz DGHLCOZZEOSGDK-ZWKOTPCHSA-N 1 2 403.527 0.761 20 0 HCADLO C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673109717 1080881269 /nfs/dbraw/zinc/88/12/69/1080881269.db2.gz VUVWFBKGVFJEIG-GXTWGEPZSA-N 1 2 419.404 0.332 20 0 HCADLO C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673109723 1080881224 /nfs/dbraw/zinc/88/12/24/1080881224.db2.gz VUVWFBKGVFJEIG-JSGCOSHPSA-N 1 2 419.404 0.332 20 0 HCADLO C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673109727 1080881258 /nfs/dbraw/zinc/88/12/58/1080881258.db2.gz VUVWFBKGVFJEIG-OCCSQVGLSA-N 1 2 419.404 0.332 20 0 HCADLO C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673109730 1080881196 /nfs/dbraw/zinc/88/11/96/1080881196.db2.gz VUVWFBKGVFJEIG-TZMCWYRMSA-N 1 2 419.404 0.332 20 0 HCADLO C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000673110029 1080881180 /nfs/dbraw/zinc/88/11/80/1080881180.db2.gz VDEQSWLJVFYYKN-CHWSQXEVSA-N 1 2 419.404 0.332 20 0 HCADLO C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000673110031 1080881279 /nfs/dbraw/zinc/88/12/79/1080881279.db2.gz VDEQSWLJVFYYKN-OLZOCXBDSA-N 1 2 419.404 0.332 20 0 HCADLO C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000673110033 1080881254 /nfs/dbraw/zinc/88/12/54/1080881254.db2.gz VDEQSWLJVFYYKN-QWHCGFSZSA-N 1 2 419.404 0.332 20 0 HCADLO C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000673110035 1080881294 /nfs/dbraw/zinc/88/12/94/1080881294.db2.gz VDEQSWLJVFYYKN-STQMWFEESA-N 1 2 419.404 0.332 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCc2cnn3ccccc23)CC1 ZINC000673116721 1080882779 /nfs/dbraw/zinc/88/27/79/1080882779.db2.gz XCRHYPHMPCJRHY-UHFFFAOYSA-N 1 2 420.473 0.977 20 0 HCADLO CNC(=O)c1cccc(CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673121511 1080884271 /nfs/dbraw/zinc/88/42/71/1080884271.db2.gz ZEDZYMXVMNWWJV-GOSISDBHSA-N 1 2 402.495 0.028 20 0 HCADLO CNC(=O)c1cccc(CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673121512 1080884293 /nfs/dbraw/zinc/88/42/93/1080884293.db2.gz ZEDZYMXVMNWWJV-SFHVURJKSA-N 1 2 402.495 0.028 20 0 HCADLO C[C@@H]1COCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000673124622 1080886622 /nfs/dbraw/zinc/88/66/22/1080886622.db2.gz GQRVTTAITOCVJY-CVEARBPZSA-N 1 2 402.495 0.802 20 0 HCADLO C[C@H]1COCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000673124623 1080886729 /nfs/dbraw/zinc/88/67/29/1080886729.db2.gz GQRVTTAITOCVJY-HOTGVXAUSA-N 1 2 402.495 0.802 20 0 HCADLO C[C@@H]1COCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000673124624 1080886710 /nfs/dbraw/zinc/88/67/10/1080886710.db2.gz GQRVTTAITOCVJY-HZPDHXFCSA-N 1 2 402.495 0.802 20 0 HCADLO C[C@H]1COCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000673124625 1080886673 /nfs/dbraw/zinc/88/66/73/1080886673.db2.gz GQRVTTAITOCVJY-JKSUJKDBSA-N 1 2 402.495 0.802 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCOC[C@@H]2CC(F)F)CC1 ZINC000673129183 1080889720 /nfs/dbraw/zinc/88/97/20/1080889720.db2.gz VNAGBZPVAZJBRO-AWEZNQCLSA-N 1 2 424.448 0.895 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCOC[C@H]2CC(F)F)CC1 ZINC000673129184 1080890085 /nfs/dbraw/zinc/89/00/85/1080890085.db2.gz VNAGBZPVAZJBRO-CQSZACIVSA-N 1 2 424.448 0.895 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC3(C2)CCCOC3)CC1 ZINC000673171752 1080899121 /nfs/dbraw/zinc/89/91/21/1080899121.db2.gz XTYOYBVXRJRMEE-UHFFFAOYSA-N 1 2 400.479 0.652 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000673174623 1080900702 /nfs/dbraw/zinc/90/07/02/1080900702.db2.gz LURIWMFKNYXZHX-KRWDZBQOSA-N 1 2 415.494 0.013 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000673174624 1080900636 /nfs/dbraw/zinc/90/06/36/1080900636.db2.gz LURIWMFKNYXZHX-QGZVFWFLSA-N 1 2 415.494 0.013 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000673175673 1080904164 /nfs/dbraw/zinc/90/41/64/1080904164.db2.gz YRGSHROKZJPFIR-KRWDZBQOSA-N 1 2 401.511 0.487 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000673175687 1080903254 /nfs/dbraw/zinc/90/32/54/1080903254.db2.gz YRGSHROKZJPFIR-QGZVFWFLSA-N 1 2 401.511 0.487 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)c2)CC1 ZINC000673175828 1080902466 /nfs/dbraw/zinc/90/24/66/1080902466.db2.gz SCOMKCWGEVVOSW-KRWDZBQOSA-N 1 2 415.494 0.013 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)c2)CC1 ZINC000673175829 1080902152 /nfs/dbraw/zinc/90/21/52/1080902152.db2.gz SCOMKCWGEVVOSW-QGZVFWFLSA-N 1 2 415.494 0.013 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)CC1 ZINC000673175932 1080902661 /nfs/dbraw/zinc/90/26/61/1080902661.db2.gz AYEDMYBUBJHNRH-INIZCTEOSA-N 1 2 415.494 0.013 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)CC1 ZINC000673175933 1080902245 /nfs/dbraw/zinc/90/22/45/1080902245.db2.gz AYEDMYBUBJHNRH-MRXNPFEDSA-N 1 2 415.494 0.013 20 0 HCADLO Cn1cc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(C(F)(F)F)n1 ZINC000673185694 1080913118 /nfs/dbraw/zinc/91/31/18/1080913118.db2.gz AKVLNRXAOHLBQB-CYBMUJFWSA-N 1 2 403.405 0.378 20 0 HCADLO Cn1cc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(C(F)(F)F)n1 ZINC000673185695 1080913323 /nfs/dbraw/zinc/91/33/23/1080913323.db2.gz AKVLNRXAOHLBQB-ZDUSSCGKSA-N 1 2 403.405 0.378 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)c2cnccc2C)CC1 ZINC000673190982 1080917254 /nfs/dbraw/zinc/91/72/54/1080917254.db2.gz NQIMZHRAIHBWJP-KRWDZBQOSA-N 1 2 403.527 0.970 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)c2cnccc2C)CC1 ZINC000673190982 1080917236 /nfs/dbraw/zinc/91/72/36/1080917236.db2.gz NQIMZHRAIHBWJP-KRWDZBQOSA-N 1 2 403.527 0.970 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2cnccc2C)CC1 ZINC000673190983 1080917574 /nfs/dbraw/zinc/91/75/74/1080917574.db2.gz NQIMZHRAIHBWJP-QGZVFWFLSA-N 1 2 403.527 0.970 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2cnccc2C)CC1 ZINC000673190983 1080917551 /nfs/dbraw/zinc/91/75/51/1080917551.db2.gz NQIMZHRAIHBWJP-QGZVFWFLSA-N 1 2 403.527 0.970 20 0 HCADLO Cc1ccncc1[C@H](C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000673193962 1080914041 /nfs/dbraw/zinc/91/40/41/1080914041.db2.gz QPAPGBWPKALPSL-AWEZNQCLSA-N 1 2 408.466 0.593 20 0 HCADLO Cc1ccncc1[C@@H](C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000673193965 1080914113 /nfs/dbraw/zinc/91/41/13/1080914113.db2.gz QPAPGBWPKALPSL-CQSZACIVSA-N 1 2 408.466 0.593 20 0 HCADLO CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673199986 1080916612 /nfs/dbraw/zinc/91/66/12/1080916612.db2.gz MZNKIUMHGFLHKN-IBGZPJMESA-N 1 2 416.522 0.370 20 0 HCADLO CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673199988 1080916378 /nfs/dbraw/zinc/91/63/78/1080916378.db2.gz MZNKIUMHGFLHKN-LJQANCHMSA-N 1 2 416.522 0.370 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)c2)CC1 ZINC000673234800 1080936707 /nfs/dbraw/zinc/93/67/07/1080936707.db2.gz VTIWICZXZUIXKF-GOSISDBHSA-N 1 2 408.524 0.713 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2)CC1 ZINC000673234801 1080937060 /nfs/dbraw/zinc/93/70/60/1080937060.db2.gz VTIWICZXZUIXKF-SFHVURJKSA-N 1 2 408.524 0.713 20 0 HCADLO COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673246312 1080941637 /nfs/dbraw/zinc/94/16/37/1080941637.db2.gz PKJKSBGURSZWJG-APWZRJJASA-N 1 2 405.495 0.902 20 0 HCADLO COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673246313 1080941954 /nfs/dbraw/zinc/94/19/54/1080941954.db2.gz PKJKSBGURSZWJG-LPHOPBHVSA-N 1 2 405.495 0.902 20 0 HCADLO COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673246314 1080941871 /nfs/dbraw/zinc/94/18/71/1080941871.db2.gz PKJKSBGURSZWJG-QFBILLFUSA-N 1 2 405.495 0.902 20 0 HCADLO COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673246315 1080941699 /nfs/dbraw/zinc/94/16/99/1080941699.db2.gz PKJKSBGURSZWJG-VQIMIIECSA-N 1 2 405.495 0.902 20 0 HCADLO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673250370 1080944364 /nfs/dbraw/zinc/94/43/64/1080944364.db2.gz NRNKHXKATIZUKV-DLBZAZTESA-N 1 2 405.495 0.902 20 0 HCADLO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673250371 1080944792 /nfs/dbraw/zinc/94/47/92/1080944792.db2.gz NRNKHXKATIZUKV-IAGOWNOFSA-N 1 2 405.495 0.902 20 0 HCADLO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673250372 1080944878 /nfs/dbraw/zinc/94/48/78/1080944878.db2.gz NRNKHXKATIZUKV-IRXDYDNUSA-N 1 2 405.495 0.902 20 0 HCADLO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673250373 1080944594 /nfs/dbraw/zinc/94/45/94/1080944594.db2.gz NRNKHXKATIZUKV-SJORKVTESA-N 1 2 405.495 0.902 20 0 HCADLO C[C@@H](CCc1cccn1C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000673260034 1080947197 /nfs/dbraw/zinc/94/71/97/1080947197.db2.gz GGSBOLWMUFIZAB-HNNXBMFYSA-N 1 2 424.509 0.488 20 0 HCADLO C[C@H](CCc1cccn1C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000673260035 1080948177 /nfs/dbraw/zinc/94/81/77/1080948177.db2.gz GGSBOLWMUFIZAB-OAHLLOKOSA-N 1 2 424.509 0.488 20 0 HCADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C(=O)N1c1ccccc1 ZINC000673263699 1080953232 /nfs/dbraw/zinc/95/32/32/1080953232.db2.gz BGSLMHHZSMRFES-BHIYHBOVSA-N 1 2 414.506 0.620 20 0 HCADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C(=O)N1c1ccccc1 ZINC000673263700 1080953283 /nfs/dbraw/zinc/95/32/83/1080953283.db2.gz BGSLMHHZSMRFES-NEWSRXKRSA-N 1 2 414.506 0.620 20 0 HCADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C(=O)N1c1ccccc1 ZINC000673263701 1080953669 /nfs/dbraw/zinc/95/36/69/1080953669.db2.gz BGSLMHHZSMRFES-NZSAHSFTSA-N 1 2 414.506 0.620 20 0 HCADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C(=O)N1c1ccccc1 ZINC000673263702 1080953629 /nfs/dbraw/zinc/95/36/29/1080953629.db2.gz BGSLMHHZSMRFES-QRQLOZEOSA-N 1 2 414.506 0.620 20 0 HCADLO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)n1 ZINC000673265891 1080956238 /nfs/dbraw/zinc/95/62/38/1080956238.db2.gz OYFUAGQORSSSAF-GOSISDBHSA-N 1 2 424.505 0.376 20 0 HCADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)n1 ZINC000673265899 1080956063 /nfs/dbraw/zinc/95/60/63/1080956063.db2.gz OYFUAGQORSSSAF-SFHVURJKSA-N 1 2 424.505 0.376 20 0 HCADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)C2=O)n1 ZINC000673266184 1080954933 /nfs/dbraw/zinc/95/49/33/1080954933.db2.gz VSNBVDNAJYMTMY-DLBZAZTESA-N 1 2 410.478 0.335 20 0 HCADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)C2=O)n1 ZINC000673266184 1080954929 /nfs/dbraw/zinc/95/49/29/1080954929.db2.gz VSNBVDNAJYMTMY-DLBZAZTESA-N 1 2 410.478 0.335 20 0 HCADLO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)C2=O)n1 ZINC000673266190 1080954915 /nfs/dbraw/zinc/95/49/15/1080954915.db2.gz VSNBVDNAJYMTMY-IAGOWNOFSA-N 1 2 410.478 0.335 20 0 HCADLO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)C2=O)n1 ZINC000673266190 1080954906 /nfs/dbraw/zinc/95/49/06/1080954906.db2.gz VSNBVDNAJYMTMY-IAGOWNOFSA-N 1 2 410.478 0.335 20 0 HCADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)C2=O)n1 ZINC000673266191 1080955068 /nfs/dbraw/zinc/95/50/68/1080955068.db2.gz VSNBVDNAJYMTMY-IRXDYDNUSA-N 1 2 410.478 0.335 20 0 HCADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)C2=O)n1 ZINC000673266191 1080955064 /nfs/dbraw/zinc/95/50/64/1080955064.db2.gz VSNBVDNAJYMTMY-IRXDYDNUSA-N 1 2 410.478 0.335 20 0 HCADLO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)C2=O)n1 ZINC000673266193 1080956582 /nfs/dbraw/zinc/95/65/82/1080956582.db2.gz VSNBVDNAJYMTMY-SJORKVTESA-N 1 2 410.478 0.335 20 0 HCADLO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)C2=O)n1 ZINC000673266193 1080956570 /nfs/dbraw/zinc/95/65/70/1080956570.db2.gz VSNBVDNAJYMTMY-SJORKVTESA-N 1 2 410.478 0.335 20 0 HCADLO CC(C)C(NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(C)C ZINC000673278901 1080968319 /nfs/dbraw/zinc/96/83/19/1080968319.db2.gz AMASZDZRLZZPCC-UHFFFAOYSA-N 1 2 418.542 0.759 20 0 HCADLO CC(C)C(NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C(C)C ZINC000673278901 1080968308 /nfs/dbraw/zinc/96/83/08/1080968308.db2.gz AMASZDZRLZZPCC-UHFFFAOYSA-N 1 2 418.542 0.759 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000673280202 1080968784 /nfs/dbraw/zinc/96/87/84/1080968784.db2.gz AUTYALDFWIYCQZ-KVSKMBFKSA-N 1 2 416.522 0.679 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000673280202 1080968773 /nfs/dbraw/zinc/96/87/73/1080968773.db2.gz AUTYALDFWIYCQZ-KVSKMBFKSA-N 1 2 416.522 0.679 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000673280203 1080969750 /nfs/dbraw/zinc/96/97/50/1080969750.db2.gz AUTYALDFWIYCQZ-SUMDDJOVSA-N 1 2 416.522 0.679 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000673280203 1080969733 /nfs/dbraw/zinc/96/97/33/1080969733.db2.gz AUTYALDFWIYCQZ-SUMDDJOVSA-N 1 2 416.522 0.679 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000673280204 1080969789 /nfs/dbraw/zinc/96/97/89/1080969789.db2.gz AUTYALDFWIYCQZ-SZVBFZGTSA-N 1 2 416.522 0.679 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000673280204 1080969778 /nfs/dbraw/zinc/96/97/78/1080969778.db2.gz AUTYALDFWIYCQZ-SZVBFZGTSA-N 1 2 416.522 0.679 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000673280205 1080969378 /nfs/dbraw/zinc/96/93/78/1080969378.db2.gz AUTYALDFWIYCQZ-WDYCEAGBSA-N 1 2 416.522 0.679 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000673280205 1080969363 /nfs/dbraw/zinc/96/93/63/1080969363.db2.gz AUTYALDFWIYCQZ-WDYCEAGBSA-N 1 2 416.522 0.679 20 0 HCADLO COc1cc(N2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)ncn1 ZINC000673281163 1080969827 /nfs/dbraw/zinc/96/98/27/1080969827.db2.gz ACAAZMPOUOAPGJ-KRWDZBQOSA-N 1 2 410.478 0.437 20 0 HCADLO COc1cc(N2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)ncn1 ZINC000673281163 1080969818 /nfs/dbraw/zinc/96/98/18/1080969818.db2.gz ACAAZMPOUOAPGJ-KRWDZBQOSA-N 1 2 410.478 0.437 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000673281195 1080969300 /nfs/dbraw/zinc/96/93/00/1080969300.db2.gz IOXKNVBODQRJEG-HRAATJIYSA-N 1 2 413.478 0.126 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000673281195 1080969278 /nfs/dbraw/zinc/96/92/78/1080969278.db2.gz IOXKNVBODQRJEG-HRAATJIYSA-N 1 2 413.478 0.126 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000673281196 1080969640 /nfs/dbraw/zinc/96/96/40/1080969640.db2.gz IOXKNVBODQRJEG-IERDGZPVSA-N 1 2 413.478 0.126 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000673281196 1080969633 /nfs/dbraw/zinc/96/96/33/1080969633.db2.gz IOXKNVBODQRJEG-IERDGZPVSA-N 1 2 413.478 0.126 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000673281197 1080969970 /nfs/dbraw/zinc/96/99/70/1080969970.db2.gz IOXKNVBODQRJEG-IIBYNOLFSA-N 1 2 413.478 0.126 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000673281197 1080969953 /nfs/dbraw/zinc/96/99/53/1080969953.db2.gz IOXKNVBODQRJEG-IIBYNOLFSA-N 1 2 413.478 0.126 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000673281198 1080969426 /nfs/dbraw/zinc/96/94/26/1080969426.db2.gz IOXKNVBODQRJEG-KKSFZXQISA-N 1 2 413.478 0.126 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000673281198 1080969413 /nfs/dbraw/zinc/96/94/13/1080969413.db2.gz IOXKNVBODQRJEG-KKSFZXQISA-N 1 2 413.478 0.126 20 0 HCADLO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)ncn1 ZINC000673281202 1080969500 /nfs/dbraw/zinc/96/95/00/1080969500.db2.gz ACAAZMPOUOAPGJ-QGZVFWFLSA-N 1 2 410.478 0.437 20 0 HCADLO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)ncn1 ZINC000673281202 1080969483 /nfs/dbraw/zinc/96/94/83/1080969483.db2.gz ACAAZMPOUOAPGJ-QGZVFWFLSA-N 1 2 410.478 0.437 20 0 HCADLO CC(C)OCCOC[C@@H](O)CN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673281332 1080964548 /nfs/dbraw/zinc/96/45/48/1080964548.db2.gz CNKDUDXRFGODHL-HKUYNNGSSA-N 1 2 407.511 0.550 20 0 HCADLO CC(C)OCCOC[C@@H](O)CN(C)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673281332 1080964530 /nfs/dbraw/zinc/96/45/30/1080964530.db2.gz CNKDUDXRFGODHL-HKUYNNGSSA-N 1 2 407.511 0.550 20 0 HCADLO CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673281338 1080964610 /nfs/dbraw/zinc/96/46/10/1080964610.db2.gz CNKDUDXRFGODHL-IEBWSBKVSA-N 1 2 407.511 0.550 20 0 HCADLO CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673281338 1080964593 /nfs/dbraw/zinc/96/45/93/1080964593.db2.gz CNKDUDXRFGODHL-IEBWSBKVSA-N 1 2 407.511 0.550 20 0 HCADLO CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673281339 1080965066 /nfs/dbraw/zinc/96/50/66/1080965066.db2.gz CNKDUDXRFGODHL-MJGOQNOKSA-N 1 2 407.511 0.550 20 0 HCADLO CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673281339 1080965046 /nfs/dbraw/zinc/96/50/46/1080965046.db2.gz CNKDUDXRFGODHL-MJGOQNOKSA-N 1 2 407.511 0.550 20 0 HCADLO CC(C)OCCOC[C@@H](O)CN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673281366 1080965154 /nfs/dbraw/zinc/96/51/54/1080965154.db2.gz CNKDUDXRFGODHL-PKOBYXMFSA-N 1 2 407.511 0.550 20 0 HCADLO CC(C)OCCOC[C@@H](O)CN(C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673281366 1080965145 /nfs/dbraw/zinc/96/51/45/1080965145.db2.gz CNKDUDXRFGODHL-PKOBYXMFSA-N 1 2 407.511 0.550 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000673281613 1080965298 /nfs/dbraw/zinc/96/52/98/1080965298.db2.gz JZRMBKYFTQEQRS-GOSISDBHSA-N 1 2 422.489 0.132 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000673281613 1080965282 /nfs/dbraw/zinc/96/52/82/1080965282.db2.gz JZRMBKYFTQEQRS-GOSISDBHSA-N 1 2 422.489 0.132 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000673281614 1080965214 /nfs/dbraw/zinc/96/52/14/1080965214.db2.gz JZRMBKYFTQEQRS-SFHVURJKSA-N 1 2 422.489 0.132 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000673281614 1080965203 /nfs/dbraw/zinc/96/52/03/1080965203.db2.gz JZRMBKYFTQEQRS-SFHVURJKSA-N 1 2 422.489 0.132 20 0 HCADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)n1 ZINC000673281739 1080964787 /nfs/dbraw/zinc/96/47/87/1080964787.db2.gz LEPBFUYDLMJVEM-KRWDZBQOSA-N 1 2 410.478 0.437 20 0 HCADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)n1 ZINC000673281739 1080964761 /nfs/dbraw/zinc/96/47/61/1080964761.db2.gz LEPBFUYDLMJVEM-KRWDZBQOSA-N 1 2 410.478 0.437 20 0 HCADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)n1 ZINC000673281742 1080965254 /nfs/dbraw/zinc/96/52/54/1080965254.db2.gz LEPBFUYDLMJVEM-QGZVFWFLSA-N 1 2 410.478 0.437 20 0 HCADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)n1 ZINC000673281742 1080965239 /nfs/dbraw/zinc/96/52/39/1080965239.db2.gz LEPBFUYDLMJVEM-QGZVFWFLSA-N 1 2 410.478 0.437 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673282069 1080964855 /nfs/dbraw/zinc/96/48/55/1080964855.db2.gz LNAQAOLTVOJAKW-PMACEKPBSA-N 1 2 421.501 0.992 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673282069 1080964839 /nfs/dbraw/zinc/96/48/39/1080964839.db2.gz LNAQAOLTVOJAKW-PMACEKPBSA-N 1 2 421.501 0.992 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673282070 1080964902 /nfs/dbraw/zinc/96/49/02/1080964902.db2.gz LNAQAOLTVOJAKW-UXHICEINSA-N 1 2 421.501 0.992 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673282070 1080964887 /nfs/dbraw/zinc/96/48/87/1080964887.db2.gz LNAQAOLTVOJAKW-UXHICEINSA-N 1 2 421.501 0.992 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673282071 1080965181 /nfs/dbraw/zinc/96/51/81/1080965181.db2.gz LNAQAOLTVOJAKW-VQTJNVASSA-N 1 2 421.501 0.992 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673282071 1080965176 /nfs/dbraw/zinc/96/51/76/1080965176.db2.gz LNAQAOLTVOJAKW-VQTJNVASSA-N 1 2 421.501 0.992 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673282072 1080965015 /nfs/dbraw/zinc/96/50/15/1080965015.db2.gz LNAQAOLTVOJAKW-WOJBJXKFSA-N 1 2 421.501 0.992 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000673282072 1080964997 /nfs/dbraw/zinc/96/49/97/1080964997.db2.gz LNAQAOLTVOJAKW-WOJBJXKFSA-N 1 2 421.501 0.992 20 0 HCADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673282153 1080963819 /nfs/dbraw/zinc/96/38/19/1080963819.db2.gz MWGJPBMRDPMRPD-IBGZPJMESA-N 1 2 415.538 0.302 20 0 HCADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673282153 1080963804 /nfs/dbraw/zinc/96/38/04/1080963804.db2.gz MWGJPBMRDPMRPD-IBGZPJMESA-N 1 2 415.538 0.302 20 0 HCADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673282154 1080963590 /nfs/dbraw/zinc/96/35/90/1080963590.db2.gz MWGJPBMRDPMRPD-LJQANCHMSA-N 1 2 415.538 0.302 20 0 HCADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673282154 1080963576 /nfs/dbraw/zinc/96/35/76/1080963576.db2.gz MWGJPBMRDPMRPD-LJQANCHMSA-N 1 2 415.538 0.302 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000673282977 1080966289 /nfs/dbraw/zinc/96/62/89/1080966289.db2.gz GYHIJSDMZARJKC-AWEZNQCLSA-N 1 2 401.496 0.072 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000673282977 1080966266 /nfs/dbraw/zinc/96/62/66/1080966266.db2.gz GYHIJSDMZARJKC-AWEZNQCLSA-N 1 2 401.496 0.072 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000673282984 1080966688 /nfs/dbraw/zinc/96/66/88/1080966688.db2.gz GYHIJSDMZARJKC-CQSZACIVSA-N 1 2 401.496 0.072 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000673282984 1080966673 /nfs/dbraw/zinc/96/66/73/1080966673.db2.gz GYHIJSDMZARJKC-CQSZACIVSA-N 1 2 401.496 0.072 20 0 HCADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000673283721 1080967290 /nfs/dbraw/zinc/96/72/90/1080967290.db2.gz KEZLDQOLIKYRBX-KVSKMBFKSA-N 1 2 405.495 0.162 20 0 HCADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000673283721 1080967280 /nfs/dbraw/zinc/96/72/80/1080967280.db2.gz KEZLDQOLIKYRBX-KVSKMBFKSA-N 1 2 405.495 0.162 20 0 HCADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000673283722 1080967417 /nfs/dbraw/zinc/96/74/17/1080967417.db2.gz KEZLDQOLIKYRBX-SUMDDJOVSA-N 1 2 405.495 0.162 20 0 HCADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000673283722 1080967404 /nfs/dbraw/zinc/96/74/04/1080967404.db2.gz KEZLDQOLIKYRBX-SUMDDJOVSA-N 1 2 405.495 0.162 20 0 HCADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000673283723 1080967852 /nfs/dbraw/zinc/96/78/52/1080967852.db2.gz KEZLDQOLIKYRBX-SZVBFZGTSA-N 1 2 405.495 0.162 20 0 HCADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000673283723 1080967842 /nfs/dbraw/zinc/96/78/42/1080967842.db2.gz KEZLDQOLIKYRBX-SZVBFZGTSA-N 1 2 405.495 0.162 20 0 HCADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000673283724 1080967922 /nfs/dbraw/zinc/96/79/22/1080967922.db2.gz KEZLDQOLIKYRBX-WDYCEAGBSA-N 1 2 405.495 0.162 20 0 HCADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000673283724 1080967898 /nfs/dbraw/zinc/96/78/98/1080967898.db2.gz KEZLDQOLIKYRBX-WDYCEAGBSA-N 1 2 405.495 0.162 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000673284186 1080965807 /nfs/dbraw/zinc/96/58/07/1080965807.db2.gz KYNKPUZBBCLCFK-MOPGFXCFSA-N 1 2 407.474 0.996 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000673284186 1080965794 /nfs/dbraw/zinc/96/57/94/1080965794.db2.gz KYNKPUZBBCLCFK-MOPGFXCFSA-N 1 2 407.474 0.996 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000673284187 1080966355 /nfs/dbraw/zinc/96/63/55/1080966355.db2.gz KYNKPUZBBCLCFK-OALUTQOASA-N 1 2 407.474 0.996 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000673284187 1080966335 /nfs/dbraw/zinc/96/63/35/1080966335.db2.gz KYNKPUZBBCLCFK-OALUTQOASA-N 1 2 407.474 0.996 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000673284189 1080966495 /nfs/dbraw/zinc/96/64/95/1080966495.db2.gz KYNKPUZBBCLCFK-RBUKOAKNSA-N 1 2 407.474 0.996 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000673284189 1080966474 /nfs/dbraw/zinc/96/64/74/1080966474.db2.gz KYNKPUZBBCLCFK-RBUKOAKNSA-N 1 2 407.474 0.996 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000673284190 1080966632 /nfs/dbraw/zinc/96/66/32/1080966632.db2.gz KYNKPUZBBCLCFK-RTBURBONSA-N 1 2 407.474 0.996 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000673284190 1080966617 /nfs/dbraw/zinc/96/66/17/1080966617.db2.gz KYNKPUZBBCLCFK-RTBURBONSA-N 1 2 407.474 0.996 20 0 HCADLO COCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284551 1080974646 /nfs/dbraw/zinc/97/46/46/1080974646.db2.gz ZDFDQBSDUAOYRE-GOSISDBHSA-N 1 2 402.495 0.433 20 0 HCADLO COCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284551 1080974637 /nfs/dbraw/zinc/97/46/37/1080974637.db2.gz ZDFDQBSDUAOYRE-GOSISDBHSA-N 1 2 402.495 0.433 20 0 HCADLO COCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284555 1080974453 /nfs/dbraw/zinc/97/44/53/1080974453.db2.gz ZDFDQBSDUAOYRE-SFHVURJKSA-N 1 2 402.495 0.433 20 0 HCADLO COCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284555 1080974445 /nfs/dbraw/zinc/97/44/45/1080974445.db2.gz ZDFDQBSDUAOYRE-SFHVURJKSA-N 1 2 402.495 0.433 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000673284978 1080974491 /nfs/dbraw/zinc/97/44/91/1080974491.db2.gz DRSKADUQRXOQGK-GOSISDBHSA-N 1 2 422.489 0.132 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000673284978 1080974478 /nfs/dbraw/zinc/97/44/78/1080974478.db2.gz DRSKADUQRXOQGK-GOSISDBHSA-N 1 2 422.489 0.132 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000673284979 1080974185 /nfs/dbraw/zinc/97/41/85/1080974185.db2.gz DRSKADUQRXOQGK-SFHVURJKSA-N 1 2 422.489 0.132 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000673284979 1080974179 /nfs/dbraw/zinc/97/41/79/1080974179.db2.gz DRSKADUQRXOQGK-SFHVURJKSA-N 1 2 422.489 0.132 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000673285333 1080975223 /nfs/dbraw/zinc/97/52/23/1080975223.db2.gz KZTYGQFJBHKZEU-PBHICJAKSA-N 1 2 408.524 0.077 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000673285333 1080975212 /nfs/dbraw/zinc/97/52/12/1080975212.db2.gz KZTYGQFJBHKZEU-PBHICJAKSA-N 1 2 408.524 0.077 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000673285335 1080975021 /nfs/dbraw/zinc/97/50/21/1080975021.db2.gz KZTYGQFJBHKZEU-RHSMWYFYSA-N 1 2 408.524 0.077 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000673285335 1080975008 /nfs/dbraw/zinc/97/50/08/1080975008.db2.gz KZTYGQFJBHKZEU-RHSMWYFYSA-N 1 2 408.524 0.077 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000673285336 1080975135 /nfs/dbraw/zinc/97/51/35/1080975135.db2.gz KZTYGQFJBHKZEU-WMLDXEAASA-N 1 2 408.524 0.077 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000673285336 1080975131 /nfs/dbraw/zinc/97/51/31/1080975131.db2.gz KZTYGQFJBHKZEU-WMLDXEAASA-N 1 2 408.524 0.077 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000673285337 1080975292 /nfs/dbraw/zinc/97/52/92/1080975292.db2.gz KZTYGQFJBHKZEU-YOEHRIQHSA-N 1 2 408.524 0.077 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000673285337 1080975281 /nfs/dbraw/zinc/97/52/81/1080975281.db2.gz KZTYGQFJBHKZEU-YOEHRIQHSA-N 1 2 408.524 0.077 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000673285913 1080975098 /nfs/dbraw/zinc/97/50/98/1080975098.db2.gz VFKITZHOPLARER-AEFFLSMTSA-N 1 2 420.535 0.316 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000673285913 1080975088 /nfs/dbraw/zinc/97/50/88/1080975088.db2.gz VFKITZHOPLARER-AEFFLSMTSA-N 1 2 420.535 0.316 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000673285914 1080975058 /nfs/dbraw/zinc/97/50/58/1080975058.db2.gz VFKITZHOPLARER-FUHWJXTLSA-N 1 2 420.535 0.316 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000673285914 1080975049 /nfs/dbraw/zinc/97/50/49/1080975049.db2.gz VFKITZHOPLARER-FUHWJXTLSA-N 1 2 420.535 0.316 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000673285915 1080975248 /nfs/dbraw/zinc/97/52/48/1080975248.db2.gz VFKITZHOPLARER-SJLPKXTDSA-N 1 2 420.535 0.316 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000673285915 1080975241 /nfs/dbraw/zinc/97/52/41/1080975241.db2.gz VFKITZHOPLARER-SJLPKXTDSA-N 1 2 420.535 0.316 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000673285916 1080975319 /nfs/dbraw/zinc/97/53/19/1080975319.db2.gz VFKITZHOPLARER-WMZOPIPTSA-N 1 2 420.535 0.316 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000673285916 1080975309 /nfs/dbraw/zinc/97/53/09/1080975309.db2.gz VFKITZHOPLARER-WMZOPIPTSA-N 1 2 420.535 0.316 20 0 HCADLO COc1cc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1OCCO ZINC000673285917 1080975160 /nfs/dbraw/zinc/97/51/60/1080975160.db2.gz VGABFQDNRWRKAY-GOSISDBHSA-N 1 2 413.474 0.985 20 0 HCADLO COc1cc(CNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1OCCO ZINC000673285917 1080975152 /nfs/dbraw/zinc/97/51/52/1080975152.db2.gz VGABFQDNRWRKAY-GOSISDBHSA-N 1 2 413.474 0.985 20 0 HCADLO COc1cc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1OCCO ZINC000673285918 1080975195 /nfs/dbraw/zinc/97/51/95/1080975195.db2.gz VGABFQDNRWRKAY-SFHVURJKSA-N 1 2 413.474 0.985 20 0 HCADLO COc1cc(CNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1OCCO ZINC000673285918 1080975188 /nfs/dbraw/zinc/97/51/88/1080975188.db2.gz VGABFQDNRWRKAY-SFHVURJKSA-N 1 2 413.474 0.985 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC000673286103 1080974287 /nfs/dbraw/zinc/97/42/87/1080974287.db2.gz SWWDPPSEFYCOKZ-KRWDZBQOSA-N 1 2 401.511 0.942 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC000673286103 1080974280 /nfs/dbraw/zinc/97/42/80/1080974280.db2.gz SWWDPPSEFYCOKZ-KRWDZBQOSA-N 1 2 401.511 0.942 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC000673286105 1080974570 /nfs/dbraw/zinc/97/45/70/1080974570.db2.gz SWWDPPSEFYCOKZ-QGZVFWFLSA-N 1 2 401.511 0.942 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC000673286105 1080974557 /nfs/dbraw/zinc/97/45/57/1080974557.db2.gz SWWDPPSEFYCOKZ-QGZVFWFLSA-N 1 2 401.511 0.942 20 0 HCADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673286194 1080974244 /nfs/dbraw/zinc/97/42/44/1080974244.db2.gz UHCCKTJJFRTDLS-APWZRJJASA-N 1 2 415.538 0.348 20 0 HCADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673286194 1080974239 /nfs/dbraw/zinc/97/42/39/1080974239.db2.gz UHCCKTJJFRTDLS-APWZRJJASA-N 1 2 415.538 0.348 20 0 HCADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673286197 1080974418 /nfs/dbraw/zinc/97/44/18/1080974418.db2.gz UHCCKTJJFRTDLS-LPHOPBHVSA-N 1 2 415.538 0.348 20 0 HCADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673286197 1080974406 /nfs/dbraw/zinc/97/44/06/1080974406.db2.gz UHCCKTJJFRTDLS-LPHOPBHVSA-N 1 2 415.538 0.348 20 0 HCADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673286199 1080974133 /nfs/dbraw/zinc/97/41/33/1080974133.db2.gz UHCCKTJJFRTDLS-QFBILLFUSA-N 1 2 415.538 0.348 20 0 HCADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673286199 1080974126 /nfs/dbraw/zinc/97/41/26/1080974126.db2.gz UHCCKTJJFRTDLS-QFBILLFUSA-N 1 2 415.538 0.348 20 0 HCADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673286200 1080974263 /nfs/dbraw/zinc/97/42/63/1080974263.db2.gz UHCCKTJJFRTDLS-VQIMIIECSA-N 1 2 415.538 0.348 20 0 HCADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673286200 1080974256 /nfs/dbraw/zinc/97/42/56/1080974256.db2.gz UHCCKTJJFRTDLS-VQIMIIECSA-N 1 2 415.538 0.348 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673286501 1080970884 /nfs/dbraw/zinc/97/08/84/1080970884.db2.gz VSXZSHPSTVVNCA-GOSISDBHSA-N 1 2 402.495 0.291 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673286501 1080970875 /nfs/dbraw/zinc/97/08/75/1080970875.db2.gz VSXZSHPSTVVNCA-GOSISDBHSA-N 1 2 402.495 0.291 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673286502 1080970952 /nfs/dbraw/zinc/97/09/52/1080970952.db2.gz VSXZSHPSTVVNCA-SFHVURJKSA-N 1 2 402.495 0.291 20 0 HCADLO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673286502 1080970942 /nfs/dbraw/zinc/97/09/42/1080970942.db2.gz VSXZSHPSTVVNCA-SFHVURJKSA-N 1 2 402.495 0.291 20 0 HCADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000673286631 1080970581 /nfs/dbraw/zinc/97/05/81/1080970581.db2.gz XAUYBSRDLYMNQX-MSOLQXFVSA-N 1 2 424.505 0.330 20 0 HCADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000673286631 1080970577 /nfs/dbraw/zinc/97/05/77/1080970577.db2.gz XAUYBSRDLYMNQX-MSOLQXFVSA-N 1 2 424.505 0.330 20 0 HCADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000673286632 1080970726 /nfs/dbraw/zinc/97/07/26/1080970726.db2.gz XAUYBSRDLYMNQX-QZTJIDSGSA-N 1 2 424.505 0.330 20 0 HCADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000673286632 1080970721 /nfs/dbraw/zinc/97/07/21/1080970721.db2.gz XAUYBSRDLYMNQX-QZTJIDSGSA-N 1 2 424.505 0.330 20 0 HCADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000673286633 1080970995 /nfs/dbraw/zinc/97/09/95/1080970995.db2.gz XAUYBSRDLYMNQX-ROUUACIJSA-N 1 2 424.505 0.330 20 0 HCADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000673286633 1080970978 /nfs/dbraw/zinc/97/09/78/1080970978.db2.gz XAUYBSRDLYMNQX-ROUUACIJSA-N 1 2 424.505 0.330 20 0 HCADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000673286634 1080971638 /nfs/dbraw/zinc/97/16/38/1080971638.db2.gz XAUYBSRDLYMNQX-ZWKOTPCHSA-N 1 2 424.505 0.330 20 0 HCADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000673286634 1080971618 /nfs/dbraw/zinc/97/16/18/1080971618.db2.gz XAUYBSRDLYMNQX-ZWKOTPCHSA-N 1 2 424.505 0.330 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000673286897 1080971083 /nfs/dbraw/zinc/97/10/83/1080971083.db2.gz YBEFKOUOBIQKLA-MSOLQXFVSA-N 1 2 400.479 0.139 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000673286897 1080971060 /nfs/dbraw/zinc/97/10/60/1080971060.db2.gz YBEFKOUOBIQKLA-MSOLQXFVSA-N 1 2 400.479 0.139 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000673286899 1080970802 /nfs/dbraw/zinc/97/08/02/1080970802.db2.gz YBEFKOUOBIQKLA-QZTJIDSGSA-N 1 2 400.479 0.139 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000673286899 1080970792 /nfs/dbraw/zinc/97/07/92/1080970792.db2.gz YBEFKOUOBIQKLA-QZTJIDSGSA-N 1 2 400.479 0.139 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000673286901 1080970386 /nfs/dbraw/zinc/97/03/86/1080970386.db2.gz YBEFKOUOBIQKLA-ROUUACIJSA-N 1 2 400.479 0.139 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000673286901 1080970361 /nfs/dbraw/zinc/97/03/61/1080970361.db2.gz YBEFKOUOBIQKLA-ROUUACIJSA-N 1 2 400.479 0.139 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000673286902 1080970648 /nfs/dbraw/zinc/97/06/48/1080970648.db2.gz YBEFKOUOBIQKLA-ZWKOTPCHSA-N 1 2 400.479 0.139 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000673286902 1080970631 /nfs/dbraw/zinc/97/06/31/1080970631.db2.gz YBEFKOUOBIQKLA-ZWKOTPCHSA-N 1 2 400.479 0.139 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000673287695 1080971787 /nfs/dbraw/zinc/97/17/87/1080971787.db2.gz CDMXETYKRIXYRH-IBGZPJMESA-N 1 2 407.474 0.669 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000673287695 1080971766 /nfs/dbraw/zinc/97/17/66/1080971766.db2.gz CDMXETYKRIXYRH-IBGZPJMESA-N 1 2 407.474 0.669 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000673287696 1080971540 /nfs/dbraw/zinc/97/15/40/1080971540.db2.gz CDMXETYKRIXYRH-LJQANCHMSA-N 1 2 407.474 0.669 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000673287696 1080971535 /nfs/dbraw/zinc/97/15/35/1080971535.db2.gz CDMXETYKRIXYRH-LJQANCHMSA-N 1 2 407.474 0.669 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C1 ZINC000673288065 1080971718 /nfs/dbraw/zinc/97/17/18/1080971718.db2.gz HUOBKRDSGKAWMC-AEFFLSMTSA-N 1 2 422.551 0.610 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C1 ZINC000673288065 1080971700 /nfs/dbraw/zinc/97/17/00/1080971700.db2.gz HUOBKRDSGKAWMC-AEFFLSMTSA-N 1 2 422.551 0.610 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1 ZINC000673288066 1080971440 /nfs/dbraw/zinc/97/14/40/1080971440.db2.gz HUOBKRDSGKAWMC-FUHWJXTLSA-N 1 2 422.551 0.610 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1 ZINC000673288066 1080971426 /nfs/dbraw/zinc/97/14/26/1080971426.db2.gz HUOBKRDSGKAWMC-FUHWJXTLSA-N 1 2 422.551 0.610 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C1 ZINC000673288067 1080971957 /nfs/dbraw/zinc/97/19/57/1080971957.db2.gz HUOBKRDSGKAWMC-SJLPKXTDSA-N 1 2 422.551 0.610 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C1 ZINC000673288067 1080971950 /nfs/dbraw/zinc/97/19/50/1080971950.db2.gz HUOBKRDSGKAWMC-SJLPKXTDSA-N 1 2 422.551 0.610 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1 ZINC000673288068 1080971852 /nfs/dbraw/zinc/97/18/52/1080971852.db2.gz HUOBKRDSGKAWMC-WMZOPIPTSA-N 1 2 422.551 0.610 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1 ZINC000673288068 1080971842 /nfs/dbraw/zinc/97/18/42/1080971842.db2.gz HUOBKRDSGKAWMC-WMZOPIPTSA-N 1 2 422.551 0.610 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000673288313 1080972389 /nfs/dbraw/zinc/97/23/89/1080972389.db2.gz JUYWWCAZVUNVPY-IBGZPJMESA-N 1 2 413.522 0.056 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000673288313 1080972382 /nfs/dbraw/zinc/97/23/82/1080972382.db2.gz JUYWWCAZVUNVPY-IBGZPJMESA-N 1 2 413.522 0.056 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000673288314 1080972484 /nfs/dbraw/zinc/97/24/84/1080972484.db2.gz JUYWWCAZVUNVPY-LJQANCHMSA-N 1 2 413.522 0.056 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000673288314 1080972477 /nfs/dbraw/zinc/97/24/77/1080972477.db2.gz JUYWWCAZVUNVPY-LJQANCHMSA-N 1 2 413.522 0.056 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288648 1080972751 /nfs/dbraw/zinc/97/27/51/1080972751.db2.gz OHYHUHSROKVISC-CABCVRRESA-N 1 2 412.412 0.959 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288648 1080972740 /nfs/dbraw/zinc/97/27/40/1080972740.db2.gz OHYHUHSROKVISC-CABCVRRESA-N 1 2 412.412 0.959 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288649 1080972579 /nfs/dbraw/zinc/97/25/79/1080972579.db2.gz OHYHUHSROKVISC-GJZGRUSLSA-N 1 2 412.412 0.959 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288649 1080972571 /nfs/dbraw/zinc/97/25/71/1080972571.db2.gz OHYHUHSROKVISC-GJZGRUSLSA-N 1 2 412.412 0.959 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288650 1080972553 /nfs/dbraw/zinc/97/25/53/1080972553.db2.gz OHYHUHSROKVISC-HUUCEWRRSA-N 1 2 412.412 0.959 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288650 1080972544 /nfs/dbraw/zinc/97/25/44/1080972544.db2.gz OHYHUHSROKVISC-HUUCEWRRSA-N 1 2 412.412 0.959 20 0 HCADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288651 1080972775 /nfs/dbraw/zinc/97/27/75/1080972775.db2.gz OHYHUHSROKVISC-LSDHHAIUSA-N 1 2 412.412 0.959 20 0 HCADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000673288651 1080972766 /nfs/dbraw/zinc/97/27/66/1080972766.db2.gz OHYHUHSROKVISC-LSDHHAIUSA-N 1 2 412.412 0.959 20 0 HCADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673289636 1080973270 /nfs/dbraw/zinc/97/32/70/1080973270.db2.gz ULPODDYNIHZUFX-BEFAXECRSA-N 1 2 413.522 0.101 20 0 HCADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673289636 1080973260 /nfs/dbraw/zinc/97/32/60/1080973260.db2.gz ULPODDYNIHZUFX-BEFAXECRSA-N 1 2 413.522 0.101 20 0 HCADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673289637 1080973758 /nfs/dbraw/zinc/97/37/58/1080973758.db2.gz ULPODDYNIHZUFX-DNVCBOLYSA-N 1 2 413.522 0.101 20 0 HCADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673289637 1080973745 /nfs/dbraw/zinc/97/37/45/1080973745.db2.gz ULPODDYNIHZUFX-DNVCBOLYSA-N 1 2 413.522 0.101 20 0 HCADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673289638 1080973197 /nfs/dbraw/zinc/97/31/97/1080973197.db2.gz ULPODDYNIHZUFX-HNAYVOBHSA-N 1 2 413.522 0.101 20 0 HCADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673289638 1080973184 /nfs/dbraw/zinc/97/31/84/1080973184.db2.gz ULPODDYNIHZUFX-HNAYVOBHSA-N 1 2 413.522 0.101 20 0 HCADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673289639 1080973579 /nfs/dbraw/zinc/97/35/79/1080973579.db2.gz ULPODDYNIHZUFX-KXBFYZLASA-N 1 2 413.522 0.101 20 0 HCADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673289639 1080973555 /nfs/dbraw/zinc/97/35/55/1080973555.db2.gz ULPODDYNIHZUFX-KXBFYZLASA-N 1 2 413.522 0.101 20 0 HCADLO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000673291718 1080976540 /nfs/dbraw/zinc/97/65/40/1080976540.db2.gz HNUKGAFBXZQRJT-CYBMUJFWSA-N 1 2 406.464 0.454 20 0 HCADLO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCc2c[nH+]cn2C1 ZINC000673291719 1080976363 /nfs/dbraw/zinc/97/63/63/1080976363.db2.gz HNUKGAFBXZQRJT-ZDUSSCGKSA-N 1 2 406.464 0.454 20 0 HCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cncc(C(=O)N[C@H]2CCc3cncn3C2)c1 ZINC000673291727 1080976629 /nfs/dbraw/zinc/97/66/29/1080976629.db2.gz IKLBDRJNSWXQSK-CALCHBBNSA-N 1 2 405.462 0.964 20 0 HCADLO O=C(N[C@@H]1CCc2cncn2C1)c1cncc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000673291727 1080976622 /nfs/dbraw/zinc/97/66/22/1080976622.db2.gz IKLBDRJNSWXQSK-CALCHBBNSA-N 1 2 405.462 0.964 20 0 HCADLO O=C(N[C@@H]1CCc2cncn2C1)c1cncc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000673291728 1080976300 /nfs/dbraw/zinc/97/63/00/1080976300.db2.gz IKLBDRJNSWXQSK-IAGOWNOFSA-N 1 2 405.462 0.964 20 0 HCADLO O=C(N[C@H]1CCc2cncn2C1)c1cncc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000673291729 1080976478 /nfs/dbraw/zinc/97/64/78/1080976478.db2.gz IKLBDRJNSWXQSK-IRXDYDNUSA-N 1 2 405.462 0.964 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000673291801 1080975920 /nfs/dbraw/zinc/97/59/20/1080975920.db2.gz UVGURNBEHIHFGD-HNNXBMFYSA-N 1 2 405.480 0.641 20 0 HCADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000673291802 1080975883 /nfs/dbraw/zinc/97/58/83/1080975883.db2.gz UVGURNBEHIHFGD-OAHLLOKOSA-N 1 2 405.480 0.641 20 0 HCADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cccc(C(=O)N[C@H]2CCc3cncn3C2)n1 ZINC000673291804 1080976598 /nfs/dbraw/zinc/97/65/98/1080976598.db2.gz VTEJBJPUPVWTTG-GASCZTMLSA-N 1 2 405.462 0.964 20 0 HCADLO O=C(N[C@@H]1CCc2cncn2C1)c1cccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000673291804 1080976583 /nfs/dbraw/zinc/97/65/83/1080976583.db2.gz VTEJBJPUPVWTTG-GASCZTMLSA-N 1 2 405.462 0.964 20 0 HCADLO O=C(N[C@H]1CCc2cncn2C1)c1cccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000673291805 1080976415 /nfs/dbraw/zinc/97/64/15/1080976415.db2.gz VTEJBJPUPVWTTG-GJZGRUSLSA-N 1 2 405.462 0.964 20 0 HCADLO O=C(N[C@@H]1CCc2cncn2C1)c1cccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000673291806 1080976270 /nfs/dbraw/zinc/97/62/70/1080976270.db2.gz VTEJBJPUPVWTTG-HUUCEWRRSA-N 1 2 405.462 0.964 20 0 HCADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000673296928 1080979456 /nfs/dbraw/zinc/97/94/56/1080979456.db2.gz BFNOURDOPITHNY-MSOLQXFVSA-N 1 2 416.522 0.713 20 0 HCADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000673296929 1080979281 /nfs/dbraw/zinc/97/92/81/1080979281.db2.gz BFNOURDOPITHNY-QZTJIDSGSA-N 1 2 416.522 0.713 20 0 HCADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000673296930 1080979298 /nfs/dbraw/zinc/97/92/98/1080979298.db2.gz BFNOURDOPITHNY-ROUUACIJSA-N 1 2 416.522 0.713 20 0 HCADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000673296931 1080980005 /nfs/dbraw/zinc/98/00/05/1080980005.db2.gz BFNOURDOPITHNY-ZWKOTPCHSA-N 1 2 416.522 0.713 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673299394 1080982285 /nfs/dbraw/zinc/98/22/85/1080982285.db2.gz DCCUQCFVQAHDPF-BBWFWOEESA-N 1 2 417.510 0.166 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673299397 1080982173 /nfs/dbraw/zinc/98/21/73/1080982173.db2.gz DCCUQCFVQAHDPF-BRWVUGGUSA-N 1 2 417.510 0.166 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673299398 1080982106 /nfs/dbraw/zinc/98/21/06/1080982106.db2.gz DCCUQCFVQAHDPF-GVDBMIGSSA-N 1 2 417.510 0.166 20 0 HCADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673299399 1080982320 /nfs/dbraw/zinc/98/23/20/1080982320.db2.gz DCCUQCFVQAHDPF-ZACQAIPSSA-N 1 2 417.510 0.166 20 0 HCADLO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000673299489 1080981993 /nfs/dbraw/zinc/98/19/93/1080981993.db2.gz FEBAQTUDKBTHPJ-CVEARBPZSA-N 1 2 400.508 0.827 20 0 HCADLO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000673299490 1080982012 /nfs/dbraw/zinc/98/20/12/1080982012.db2.gz FEBAQTUDKBTHPJ-HOTGVXAUSA-N 1 2 400.508 0.827 20 0 HCADLO Cn1cc([C@H]2CSCCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000673299491 1080982206 /nfs/dbraw/zinc/98/22/06/1080982206.db2.gz FEBAQTUDKBTHPJ-HZPDHXFCSA-N 1 2 400.508 0.827 20 0 HCADLO Cn1cc([C@H]2CSCCN2C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000673299492 1080982301 /nfs/dbraw/zinc/98/23/01/1080982301.db2.gz FEBAQTUDKBTHPJ-JKSUJKDBSA-N 1 2 400.508 0.827 20 0 HCADLO Cc1cc(C)nc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673300103 1080981311 /nfs/dbraw/zinc/98/13/11/1080981311.db2.gz CNQGNEAKGFTUKL-KRWDZBQOSA-N 1 2 409.494 0.532 20 0 HCADLO Cc1cc(C)nc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673300104 1080981349 /nfs/dbraw/zinc/98/13/49/1080981349.db2.gz CNQGNEAKGFTUKL-QGZVFWFLSA-N 1 2 409.494 0.532 20 0 HCADLO CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673300560 1080978636 /nfs/dbraw/zinc/97/86/36/1080978636.db2.gz FRWWYIOSHJKGBZ-MOPGFXCFSA-N 1 2 412.490 0.813 20 0 HCADLO CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673300561 1080978745 /nfs/dbraw/zinc/97/87/45/1080978745.db2.gz FRWWYIOSHJKGBZ-OALUTQOASA-N 1 2 412.490 0.813 20 0 HCADLO CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673300562 1080978707 /nfs/dbraw/zinc/97/87/07/1080978707.db2.gz FRWWYIOSHJKGBZ-RBUKOAKNSA-N 1 2 412.490 0.813 20 0 HCADLO CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673300563 1080978486 /nfs/dbraw/zinc/97/84/86/1080978486.db2.gz FRWWYIOSHJKGBZ-RTBURBONSA-N 1 2 412.490 0.813 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000673300992 1080982271 /nfs/dbraw/zinc/98/22/71/1080982271.db2.gz RXGQITSVWOLJPH-DLBZAZTESA-N 1 2 402.495 0.821 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000673300994 1080982092 /nfs/dbraw/zinc/98/20/92/1080982092.db2.gz RXGQITSVWOLJPH-IAGOWNOFSA-N 1 2 402.495 0.821 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000673300995 1080982336 /nfs/dbraw/zinc/98/23/36/1080982336.db2.gz RXGQITSVWOLJPH-IRXDYDNUSA-N 1 2 402.495 0.821 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000673300997 1080982034 /nfs/dbraw/zinc/98/20/34/1080982034.db2.gz RXGQITSVWOLJPH-SJORKVTESA-N 1 2 402.495 0.821 20 0 HCADLO CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673301086 1080982224 /nfs/dbraw/zinc/98/22/24/1080982224.db2.gz TXYZHGUKIPCEOS-INIZCTEOSA-N 1 2 416.503 0.839 20 0 HCADLO CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673301093 1080982078 /nfs/dbraw/zinc/98/20/78/1080982078.db2.gz TXYZHGUKIPCEOS-MRXNPFEDSA-N 1 2 416.503 0.839 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000673301421 1080982962 /nfs/dbraw/zinc/98/29/62/1080982962.db2.gz DFPKSWLHNVXIHX-BZLDKRAPSA-N 1 2 402.495 0.962 20 0 HCADLO C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C[C@H](C)O2 ZINC000673301423 1080982897 /nfs/dbraw/zinc/98/28/97/1080982897.db2.gz DFPKSWLHNVXIHX-KYFSNAEOSA-N 1 2 402.495 0.962 20 0 HCADLO C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)C[C@H](C)O2 ZINC000673301424 1080982832 /nfs/dbraw/zinc/98/28/32/1080982832.db2.gz DFPKSWLHNVXIHX-MXTNKPTQSA-N 1 2 402.495 0.962 20 0 HCADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000673301425 1080983103 /nfs/dbraw/zinc/98/31/03/1080983103.db2.gz DFPKSWLHNVXIHX-PZTGFMGMSA-N 1 2 402.495 0.962 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000673301514 1080984200 /nfs/dbraw/zinc/98/42/00/1080984200.db2.gz FCJKEQXONPZSGK-GFCCVEGCSA-N 1 2 408.505 0.558 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000673301515 1080983855 /nfs/dbraw/zinc/98/38/55/1080983855.db2.gz FCJKEQXONPZSGK-LBPRGKRZSA-N 1 2 408.505 0.558 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000673301593 1080982996 /nfs/dbraw/zinc/98/29/96/1080982996.db2.gz XKXWITIOOLEFJD-CYBMUJFWSA-N 1 2 417.407 0.821 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000673301603 1080983018 /nfs/dbraw/zinc/98/30/18/1080983018.db2.gz XKXWITIOOLEFJD-ZDUSSCGKSA-N 1 2 417.407 0.821 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCN(c2nccs2)CC1 ZINC000673301624 1080982805 /nfs/dbraw/zinc/98/28/05/1080982805.db2.gz XPGAYEQPVMGDHB-HNNXBMFYSA-N 1 2 400.508 0.972 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCN(c2nccs2)CC1 ZINC000673301625 1080982934 /nfs/dbraw/zinc/98/29/34/1080982934.db2.gz XPGAYEQPVMGDHB-OAHLLOKOSA-N 1 2 400.508 0.972 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000673301698 1080995142 /nfs/dbraw/zinc/99/51/42/1080995142.db2.gz YJRYVGAQEQJPOB-INIZCTEOSA-N 1 2 409.494 0.726 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000673301699 1080994637 /nfs/dbraw/zinc/99/46/37/1080994637.db2.gz YJRYVGAQEQJPOB-MRXNPFEDSA-N 1 2 409.494 0.726 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000673301734 1080995077 /nfs/dbraw/zinc/99/50/77/1080995077.db2.gz ZOSFTCOCHAVMST-MSOLQXFVSA-N 1 2 422.489 0.479 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000673301735 1080994555 /nfs/dbraw/zinc/99/45/55/1080994555.db2.gz ZOSFTCOCHAVMST-QZTJIDSGSA-N 1 2 422.489 0.479 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000673301736 1080994403 /nfs/dbraw/zinc/99/44/03/1080994403.db2.gz ZOSFTCOCHAVMST-ROUUACIJSA-N 1 2 422.489 0.479 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000673301737 1080994930 /nfs/dbraw/zinc/99/49/30/1080994930.db2.gz ZOSFTCOCHAVMST-ZWKOTPCHSA-N 1 2 422.489 0.479 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000673301829 1080992428 /nfs/dbraw/zinc/99/24/28/1080992428.db2.gz HETJDCCXXSABHH-DOTOQJQBSA-N 1 2 408.462 0.483 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000673301832 1080993177 /nfs/dbraw/zinc/99/31/77/1080993177.db2.gz HETJDCCXXSABHH-NVXWUHKLSA-N 1 2 408.462 0.483 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000673301833 1080992642 /nfs/dbraw/zinc/99/26/42/1080992642.db2.gz HETJDCCXXSABHH-RDJZCZTQSA-N 1 2 408.462 0.483 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000673301834 1080992770 /nfs/dbraw/zinc/99/27/70/1080992770.db2.gz HETJDCCXXSABHH-WBVHZDCISA-N 1 2 408.462 0.483 20 0 HCADLO Cc1nc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)oc1C ZINC000673301865 1080992566 /nfs/dbraw/zinc/99/25/66/1080992566.db2.gz HTYVZLQKLYRSMB-KRWDZBQOSA-N 1 2 412.494 0.726 20 0 HCADLO Cc1nc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)oc1C ZINC000673301867 1080993054 /nfs/dbraw/zinc/99/30/54/1080993054.db2.gz HTYVZLQKLYRSMB-QGZVFWFLSA-N 1 2 412.494 0.726 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000673301873 1080993909 /nfs/dbraw/zinc/99/39/09/1080993909.db2.gz OQRYRQMWXMVKSL-HNNXBMFYSA-N 1 2 400.508 0.577 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000673301880 1080994048 /nfs/dbraw/zinc/99/40/48/1080994048.db2.gz OQRYRQMWXMVKSL-OAHLLOKOSA-N 1 2 400.508 0.577 20 0 HCADLO Cc1nc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)cs1 ZINC000673301981 1080992876 /nfs/dbraw/zinc/99/28/76/1080992876.db2.gz JFZKCHCAQNKFAR-INIZCTEOSA-N 1 2 414.535 0.886 20 0 HCADLO Cc1nc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)cs1 ZINC000673301982 1080992531 /nfs/dbraw/zinc/99/25/31/1080992531.db2.gz JFZKCHCAQNKFAR-MRXNPFEDSA-N 1 2 414.535 0.886 20 0 HCADLO CCOc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673302090 1080993160 /nfs/dbraw/zinc/99/31/60/1080993160.db2.gz RCHFPHXQMUIYOP-KRWDZBQOSA-N 1 2 424.505 0.919 20 0 HCADLO CCOc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673302093 1080993011 /nfs/dbraw/zinc/99/30/11/1080993011.db2.gz RCHFPHXQMUIYOP-QGZVFWFLSA-N 1 2 424.505 0.919 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302276 1080986322 /nfs/dbraw/zinc/98/63/22/1080986322.db2.gz UICBLHIJLVBGSR-HNNXBMFYSA-N 1 2 402.499 0.429 20 0 HCADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302277 1080985836 /nfs/dbraw/zinc/98/58/36/1080985836.db2.gz UICBLHIJLVBGSR-OAHLLOKOSA-N 1 2 402.499 0.429 20 0 HCADLO CN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCN(c2cnccn2)CC1 ZINC000673302425 1080984747 /nfs/dbraw/zinc/98/47/47/1080984747.db2.gz XNTUTJCPUZNDSJ-INIZCTEOSA-N 1 2 409.494 0.694 20 0 HCADLO CN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCN(c2cnccn2)CC1 ZINC000673302426 1080985172 /nfs/dbraw/zinc/98/51/72/1080985172.db2.gz XNTUTJCPUZNDSJ-MRXNPFEDSA-N 1 2 409.494 0.694 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000673302463 1080985215 /nfs/dbraw/zinc/98/52/15/1080985215.db2.gz OBQLOYMFXDVIJJ-IBGZPJMESA-N 1 2 423.517 1.000 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000673302464 1080985261 /nfs/dbraw/zinc/98/52/61/1080985261.db2.gz OBQLOYMFXDVIJJ-LJQANCHMSA-N 1 2 423.517 1.000 20 0 HCADLO CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000673302709 1080985377 /nfs/dbraw/zinc/98/53/77/1080985377.db2.gz UGMPMDBCPACUQZ-KBPBESRZSA-N 1 2 402.455 0.916 20 0 HCADLO CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000673302710 1080985309 /nfs/dbraw/zinc/98/53/09/1080985309.db2.gz UGMPMDBCPACUQZ-KGLIPLIRSA-N 1 2 402.455 0.916 20 0 HCADLO CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000673302711 1080984548 /nfs/dbraw/zinc/98/45/48/1080984548.db2.gz UGMPMDBCPACUQZ-UONOGXRCSA-N 1 2 402.455 0.916 20 0 HCADLO CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000673302712 1080984522 /nfs/dbraw/zinc/98/45/22/1080984522.db2.gz UGMPMDBCPACUQZ-ZIAGYGMSSA-N 1 2 402.455 0.916 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000673302721 1080984862 /nfs/dbraw/zinc/98/48/62/1080984862.db2.gz VAFJHBJVIXEHTR-GOSISDBHSA-N 1 2 407.474 0.761 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000673302722 1080985338 /nfs/dbraw/zinc/98/53/38/1080985338.db2.gz VAFJHBJVIXEHTR-SFHVURJKSA-N 1 2 407.474 0.761 20 0 HCADLO CCN(CC)C(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302855 1080983659 /nfs/dbraw/zinc/98/36/59/1080983659.db2.gz YMKMXFBGZNTZIC-KRWDZBQOSA-N 1 2 401.511 0.884 20 0 HCADLO CCN(CC)C(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302856 1080983843 /nfs/dbraw/zinc/98/38/43/1080983843.db2.gz YMKMXFBGZNTZIC-QGZVFWFLSA-N 1 2 401.511 0.884 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000673303039 1080984091 /nfs/dbraw/zinc/98/40/91/1080984091.db2.gz CTVGZSQGFUYROA-MSOLQXFVSA-N 1 2 401.511 0.490 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000673303040 1080984140 /nfs/dbraw/zinc/98/41/40/1080984140.db2.gz CTVGZSQGFUYROA-QZTJIDSGSA-N 1 2 401.511 0.490 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000673303041 1080983954 /nfs/dbraw/zinc/98/39/54/1080983954.db2.gz CTVGZSQGFUYROA-ROUUACIJSA-N 1 2 401.511 0.490 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000673303042 1080983757 /nfs/dbraw/zinc/98/37/57/1080983757.db2.gz CTVGZSQGFUYROA-ZWKOTPCHSA-N 1 2 401.511 0.490 20 0 HCADLO CCc1nsc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673303135 1080983540 /nfs/dbraw/zinc/98/35/40/1080983540.db2.gz FECUZLSODDXRAM-AWEZNQCLSA-N 1 2 415.523 0.539 20 0 HCADLO CCc1nsc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673303136 1080983788 /nfs/dbraw/zinc/98/37/88/1080983788.db2.gz FECUZLSODDXRAM-CQSZACIVSA-N 1 2 415.523 0.539 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000673303160 1080983816 /nfs/dbraw/zinc/98/38/16/1080983816.db2.gz BEOGNLKXNGOFCZ-INIZCTEOSA-N 1 2 409.494 0.720 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000673303161 1080984244 /nfs/dbraw/zinc/98/42/44/1080984244.db2.gz BEOGNLKXNGOFCZ-MRXNPFEDSA-N 1 2 409.494 0.720 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000673303208 1080983992 /nfs/dbraw/zinc/98/39/92/1080983992.db2.gz DLEAVOLVICSGBN-MSOLQXFVSA-N 1 2 407.474 0.866 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000673303209 1080983724 /nfs/dbraw/zinc/98/37/24/1080983724.db2.gz DLEAVOLVICSGBN-QZTJIDSGSA-N 1 2 407.474 0.866 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000673303210 1080983638 /nfs/dbraw/zinc/98/36/38/1080983638.db2.gz DLEAVOLVICSGBN-ROUUACIJSA-N 1 2 407.474 0.866 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000673303211 1080984030 /nfs/dbraw/zinc/98/40/30/1080984030.db2.gz DLEAVOLVICSGBN-ZWKOTPCHSA-N 1 2 407.474 0.866 20 0 HCADLO COc1cc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1OCCO ZINC000673303412 1080988076 /nfs/dbraw/zinc/98/80/76/1080988076.db2.gz IRSMTEFFYYCLTA-INIZCTEOSA-N 1 2 414.462 0.473 20 0 HCADLO COc1cc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1OCCO ZINC000673303413 1080988539 /nfs/dbraw/zinc/98/85/39/1080988539.db2.gz IRSMTEFFYYCLTA-MRXNPFEDSA-N 1 2 414.462 0.473 20 0 HCADLO CCc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)ncn1 ZINC000673303475 1080988310 /nfs/dbraw/zinc/98/83/10/1080988310.db2.gz LGTLRVMQLQZIIU-GOSISDBHSA-N 1 2 423.521 0.914 20 0 HCADLO Cc1nsc(N2CCCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673303524 1080988273 /nfs/dbraw/zinc/98/82/73/1080988273.db2.gz HTCCAJJIWVXYSR-HNNXBMFYSA-N 1 2 415.523 0.675 20 0 HCADLO Cc1nsc(N2CCCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673303526 1080988578 /nfs/dbraw/zinc/98/85/78/1080988578.db2.gz HTCCAJJIWVXYSR-OAHLLOKOSA-N 1 2 415.523 0.675 20 0 HCADLO CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673303527 1080988115 /nfs/dbraw/zinc/98/81/15/1080988115.db2.gz HUJSHJYWQAXKBH-DLBZAZTESA-N 1 2 401.511 0.931 20 0 HCADLO CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673303528 1080988621 /nfs/dbraw/zinc/98/86/21/1080988621.db2.gz HUJSHJYWQAXKBH-IAGOWNOFSA-N 1 2 401.511 0.931 20 0 HCADLO CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673303530 1080988349 /nfs/dbraw/zinc/98/83/49/1080988349.db2.gz HUJSHJYWQAXKBH-IRXDYDNUSA-N 1 2 401.511 0.931 20 0 HCADLO CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673303531 1080988704 /nfs/dbraw/zinc/98/87/04/1080988704.db2.gz HUJSHJYWQAXKBH-SJORKVTESA-N 1 2 401.511 0.931 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000673303564 1080988439 /nfs/dbraw/zinc/98/84/39/1080988439.db2.gz IITLMXZGBJOUFB-INIZCTEOSA-N 1 2 413.503 0.823 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000673303565 1080988224 /nfs/dbraw/zinc/98/82/24/1080988224.db2.gz IITLMXZGBJOUFB-MRXNPFEDSA-N 1 2 413.503 0.823 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000673303591 1080987559 /nfs/dbraw/zinc/98/75/59/1080987559.db2.gz IXFNLFSYHLIBMC-CHWSQXEVSA-N 1 2 413.400 0.446 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000673303592 1080987264 /nfs/dbraw/zinc/98/72/64/1080987264.db2.gz IXFNLFSYHLIBMC-OLZOCXBDSA-N 1 2 413.400 0.446 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000673303593 1080987086 /nfs/dbraw/zinc/98/70/86/1080987086.db2.gz IXFNLFSYHLIBMC-QWHCGFSZSA-N 1 2 413.400 0.446 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000673303594 1080986997 /nfs/dbraw/zinc/98/69/97/1080986997.db2.gz IXFNLFSYHLIBMC-STQMWFEESA-N 1 2 413.400 0.446 20 0 HCADLO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)n(C)n1 ZINC000673303603 1080987136 /nfs/dbraw/zinc/98/71/36/1080987136.db2.gz IYRKCVLRYCYVDF-DLBZAZTESA-N 1 2 411.510 0.604 20 0 HCADLO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)n(C)n1 ZINC000673303604 1080986830 /nfs/dbraw/zinc/98/68/30/1080986830.db2.gz IYRKCVLRYCYVDF-IAGOWNOFSA-N 1 2 411.510 0.604 20 0 HCADLO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)n(C)n1 ZINC000673303605 1080987416 /nfs/dbraw/zinc/98/74/16/1080987416.db2.gz IYRKCVLRYCYVDF-IRXDYDNUSA-N 1 2 411.510 0.604 20 0 HCADLO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)n(C)n1 ZINC000673303606 1080987608 /nfs/dbraw/zinc/98/76/08/1080987608.db2.gz IYRKCVLRYCYVDF-SJORKVTESA-N 1 2 411.510 0.604 20 0 HCADLO CCc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)ncn1 ZINC000673303641 1080987031 /nfs/dbraw/zinc/98/70/31/1080987031.db2.gz LGTLRVMQLQZIIU-SFHVURJKSA-N 1 2 423.521 0.914 20 0 HCADLO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673303656 1080987219 /nfs/dbraw/zinc/98/72/19/1080987219.db2.gz LPIZVSFKXGWFFI-DLBZAZTESA-N 1 2 401.511 0.787 20 0 HCADLO CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673303657 1080987490 /nfs/dbraw/zinc/98/74/90/1080987490.db2.gz LPIZVSFKXGWFFI-IAGOWNOFSA-N 1 2 401.511 0.787 20 0 HCADLO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673303658 1080986793 /nfs/dbraw/zinc/98/67/93/1080986793.db2.gz LPIZVSFKXGWFFI-IRXDYDNUSA-N 1 2 401.511 0.787 20 0 HCADLO CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673303659 1080987449 /nfs/dbraw/zinc/98/74/49/1080987449.db2.gz LPIZVSFKXGWFFI-SJORKVTESA-N 1 2 401.511 0.787 20 0 HCADLO Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673303676 1080987529 /nfs/dbraw/zinc/98/75/29/1080987529.db2.gz MEXOHWOCCHNCBK-DLBZAZTESA-N 1 2 412.494 0.727 20 0 HCADLO Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673303677 1080987183 /nfs/dbraw/zinc/98/71/83/1080987183.db2.gz MEXOHWOCCHNCBK-IAGOWNOFSA-N 1 2 412.494 0.727 20 0 HCADLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673303678 1080987378 /nfs/dbraw/zinc/98/73/78/1080987378.db2.gz MEXOHWOCCHNCBK-IRXDYDNUSA-N 1 2 412.494 0.727 20 0 HCADLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673303679 1080988497 /nfs/dbraw/zinc/98/84/97/1080988497.db2.gz MEXOHWOCCHNCBK-SJORKVTESA-N 1 2 412.494 0.727 20 0 HCADLO Cc1csc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673304053 1080986113 /nfs/dbraw/zinc/98/61/13/1080986113.db2.gz UPCLUPJXWAHEGB-HNNXBMFYSA-N 1 2 400.508 0.890 20 0 HCADLO Cc1csc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673304054 1080985993 /nfs/dbraw/zinc/98/59/93/1080985993.db2.gz UPCLUPJXWAHEGB-OAHLLOKOSA-N 1 2 400.508 0.890 20 0 HCADLO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304213 1080985654 /nfs/dbraw/zinc/98/56/54/1080985654.db2.gz XLQKTWFSQKCGTI-CVEARBPZSA-N 1 2 423.539 0.097 20 0 HCADLO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304214 1080985753 /nfs/dbraw/zinc/98/57/53/1080985753.db2.gz XLQKTWFSQKCGTI-HOTGVXAUSA-N 1 2 423.539 0.097 20 0 HCADLO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304215 1080986037 /nfs/dbraw/zinc/98/60/37/1080986037.db2.gz XLQKTWFSQKCGTI-HZPDHXFCSA-N 1 2 423.539 0.097 20 0 HCADLO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304216 1080986197 /nfs/dbraw/zinc/98/61/97/1080986197.db2.gz XLQKTWFSQKCGTI-JKSUJKDBSA-N 1 2 423.539 0.097 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000673304691 1080989742 /nfs/dbraw/zinc/98/97/42/1080989742.db2.gz WPIXRYWKOJBLEF-INIZCTEOSA-N 1 2 414.535 0.968 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000673304692 1080990146 /nfs/dbraw/zinc/99/01/46/1080990146.db2.gz WPIXRYWKOJBLEF-MRXNPFEDSA-N 1 2 414.535 0.968 20 0 HCADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000673304827 1080988746 /nfs/dbraw/zinc/98/87/46/1080988746.db2.gz ZFEURFVHMHJKHD-INIZCTEOSA-N 1 2 408.462 0.156 20 0 HCADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000673304828 1080988186 /nfs/dbraw/zinc/98/81/86/1080988186.db2.gz ZFEURFVHMHJKHD-MRXNPFEDSA-N 1 2 408.462 0.156 20 0 HCADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)C[C@H](C)O1 ZINC000673306324 1080991581 /nfs/dbraw/zinc/99/15/81/1080991581.db2.gz SCPZHALNYOIWCO-SCTDSRPQSA-N 1 2 422.570 0.851 20 0 HCADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)C[C@H](C)O1 ZINC000673306324 1080991563 /nfs/dbraw/zinc/99/15/63/1080991563.db2.gz SCPZHALNYOIWCO-SCTDSRPQSA-N 1 2 422.570 0.851 20 0 HCADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)C[C@H](C)O1 ZINC000673306325 1080991758 /nfs/dbraw/zinc/99/17/58/1080991758.db2.gz SCPZHALNYOIWCO-ZIFCJYIRSA-N 1 2 422.570 0.851 20 0 HCADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)C[C@H](C)O1 ZINC000673306325 1080991746 /nfs/dbraw/zinc/99/17/46/1080991746.db2.gz SCPZHALNYOIWCO-ZIFCJYIRSA-N 1 2 422.570 0.851 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000673306966 1080991401 /nfs/dbraw/zinc/99/14/01/1080991401.db2.gz IACVZANDJRHIDP-CYBMUJFWSA-N 1 2 415.537 0.091 20 0 HCADLO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000673306967 1080991819 /nfs/dbraw/zinc/99/18/19/1080991819.db2.gz IACVZANDJRHIDP-ZDUSSCGKSA-N 1 2 415.537 0.091 20 0 HCADLO CNC(=O)C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000673318061 1080997910 /nfs/dbraw/zinc/99/79/10/1080997910.db2.gz VQVYDKLZCZQELJ-MSOLQXFVSA-N 1 2 402.495 0.303 20 0 HCADLO CNC(=O)C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000673318062 1080998316 /nfs/dbraw/zinc/99/83/16/1080998316.db2.gz VQVYDKLZCZQELJ-QZTJIDSGSA-N 1 2 402.495 0.303 20 0 HCADLO CNC(=O)C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000673318063 1080998468 /nfs/dbraw/zinc/99/84/68/1080998468.db2.gz VQVYDKLZCZQELJ-ROUUACIJSA-N 1 2 402.495 0.303 20 0 HCADLO CNC(=O)C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000673318064 1080998547 /nfs/dbraw/zinc/99/85/47/1080998547.db2.gz VQVYDKLZCZQELJ-ZWKOTPCHSA-N 1 2 402.495 0.303 20 0 HCADLO CNC(=O)C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000673318973 1081002062 /nfs/dbraw/zinc/00/20/62/1081002062.db2.gz IWLJMMBQZSVDOG-MOPGFXCFSA-N 1 2 416.522 0.693 20 0 HCADLO CNC(=O)C[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000673318974 1081002088 /nfs/dbraw/zinc/00/20/88/1081002088.db2.gz IWLJMMBQZSVDOG-OALUTQOASA-N 1 2 416.522 0.693 20 0 HCADLO CNC(=O)C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000673318975 1081002164 /nfs/dbraw/zinc/00/21/64/1081002164.db2.gz IWLJMMBQZSVDOG-RBUKOAKNSA-N 1 2 416.522 0.693 20 0 HCADLO CNC(=O)C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000673318976 1081002677 /nfs/dbraw/zinc/00/26/77/1081002677.db2.gz IWLJMMBQZSVDOG-RTBURBONSA-N 1 2 416.522 0.693 20 0 HCADLO O=C(NC1CCN(c2cccnn2)CC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673323412 1081000273 /nfs/dbraw/zinc/00/02/73/1081000273.db2.gz LJBCBOOXZFPVIS-UHFFFAOYSA-N 1 2 408.506 0.906 20 0 HCADLO O=C(NCC1CCN(CC(F)(F)F)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673327122 1081000822 /nfs/dbraw/zinc/00/08/22/1081000822.db2.gz MKXJDPWJRBOMEP-INIZCTEOSA-N 1 2 420.476 0.700 20 0 HCADLO O=C(NCC1CCN(CC(F)(F)F)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673327123 1081000944 /nfs/dbraw/zinc/00/09/44/1081000944.db2.gz MKXJDPWJRBOMEP-MRXNPFEDSA-N 1 2 420.476 0.700 20 0 HCADLO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673327805 1081001233 /nfs/dbraw/zinc/00/12/33/1081001233.db2.gz BTQIOAHNKLXSGA-CVEARBPZSA-N 1 2 421.929 0.753 20 0 HCADLO O=C(N[C@H]1CCN(c2ncccc2Cl)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673327806 1081001755 /nfs/dbraw/zinc/00/17/55/1081001755.db2.gz BTQIOAHNKLXSGA-HOTGVXAUSA-N 1 2 421.929 0.753 20 0 HCADLO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673327807 1081001678 /nfs/dbraw/zinc/00/16/78/1081001678.db2.gz BTQIOAHNKLXSGA-HZPDHXFCSA-N 1 2 421.929 0.753 20 0 HCADLO O=C(N[C@H]1CCN(c2ncccc2Cl)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673327808 1081001731 /nfs/dbraw/zinc/00/17/31/1081001731.db2.gz BTQIOAHNKLXSGA-JKSUJKDBSA-N 1 2 421.929 0.753 20 0 HCADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C2=O)n(C)n1 ZINC000673331482 1081005619 /nfs/dbraw/zinc/00/56/19/1081005619.db2.gz GPTUALWTJKLOQQ-KRWDZBQOSA-N 1 2 410.478 0.082 20 0 HCADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C2=O)n(C)n1 ZINC000673331483 1081005437 /nfs/dbraw/zinc/00/54/37/1081005437.db2.gz GPTUALWTJKLOQQ-QGZVFWFLSA-N 1 2 410.478 0.082 20 0 HCADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)C2=O)n(C)n1 ZINC000673333803 1081007420 /nfs/dbraw/zinc/00/74/20/1081007420.db2.gz ORTUAACVNRXHCX-DLBZAZTESA-N 1 2 410.478 0.253 20 0 HCADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)C2=O)n(C)n1 ZINC000673333803 1081007411 /nfs/dbraw/zinc/00/74/11/1081007411.db2.gz ORTUAACVNRXHCX-DLBZAZTESA-N 1 2 410.478 0.253 20 0 HCADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)C2=O)n(C)n1 ZINC000673333804 1081007444 /nfs/dbraw/zinc/00/74/44/1081007444.db2.gz ORTUAACVNRXHCX-IAGOWNOFSA-N 1 2 410.478 0.253 20 0 HCADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)C2=O)n(C)n1 ZINC000673333804 1081007436 /nfs/dbraw/zinc/00/74/36/1081007436.db2.gz ORTUAACVNRXHCX-IAGOWNOFSA-N 1 2 410.478 0.253 20 0 HCADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)C2=O)n(C)n1 ZINC000673333805 1081007560 /nfs/dbraw/zinc/00/75/60/1081007560.db2.gz ORTUAACVNRXHCX-IRXDYDNUSA-N 1 2 410.478 0.253 20 0 HCADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)C2=O)n(C)n1 ZINC000673333805 1081007551 /nfs/dbraw/zinc/00/75/51/1081007551.db2.gz ORTUAACVNRXHCX-IRXDYDNUSA-N 1 2 410.478 0.253 20 0 HCADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)C2=O)n(C)n1 ZINC000673333806 1081007680 /nfs/dbraw/zinc/00/76/80/1081007680.db2.gz ORTUAACVNRXHCX-SJORKVTESA-N 1 2 410.478 0.253 20 0 HCADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)C2=O)n(C)n1 ZINC000673333806 1081007671 /nfs/dbraw/zinc/00/76/71/1081007671.db2.gz ORTUAACVNRXHCX-SJORKVTESA-N 1 2 410.478 0.253 20 0 HCADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC000673333877 1081007482 /nfs/dbraw/zinc/00/74/82/1081007482.db2.gz ZHZCNRZASMPKGJ-GOSISDBHSA-N 1 2 424.505 0.294 20 0 HCADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC000673333878 1081007928 /nfs/dbraw/zinc/00/79/28/1081007928.db2.gz ZHZCNRZASMPKGJ-SFHVURJKSA-N 1 2 424.505 0.294 20 0 HCADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000673337861 1081012553 /nfs/dbraw/zinc/01/25/53/1081012553.db2.gz WGQWCBPABDHCHY-DFQSSKMNSA-N 1 2 419.522 0.656 20 0 HCADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000673337861 1081012543 /nfs/dbraw/zinc/01/25/43/1081012543.db2.gz WGQWCBPABDHCHY-DFQSSKMNSA-N 1 2 419.522 0.656 20 0 HCADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000673337862 1081012620 /nfs/dbraw/zinc/01/26/20/1081012620.db2.gz WGQWCBPABDHCHY-YSIASYRMSA-N 1 2 419.522 0.656 20 0 HCADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000673337862 1081012612 /nfs/dbraw/zinc/01/26/12/1081012612.db2.gz WGQWCBPABDHCHY-YSIASYRMSA-N 1 2 419.522 0.656 20 0 HCADLO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673337875 1081012476 /nfs/dbraw/zinc/01/24/76/1081012476.db2.gz YHAIKCOPEMZQJB-MOPGFXCFSA-N 1 2 405.495 0.268 20 0 HCADLO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673337876 1081012575 /nfs/dbraw/zinc/01/25/75/1081012575.db2.gz YHAIKCOPEMZQJB-OALUTQOASA-N 1 2 405.495 0.268 20 0 HCADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673337877 1081012708 /nfs/dbraw/zinc/01/27/08/1081012708.db2.gz YHAIKCOPEMZQJB-RBUKOAKNSA-N 1 2 405.495 0.268 20 0 HCADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673337878 1081012497 /nfs/dbraw/zinc/01/24/97/1081012497.db2.gz YHAIKCOPEMZQJB-RTBURBONSA-N 1 2 405.495 0.268 20 0 HCADLO CC[C@H](NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000673338299 1081012874 /nfs/dbraw/zinc/01/28/74/1081012874.db2.gz OJMZETRMBUYTMU-HKUYNNGSSA-N 1 2 416.522 0.473 20 0 HCADLO CC[C@H](NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000673338299 1081012862 /nfs/dbraw/zinc/01/28/62/1081012862.db2.gz OJMZETRMBUYTMU-HKUYNNGSSA-N 1 2 416.522 0.473 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000673338300 1081012936 /nfs/dbraw/zinc/01/29/36/1081012936.db2.gz OJMZETRMBUYTMU-PKOBYXMFSA-N 1 2 416.522 0.473 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000673338300 1081012924 /nfs/dbraw/zinc/01/29/24/1081012924.db2.gz OJMZETRMBUYTMU-PKOBYXMFSA-N 1 2 416.522 0.473 20 0 HCADLO CC[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000673338457 1081015707 /nfs/dbraw/zinc/01/57/07/1081015707.db2.gz GGOKCBQRLXDTPX-GOSISDBHSA-N 1 2 402.495 0.084 20 0 HCADLO CC[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000673338458 1081015825 /nfs/dbraw/zinc/01/58/25/1081015825.db2.gz GGOKCBQRLXDTPX-SFHVURJKSA-N 1 2 402.495 0.084 20 0 HCADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C[C@H](C)O1 ZINC000673355309 1081032098 /nfs/dbraw/zinc/03/20/98/1081032098.db2.gz OXKCZFWIDVWIFT-JZXOWHBKSA-N 1 2 408.543 0.461 20 0 HCADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C[C@H](C)O1 ZINC000673355309 1081032086 /nfs/dbraw/zinc/03/20/86/1081032086.db2.gz OXKCZFWIDVWIFT-JZXOWHBKSA-N 1 2 408.543 0.461 20 0 HCADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C[C@H](C)O1 ZINC000673355310 1081032066 /nfs/dbraw/zinc/03/20/66/1081032066.db2.gz OXKCZFWIDVWIFT-SOLBZPMBSA-N 1 2 408.543 0.461 20 0 HCADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C[C@H](C)O1 ZINC000673355310 1081032057 /nfs/dbraw/zinc/03/20/57/1081032057.db2.gz OXKCZFWIDVWIFT-SOLBZPMBSA-N 1 2 408.543 0.461 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673355408 1081032338 /nfs/dbraw/zinc/03/23/38/1081032338.db2.gz JXTSLIPZLGPQNB-GOSISDBHSA-N 1 2 408.543 0.463 20 0 HCADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673355410 1081032444 /nfs/dbraw/zinc/03/24/44/1081032444.db2.gz JXTSLIPZLGPQNB-SFHVURJKSA-N 1 2 408.543 0.463 20 0 HCADLO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673355714 1081032504 /nfs/dbraw/zinc/03/25/04/1081032504.db2.gz VIMNUDVHOOKWLE-MSOLQXFVSA-N 1 2 406.527 0.217 20 0 HCADLO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673355717 1081032410 /nfs/dbraw/zinc/03/24/10/1081032410.db2.gz VIMNUDVHOOKWLE-QZTJIDSGSA-N 1 2 406.527 0.217 20 0 HCADLO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673355718 1081032355 /nfs/dbraw/zinc/03/23/55/1081032355.db2.gz VIMNUDVHOOKWLE-ROUUACIJSA-N 1 2 406.527 0.217 20 0 HCADLO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673355719 1081032427 /nfs/dbraw/zinc/03/24/27/1081032427.db2.gz VIMNUDVHOOKWLE-ZWKOTPCHSA-N 1 2 406.527 0.217 20 0 HCADLO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000673357984 1081033770 /nfs/dbraw/zinc/03/37/70/1081033770.db2.gz QRXNPCSLOZTEAZ-FUHWJXTLSA-N 1 2 400.479 0.969 20 0 HCADLO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000673357985 1081033714 /nfs/dbraw/zinc/03/37/14/1081033714.db2.gz QRXNPCSLOZTEAZ-SJLPKXTDSA-N 1 2 400.479 0.969 20 0 HCADLO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000673360255 1081030551 /nfs/dbraw/zinc/03/05/51/1081030551.db2.gz OAOFMKFVXDTHCS-MOPGFXCFSA-N 1 2 420.554 0.607 20 0 HCADLO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000673360256 1081030482 /nfs/dbraw/zinc/03/04/82/1081030482.db2.gz OAOFMKFVXDTHCS-OALUTQOASA-N 1 2 420.554 0.607 20 0 HCADLO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000673360257 1081030264 /nfs/dbraw/zinc/03/02/64/1081030264.db2.gz OAOFMKFVXDTHCS-RBUKOAKNSA-N 1 2 420.554 0.607 20 0 HCADLO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000673360258 1081030527 /nfs/dbraw/zinc/03/05/27/1081030527.db2.gz OAOFMKFVXDTHCS-RTBURBONSA-N 1 2 420.554 0.607 20 0 HCADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)cc[nH+]1 ZINC000673361026 1081036251 /nfs/dbraw/zinc/03/62/51/1081036251.db2.gz WVLBEEASYMUBCY-KRWDZBQOSA-N 1 2 414.510 0.341 20 0 HCADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)cc[nH+]1 ZINC000673361029 1081036342 /nfs/dbraw/zinc/03/63/42/1081036342.db2.gz WVLBEEASYMUBCY-QGZVFWFLSA-N 1 2 414.510 0.341 20 0 HCADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673361042 1081036285 /nfs/dbraw/zinc/03/62/85/1081036285.db2.gz WZFHPNUTLQUVJD-KRWDZBQOSA-N 1 2 408.543 0.463 20 0 HCADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673361042 1081036277 /nfs/dbraw/zinc/03/62/77/1081036277.db2.gz WZFHPNUTLQUVJD-KRWDZBQOSA-N 1 2 408.543 0.463 20 0 HCADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673361044 1081036782 /nfs/dbraw/zinc/03/67/82/1081036782.db2.gz WZFHPNUTLQUVJD-QGZVFWFLSA-N 1 2 408.543 0.463 20 0 HCADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673361044 1081036772 /nfs/dbraw/zinc/03/67/72/1081036772.db2.gz WZFHPNUTLQUVJD-QGZVFWFLSA-N 1 2 408.543 0.463 20 0 HCADLO O=C(NC[C@H](CO)c1ccc(Cl)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000673367045 1081035296 /nfs/dbraw/zinc/03/52/96/1081035296.db2.gz DIJMYTOPUXJKBX-DLBZAZTESA-N 1 2 409.914 0.713 20 0 HCADLO O=C(NC[C@H](CO)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000673367046 1081035206 /nfs/dbraw/zinc/03/52/06/1081035206.db2.gz DIJMYTOPUXJKBX-IAGOWNOFSA-N 1 2 409.914 0.713 20 0 HCADLO O=C(NC[C@@H](CO)c1ccc(Cl)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000673367047 1081035326 /nfs/dbraw/zinc/03/53/26/1081035326.db2.gz DIJMYTOPUXJKBX-IRXDYDNUSA-N 1 2 409.914 0.713 20 0 HCADLO O=C(NC[C@@H](CO)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000673367048 1081035234 /nfs/dbraw/zinc/03/52/34/1081035234.db2.gz DIJMYTOPUXJKBX-SJORKVTESA-N 1 2 409.914 0.713 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000673383569 1081043053 /nfs/dbraw/zinc/04/30/53/1081043053.db2.gz HYRVIIYAHCVHEZ-INIZCTEOSA-N 1 2 408.499 0.027 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000673383570 1081043011 /nfs/dbraw/zinc/04/30/11/1081043011.db2.gz HYRVIIYAHCVHEZ-MRXNPFEDSA-N 1 2 408.499 0.027 20 0 HCADLO COCCOc1cc(C)ccc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673385660 1081044187 /nfs/dbraw/zinc/04/41/87/1081044187.db2.gz SFDRRDVLSRNZFB-IBGZPJMESA-N 1 2 419.522 0.960 20 0 HCADLO COCCOc1cc(C)ccc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673385661 1081044533 /nfs/dbraw/zinc/04/45/33/1081044533.db2.gz SFDRRDVLSRNZFB-LJQANCHMSA-N 1 2 419.522 0.960 20 0 HCADLO CC(C)(C)OCc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)no1 ZINC000673396608 1081052936 /nfs/dbraw/zinc/05/29/36/1081052936.db2.gz FSIJYQAVSWPRCE-INIZCTEOSA-N 1 2 408.499 0.929 20 0 HCADLO CC(C)(C)OCc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)no1 ZINC000673396609 1081052810 /nfs/dbraw/zinc/05/28/10/1081052810.db2.gz FSIJYQAVSWPRCE-MRXNPFEDSA-N 1 2 408.499 0.929 20 0 HCADLO O=C(N[C@@H]1CCN(c2ncccc2F)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673416892 1081064712 /nfs/dbraw/zinc/06/47/12/1081064712.db2.gz LTKFBNYFKQWVLA-CVEARBPZSA-N 1 2 405.474 0.239 20 0 HCADLO O=C(N[C@H]1CCN(c2ncccc2F)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673416893 1081064866 /nfs/dbraw/zinc/06/48/66/1081064866.db2.gz LTKFBNYFKQWVLA-HOTGVXAUSA-N 1 2 405.474 0.239 20 0 HCADLO O=C(N[C@@H]1CCN(c2ncccc2F)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673416894 1081064854 /nfs/dbraw/zinc/06/48/54/1081064854.db2.gz LTKFBNYFKQWVLA-HZPDHXFCSA-N 1 2 405.474 0.239 20 0 HCADLO O=C(N[C@H]1CCN(c2ncccc2F)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673416895 1081064744 /nfs/dbraw/zinc/06/47/44/1081064744.db2.gz LTKFBNYFKQWVLA-JKSUJKDBSA-N 1 2 405.474 0.239 20 0 HCADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000673420695 1081068181 /nfs/dbraw/zinc/06/81/81/1081068181.db2.gz QHBWBFCHLOHRRV-CSMYWGQOSA-N 1 2 408.449 0.952 20 0 HCADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000673420695 1081068175 /nfs/dbraw/zinc/06/81/75/1081068175.db2.gz QHBWBFCHLOHRRV-CSMYWGQOSA-N 1 2 408.449 0.952 20 0 HCADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000673420696 1081068225 /nfs/dbraw/zinc/06/82/25/1081068225.db2.gz QHBWBFCHLOHRRV-DQYPLSBCSA-N 1 2 408.449 0.952 20 0 HCADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000673420696 1081068219 /nfs/dbraw/zinc/06/82/19/1081068219.db2.gz QHBWBFCHLOHRRV-DQYPLSBCSA-N 1 2 408.449 0.952 20 0 HCADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000673420697 1081068294 /nfs/dbraw/zinc/06/82/94/1081068294.db2.gz QHBWBFCHLOHRRV-JLZZUVOBSA-N 1 2 408.449 0.952 20 0 HCADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000673420697 1081068288 /nfs/dbraw/zinc/06/82/88/1081068288.db2.gz QHBWBFCHLOHRRV-JLZZUVOBSA-N 1 2 408.449 0.952 20 0 HCADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000673420698 1081068140 /nfs/dbraw/zinc/06/81/40/1081068140.db2.gz QHBWBFCHLOHRRV-OAUYIBNBSA-N 1 2 408.449 0.952 20 0 HCADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000673420698 1081068133 /nfs/dbraw/zinc/06/81/33/1081068133.db2.gz QHBWBFCHLOHRRV-OAUYIBNBSA-N 1 2 408.449 0.952 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCC[C@@H]2CCCCO2)CC1 ZINC000673441143 1081105207 /nfs/dbraw/zinc/10/52/07/1081105207.db2.gz KYLIMRUJOVPUAM-HNNXBMFYSA-N 1 2 415.498 0.477 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCC[C@H]2CCCCO2)CC1 ZINC000673441144 1081105238 /nfs/dbraw/zinc/10/52/38/1081105238.db2.gz KYLIMRUJOVPUAM-OAHLLOKOSA-N 1 2 415.498 0.477 20 0 HCADLO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCn1cc[nH+]c1 ZINC000673441701 1081110458 /nfs/dbraw/zinc/11/04/58/1081110458.db2.gz ATFKOZOCVLMDMW-UHFFFAOYSA-N 1 2 421.523 0.648 20 0 HCADLO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000673446583 1081123158 /nfs/dbraw/zinc/12/31/58/1081123158.db2.gz GVEGHKHKZZHXNU-AOMKIAJQSA-N 1 2 411.506 0.492 20 0 HCADLO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000673446583 1081123134 /nfs/dbraw/zinc/12/31/34/1081123134.db2.gz GVEGHKHKZZHXNU-AOMKIAJQSA-N 1 2 411.506 0.492 20 0 HCADLO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000673446584 1081123477 /nfs/dbraw/zinc/12/34/77/1081123477.db2.gz GVEGHKHKZZHXNU-KSFYIVLOSA-N 1 2 411.506 0.492 20 0 HCADLO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000673446584 1081123458 /nfs/dbraw/zinc/12/34/58/1081123458.db2.gz GVEGHKHKZZHXNU-KSFYIVLOSA-N 1 2 411.506 0.492 20 0 HCADLO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000673446585 1081123561 /nfs/dbraw/zinc/12/35/61/1081123561.db2.gz GVEGHKHKZZHXNU-OPAMFIHVSA-N 1 2 411.506 0.492 20 0 HCADLO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000673446585 1081123552 /nfs/dbraw/zinc/12/35/52/1081123552.db2.gz GVEGHKHKZZHXNU-OPAMFIHVSA-N 1 2 411.506 0.492 20 0 HCADLO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000673446586 1081123638 /nfs/dbraw/zinc/12/36/38/1081123638.db2.gz GVEGHKHKZZHXNU-ZHRRBRCNSA-N 1 2 411.506 0.492 20 0 HCADLO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000673446586 1081123633 /nfs/dbraw/zinc/12/36/33/1081123633.db2.gz GVEGHKHKZZHXNU-ZHRRBRCNSA-N 1 2 411.506 0.492 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000673451440 1081135967 /nfs/dbraw/zinc/13/59/67/1081135967.db2.gz HASFOUWCEJVMOH-IAGOWNOFSA-N 1 2 411.449 0.826 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000673451440 1081135966 /nfs/dbraw/zinc/13/59/66/1081135966.db2.gz HASFOUWCEJVMOH-IAGOWNOFSA-N 1 2 411.449 0.826 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000673451441 1081135844 /nfs/dbraw/zinc/13/58/44/1081135844.db2.gz HASFOUWCEJVMOH-IRXDYDNUSA-N 1 2 411.449 0.826 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000673451441 1081135837 /nfs/dbraw/zinc/13/58/37/1081135837.db2.gz HASFOUWCEJVMOH-IRXDYDNUSA-N 1 2 411.449 0.826 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000673451444 1081136461 /nfs/dbraw/zinc/13/64/61/1081136461.db2.gz HASFOUWCEJVMOH-SJORKVTESA-N 1 2 411.449 0.826 20 0 HCADLO COC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000673451444 1081136450 /nfs/dbraw/zinc/13/64/50/1081136450.db2.gz HASFOUWCEJVMOH-SJORKVTESA-N 1 2 411.449 0.826 20 0 HCADLO CN(C)c1nccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000673451582 1081136551 /nfs/dbraw/zinc/13/65/51/1081136551.db2.gz YFZPIWIOWGBSKM-DLBZAZTESA-N 1 2 418.448 0.999 20 0 HCADLO CN(C)c1nccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000673451582 1081136542 /nfs/dbraw/zinc/13/65/42/1081136542.db2.gz YFZPIWIOWGBSKM-DLBZAZTESA-N 1 2 418.448 0.999 20 0 HCADLO CN(C)c1nccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000673451583 1081136830 /nfs/dbraw/zinc/13/68/30/1081136830.db2.gz YFZPIWIOWGBSKM-IAGOWNOFSA-N 1 2 418.448 0.999 20 0 HCADLO CN(C)c1nccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000673451583 1081136825 /nfs/dbraw/zinc/13/68/25/1081136825.db2.gz YFZPIWIOWGBSKM-IAGOWNOFSA-N 1 2 418.448 0.999 20 0 HCADLO CN(C)c1nccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000673451584 1081136777 /nfs/dbraw/zinc/13/67/77/1081136777.db2.gz YFZPIWIOWGBSKM-IRXDYDNUSA-N 1 2 418.448 0.999 20 0 HCADLO CN(C)c1nccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000673451584 1081136771 /nfs/dbraw/zinc/13/67/71/1081136771.db2.gz YFZPIWIOWGBSKM-IRXDYDNUSA-N 1 2 418.448 0.999 20 0 HCADLO CN(C)c1nccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000673451585 1081136581 /nfs/dbraw/zinc/13/65/81/1081136581.db2.gz YFZPIWIOWGBSKM-SJORKVTESA-N 1 2 418.448 0.999 20 0 HCADLO CN(C)c1nccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000673451585 1081136574 /nfs/dbraw/zinc/13/65/74/1081136574.db2.gz YFZPIWIOWGBSKM-SJORKVTESA-N 1 2 418.448 0.999 20 0 HCADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cc(N3CCNC(=O)C3)ccn2)cn1 ZINC000673452229 1081136742 /nfs/dbraw/zinc/13/67/42/1081136742.db2.gz BJPBGYLKAXCTKA-UHFFFAOYSA-N 1 2 408.466 0.290 20 0 HCADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CCCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000673452346 1081136518 /nfs/dbraw/zinc/13/65/18/1081136518.db2.gz NUZFSXOAGSZDAK-UHFFFAOYSA-N 1 2 401.471 0.756 20 0 HCADLO CNS(=O)(=O)c1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)c(C)o1 ZINC000673452623 1081137553 /nfs/dbraw/zinc/13/75/53/1081137553.db2.gz ATGACVUMRHBEGJ-UHFFFAOYSA-N 1 2 406.468 0.769 20 0 HCADLO CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1 ZINC000673463074 1081144046 /nfs/dbraw/zinc/14/40/46/1081144046.db2.gz WXJVXPFQPMXQKT-INIZCTEOSA-N 1 2 420.535 0.698 20 0 HCADLO NS(=O)(=O)N1CCC(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000673470836 1081151719 /nfs/dbraw/zinc/15/17/19/1081151719.db2.gz AAAFQYYXUMYNCY-UHFFFAOYSA-N 1 2 401.558 0.523 20 0 HCADLO CC(C)OCCS(=O)(=O)NCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673472630 1081153959 /nfs/dbraw/zinc/15/39/59/1081153959.db2.gz YUFVDHYXBQBSJH-UHFFFAOYSA-N 1 2 418.585 0.952 20 0 HCADLO CC(C)Nc1nc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)nc(NCCO)[nH+]1 ZINC000673489373 1081169832 /nfs/dbraw/zinc/16/98/32/1081169832.db2.gz YAXNDLBWLBUMQI-CYBMUJFWSA-N 1 2 413.548 0.394 20 0 HCADLO CC(C)Nc1nc(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)nc(NCCO)[nH+]1 ZINC000673489374 1081169805 /nfs/dbraw/zinc/16/98/05/1081169805.db2.gz YAXNDLBWLBUMQI-ZDUSSCGKSA-N 1 2 413.548 0.394 20 0 HCADLO CC(C)(C)Nc1nc(N2CC[C@H](CC(N)=O)C2)[nH+]c(N2CC[C@H](CC(N)=O)C2)n1 ZINC000673491076 1081176173 /nfs/dbraw/zinc/17/61/73/1081176173.db2.gz KUVUYGQIONWKMA-CHWSQXEVSA-N 1 2 404.519 0.485 20 0 HCADLO CC(C)(C)Nc1nc(N2CC[C@@H](CC(N)=O)C2)[nH+]c(N2CC[C@@H](CC(N)=O)C2)n1 ZINC000673491077 1081175800 /nfs/dbraw/zinc/17/58/00/1081175800.db2.gz KUVUYGQIONWKMA-STQMWFEESA-N 1 2 404.519 0.485 20 0 HCADLO COc1ccc(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)cc1S(N)(=O)=O ZINC000673500064 1081179944 /nfs/dbraw/zinc/17/99/44/1081179944.db2.gz HNTQJNPMBVHUTM-UHFFFAOYSA-N 1 2 406.468 0.023 20 0 HCADLO COc1ccc(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)cc1S(N)(=O)=O ZINC000673500064 1081179939 /nfs/dbraw/zinc/17/99/39/1081179939.db2.gz HNTQJNPMBVHUTM-UHFFFAOYSA-N 1 2 406.468 0.023 20 0 HCADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000673502130 1081186243 /nfs/dbraw/zinc/18/62/43/1081186243.db2.gz QHMBJYYBTYGUPX-CVEARBPZSA-N 1 2 413.482 0.088 20 0 HCADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000673502131 1081185825 /nfs/dbraw/zinc/18/58/25/1081185825.db2.gz QHMBJYYBTYGUPX-HOTGVXAUSA-N 1 2 413.482 0.088 20 0 HCADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000673502132 1081185989 /nfs/dbraw/zinc/18/59/89/1081185989.db2.gz QHMBJYYBTYGUPX-HZPDHXFCSA-N 1 2 413.482 0.088 20 0 HCADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000673502133 1081184539 /nfs/dbraw/zinc/18/45/39/1081184539.db2.gz QHMBJYYBTYGUPX-JKSUJKDBSA-N 1 2 413.482 0.088 20 0 HCADLO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000673515159 1081204924 /nfs/dbraw/zinc/20/49/24/1081204924.db2.gz UTFSEOTUTKRVJC-MOPGFXCFSA-N 1 2 423.473 0.764 20 0 HCADLO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000673515160 1081205018 /nfs/dbraw/zinc/20/50/18/1081205018.db2.gz UTFSEOTUTKRVJC-RTBURBONSA-N 1 2 423.473 0.764 20 0 HCADLO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673517081 1081200307 /nfs/dbraw/zinc/20/03/07/1081200307.db2.gz MTSKPFFDKXBGPY-MSOLQXFVSA-N 1 2 410.478 0.749 20 0 HCADLO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673517082 1081200415 /nfs/dbraw/zinc/20/04/15/1081200415.db2.gz MTSKPFFDKXBGPY-QZTJIDSGSA-N 1 2 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ZINC000673562086 1081289543 /nfs/dbraw/zinc/28/95/43/1081289543.db2.gz HVTWGJCHUBYEEQ-LBPRGKRZSA-N 1 2 404.920 0.831 20 0 HCADLO CCN(C)C(=O)c1cccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000673562463 1081289151 /nfs/dbraw/zinc/28/91/51/1081289151.db2.gz YHTINCPIHYGEJV-UHFFFAOYSA-N 1 2 410.540 0.609 20 0 HCADLO O=C(NCc1cnn(CC(F)(F)F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673603557 1081341506 /nfs/dbraw/zinc/34/15/06/1081341506.db2.gz XDRYVZDSRFELTB-AWEZNQCLSA-N 1 2 403.405 0.385 20 0 HCADLO O=C(NCc1cnn(CC(F)(F)F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673603558 1081341633 /nfs/dbraw/zinc/34/16/33/1081341633.db2.gz XDRYVZDSRFELTB-CQSZACIVSA-N 1 2 403.405 0.385 20 0 HCADLO Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)CCC2 ZINC000673617584 1081361018 /nfs/dbraw/zinc/36/10/18/1081361018.db2.gz LCNZQZSMSYVWTC-MSOLQXFVSA-N 1 2 403.527 0.754 20 0 HCADLO Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)CCC2 ZINC000673617584 1081361009 /nfs/dbraw/zinc/36/10/09/1081361009.db2.gz LCNZQZSMSYVWTC-MSOLQXFVSA-N 1 2 403.527 0.754 20 0 HCADLO Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)CCC2 ZINC000673617591 1081360891 /nfs/dbraw/zinc/36/08/91/1081360891.db2.gz LCNZQZSMSYVWTC-QZTJIDSGSA-N 1 2 403.527 0.754 20 0 HCADLO Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)CCC2 ZINC000673617591 1081360882 /nfs/dbraw/zinc/36/08/82/1081360882.db2.gz LCNZQZSMSYVWTC-QZTJIDSGSA-N 1 2 403.527 0.754 20 0 HCADLO Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)CCC2 ZINC000673617592 1081360822 /nfs/dbraw/zinc/36/08/22/1081360822.db2.gz LCNZQZSMSYVWTC-ROUUACIJSA-N 1 2 403.527 0.754 20 0 HCADLO Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)CCC2 ZINC000673617592 1081360814 /nfs/dbraw/zinc/36/08/14/1081360814.db2.gz LCNZQZSMSYVWTC-ROUUACIJSA-N 1 2 403.527 0.754 20 0 HCADLO Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)CCC2 ZINC000673617594 1081361277 /nfs/dbraw/zinc/36/12/77/1081361277.db2.gz LCNZQZSMSYVWTC-ZWKOTPCHSA-N 1 2 403.527 0.754 20 0 HCADLO Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)CCC2 ZINC000673617594 1081361271 /nfs/dbraw/zinc/36/12/71/1081361271.db2.gz LCNZQZSMSYVWTC-ZWKOTPCHSA-N 1 2 403.527 0.754 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CCN(C)C3=O)cc2)CC1 ZINC000681260386 1080872822 /nfs/dbraw/zinc/87/28/22/1080872822.db2.gz USVLPESNXCRYRS-FQEVSTJZSA-N 1 2 416.522 0.367 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3CCN(C)C3=O)cc2)CC1 ZINC000681260387 1080872778 /nfs/dbraw/zinc/87/27/78/1080872778.db2.gz USVLPESNXCRYRS-HXUWFJFHSA-N 1 2 416.522 0.367 20 0 HCADLO CN(Cc1nnc[nH]1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000681403823 1080878405 /nfs/dbraw/zinc/87/84/05/1080878405.db2.gz OZYZIOILQNIEMD-UHFFFAOYSA-N 1 2 400.487 0.679 20 0 HCADLO CN(Cc1nc[nH]n1)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000681403823 1080878404 /nfs/dbraw/zinc/87/84/04/1080878404.db2.gz OZYZIOILQNIEMD-UHFFFAOYSA-N 1 2 400.487 0.679 20 0 HCADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000681411832 1080878785 /nfs/dbraw/zinc/87/87/85/1080878785.db2.gz MDXNFSFMBOWHFW-UHFFFAOYSA-N 1 2 405.499 0.969 20 0 HCADLO C[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC[N@H+]1CCO ZINC000681761381 1080886637 /nfs/dbraw/zinc/88/66/37/1080886637.db2.gz JLWXBVXJXSATFE-SECBINFHSA-N 1 2 400.348 0.970 20 0 HCADLO C[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC[N@@H+]1CCO ZINC000681761381 1080886633 /nfs/dbraw/zinc/88/66/33/1080886633.db2.gz JLWXBVXJXSATFE-SECBINFHSA-N 1 2 400.348 0.970 20 0 HCADLO C[C@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC[N@H+]1CCO ZINC000681761383 1080886760 /nfs/dbraw/zinc/88/67/60/1080886760.db2.gz JLWXBVXJXSATFE-VIFPVBQESA-N 1 2 400.348 0.970 20 0 HCADLO C[C@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC[N@@H+]1CCO ZINC000681761383 1080886759 /nfs/dbraw/zinc/88/67/59/1080886759.db2.gz JLWXBVXJXSATFE-VIFPVBQESA-N 1 2 400.348 0.970 20 0 HCADLO CO[C@@]1(C(F)(F)F)CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000682022261 1080891181 /nfs/dbraw/zinc/89/11/81/1080891181.db2.gz WEHMXWDRPITFRO-PBHICJAKSA-N 1 2 407.433 0.737 20 0 HCADLO CO[C@]1(C(F)(F)F)CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000682022262 1080891559 /nfs/dbraw/zinc/89/15/59/1080891559.db2.gz WEHMXWDRPITFRO-RHSMWYFYSA-N 1 2 407.433 0.737 20 0 HCADLO CO[C@]1(C(F)(F)F)CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000682022263 1080891438 /nfs/dbraw/zinc/89/14/38/1080891438.db2.gz WEHMXWDRPITFRO-WMLDXEAASA-N 1 2 407.433 0.737 20 0 HCADLO CO[C@@]1(C(F)(F)F)CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000682022264 1080891477 /nfs/dbraw/zinc/89/14/77/1080891477.db2.gz WEHMXWDRPITFRO-YOEHRIQHSA-N 1 2 407.433 0.737 20 0 HCADLO NS(=O)(=O)c1ccccc1N1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000682372418 1080896610 /nfs/dbraw/zinc/89/66/10/1080896610.db2.gz WEFNLEDXXRABIL-UHFFFAOYSA-N 1 2 421.523 0.321 20 0 HCADLO O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682445841 1080897382 /nfs/dbraw/zinc/89/73/82/1080897382.db2.gz PGFPBLZRUIXBSJ-KRWDZBQOSA-N 1 2 418.519 0.924 20 0 HCADLO O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682445842 1080897358 /nfs/dbraw/zinc/89/73/58/1080897358.db2.gz PGFPBLZRUIXBSJ-QGZVFWFLSA-N 1 2 418.519 0.924 20 0 HCADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682446626 1080897289 /nfs/dbraw/zinc/89/72/89/1080897289.db2.gz YMTJSDPCVNWXEJ-CYBMUJFWSA-N 1 2 410.521 0.844 20 0 HCADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682446627 1080897371 /nfs/dbraw/zinc/89/73/71/1080897371.db2.gz YMTJSDPCVNWXEJ-ZDUSSCGKSA-N 1 2 410.521 0.844 20 0 HCADLO C[C@H](C(=O)N1CCN([C@@H]2CCOC2)CC1)[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000682917533 1080938186 /nfs/dbraw/zinc/93/81/86/1080938186.db2.gz VTTXQBZQGHFCFT-VNTMZGSJSA-N 1 2 422.570 0.125 20 0 HCADLO CC(=O)N1C[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)Oc2ccccc21 ZINC000731650246 1077843716 /nfs/dbraw/zinc/84/37/16/1077843716.db2.gz MDHFVDVKSREQRQ-SFHVURJKSA-N 1 2 409.508 0.426 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCN(c3nccs3)CC2)CC1 ZINC000731685978 1077846335 /nfs/dbraw/zinc/84/63/35/1077846335.db2.gz GFCKXACFLVPRHJ-UHFFFAOYSA-N 1 2 415.585 0.874 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(N2C(=O)N[C@@H](c3ccc4c(c3)CCO4)C2=O)CC1 ZINC000761265821 1073430860 /nfs/dbraw/zinc/43/08/60/1073430860.db2.gz JFTJHUZDTDWUKS-KRWDZBQOSA-N 1 2 407.492 0.723 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(N2C(=O)N[C@H](c3ccc4c(c3)CCO4)C2=O)CC1 ZINC000761265825 1073430822 /nfs/dbraw/zinc/43/08/22/1073430822.db2.gz JFTJHUZDTDWUKS-QGZVFWFLSA-N 1 2 407.492 0.723 20 0 HCADLO COc1ccc([C@@H]2NC(=O)N(C3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)cc1O ZINC000761268329 1073437277 /nfs/dbraw/zinc/43/72/77/1073437277.db2.gz QWPPSVKTTHPKAE-INIZCTEOSA-N 1 2 411.480 0.503 20 0 HCADLO COc1ccc([C@H]2NC(=O)N(C3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)cc1O ZINC000761268330 1073437293 /nfs/dbraw/zinc/43/72/93/1073437293.db2.gz QWPPSVKTTHPKAE-MRXNPFEDSA-N 1 2 411.480 0.503 20 0 HCADLO COc1ccc([C@@H]2NC(=O)N(C3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)cc1F ZINC000761268562 1073436207 /nfs/dbraw/zinc/43/62/07/1073436207.db2.gz RXHFJVYGNNMQQQ-INIZCTEOSA-N 1 2 413.471 0.936 20 0 HCADLO COc1ccc([C@H]2NC(=O)N(C3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)cc1F ZINC000761268563 1073436677 /nfs/dbraw/zinc/43/66/77/1073436677.db2.gz RXHFJVYGNNMQQQ-MRXNPFEDSA-N 1 2 413.471 0.936 20 0 HCADLO CC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000761295822 1073510589 /nfs/dbraw/zinc/51/05/89/1073510589.db2.gz UINDBOUQWFRXHT-MSOLQXFVSA-N 1 2 400.479 0.723 20 0 HCADLO CC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000761295822 1073510579 /nfs/dbraw/zinc/51/05/79/1073510579.db2.gz UINDBOUQWFRXHT-MSOLQXFVSA-N 1 2 400.479 0.723 20 0 HCADLO CC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000761295832 1073510379 /nfs/dbraw/zinc/51/03/79/1073510379.db2.gz UINDBOUQWFRXHT-QZTJIDSGSA-N 1 2 400.479 0.723 20 0 HCADLO CC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000761295832 1073510368 /nfs/dbraw/zinc/51/03/68/1073510368.db2.gz UINDBOUQWFRXHT-QZTJIDSGSA-N 1 2 400.479 0.723 20 0 HCADLO CC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000761295837 1073510230 /nfs/dbraw/zinc/51/02/30/1073510230.db2.gz UINDBOUQWFRXHT-ROUUACIJSA-N 1 2 400.479 0.723 20 0 HCADLO CC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000761295837 1073510216 /nfs/dbraw/zinc/51/02/16/1073510216.db2.gz UINDBOUQWFRXHT-ROUUACIJSA-N 1 2 400.479 0.723 20 0 HCADLO CC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000761295840 1073510172 /nfs/dbraw/zinc/51/01/72/1073510172.db2.gz UINDBOUQWFRXHT-ZWKOTPCHSA-N 1 2 400.479 0.723 20 0 HCADLO CC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000761295840 1073510154 /nfs/dbraw/zinc/51/01/54/1073510154.db2.gz UINDBOUQWFRXHT-ZWKOTPCHSA-N 1 2 400.479 0.723 20 0 HCADLO O=C1N[C@@H](c2cccnc2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761296886 1073510072 /nfs/dbraw/zinc/51/00/72/1073510072.db2.gz INZJKPUWVHJEHS-APWZRJJASA-N 1 2 423.477 0.970 20 0 HCADLO O=C1N[C@@H](c2cccnc2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761296886 1073510051 /nfs/dbraw/zinc/51/00/51/1073510051.db2.gz INZJKPUWVHJEHS-APWZRJJASA-N 1 2 423.477 0.970 20 0 HCADLO O=C1N[C@@H](c2cccnc2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761296888 1073510104 /nfs/dbraw/zinc/51/01/04/1073510104.db2.gz INZJKPUWVHJEHS-LPHOPBHVSA-N 1 2 423.477 0.970 20 0 HCADLO O=C1N[C@@H](c2cccnc2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761296888 1073510095 /nfs/dbraw/zinc/51/00/95/1073510095.db2.gz INZJKPUWVHJEHS-LPHOPBHVSA-N 1 2 423.477 0.970 20 0 HCADLO O=C1N[C@H](c2cccnc2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761296890 1073510665 /nfs/dbraw/zinc/51/06/65/1073510665.db2.gz INZJKPUWVHJEHS-QFBILLFUSA-N 1 2 423.477 0.970 20 0 HCADLO O=C1N[C@H](c2cccnc2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761296890 1073510635 /nfs/dbraw/zinc/51/06/35/1073510635.db2.gz INZJKPUWVHJEHS-QFBILLFUSA-N 1 2 423.477 0.970 20 0 HCADLO O=C1N[C@H](c2cccnc2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761296894 1073510519 /nfs/dbraw/zinc/51/05/19/1073510519.db2.gz INZJKPUWVHJEHS-VQIMIIECSA-N 1 2 423.477 0.970 20 0 HCADLO O=C1N[C@H](c2cccnc2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761296894 1073510506 /nfs/dbraw/zinc/51/05/06/1073510506.db2.gz INZJKPUWVHJEHS-VQIMIIECSA-N 1 2 423.477 0.970 20 0 HCADLO O=C1N[C@@]2(CCSC2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761299077 1073510298 /nfs/dbraw/zinc/51/02/98/1073510298.db2.gz OWVCEPDTECMXPB-AUUYWEPGSA-N 1 2 418.523 0.710 20 0 HCADLO O=C1N[C@@]2(CCSC2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761299077 1073510287 /nfs/dbraw/zinc/51/02/87/1073510287.db2.gz OWVCEPDTECMXPB-AUUYWEPGSA-N 1 2 418.523 0.710 20 0 HCADLO O=C1N[C@@]2(CCSC2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761299082 1073510431 /nfs/dbraw/zinc/51/04/31/1073510431.db2.gz OWVCEPDTECMXPB-IFXJQAMLSA-N 1 2 418.523 0.710 20 0 HCADLO O=C1N[C@@]2(CCSC2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761299082 1073510420 /nfs/dbraw/zinc/51/04/20/1073510420.db2.gz OWVCEPDTECMXPB-IFXJQAMLSA-N 1 2 418.523 0.710 20 0 HCADLO O=C1N[C@]2(CCSC2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761299088 1073510470 /nfs/dbraw/zinc/51/04/70/1073510470.db2.gz OWVCEPDTECMXPB-KUHUBIRLSA-N 1 2 418.523 0.710 20 0 HCADLO O=C1N[C@]2(CCSC2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761299088 1073510461 /nfs/dbraw/zinc/51/04/61/1073510461.db2.gz OWVCEPDTECMXPB-KUHUBIRLSA-N 1 2 418.523 0.710 20 0 HCADLO O=C1N[C@]2(CCSC2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761299094 1073511096 /nfs/dbraw/zinc/51/10/96/1073511096.db2.gz OWVCEPDTECMXPB-LIRRHRJNSA-N 1 2 418.523 0.710 20 0 HCADLO O=C1N[C@]2(CCSC2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761299094 1073511086 /nfs/dbraw/zinc/51/10/86/1073511086.db2.gz OWVCEPDTECMXPB-LIRRHRJNSA-N 1 2 418.523 0.710 20 0 HCADLO Cc1c(O)cccc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000761431917 1075664432 /nfs/dbraw/zinc/66/44/32/1075664432.db2.gz URAUTHUIGFKPQZ-UHFFFAOYSA-N 1 2 410.434 0.883 20 0 HCADLO C[C@H]1C[C@@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC1=O ZINC000761470019 1077259118 /nfs/dbraw/zinc/25/91/18/1077259118.db2.gz UHAGCCOTFLALFD-KBPBESRZSA-N 1 2 414.466 0.560 20 0 HCADLO C[C@@H]1C[C@@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC1=O ZINC000761470021 1077259692 /nfs/dbraw/zinc/25/96/92/1077259692.db2.gz UHAGCCOTFLALFD-KGLIPLIRSA-N 1 2 414.466 0.560 20 0 HCADLO C[C@H]1C[C@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC1=O ZINC000761470023 1077261130 /nfs/dbraw/zinc/26/11/30/1077261130.db2.gz UHAGCCOTFLALFD-UONOGXRCSA-N 1 2 414.466 0.560 20 0 HCADLO C[C@@H]1C[C@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC1=O ZINC000761470025 1077260921 /nfs/dbraw/zinc/26/09/21/1077260921.db2.gz UHAGCCOTFLALFD-ZIAGYGMSSA-N 1 2 414.466 0.560 20 0 HCADLO COCCC1(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC1 ZINC000761480469 1077310675 /nfs/dbraw/zinc/31/06/75/1077310675.db2.gz CRNTUHFETBINID-UHFFFAOYSA-N 1 2 416.482 0.762 20 0 HCADLO COC(=O)N[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000761525495 1077334017 /nfs/dbraw/zinc/33/40/17/1077334017.db2.gz HWPWRWOQSJMXBM-AWEZNQCLSA-N 1 2 405.451 0.553 20 0 HCADLO COC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000761529303 1077333449 /nfs/dbraw/zinc/33/34/49/1077333449.db2.gz FISFTWYUSXSLOT-AWEZNQCLSA-N 1 2 407.471 0.845 20 0 HCADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000761535731 1077334512 /nfs/dbraw/zinc/33/45/12/1077334512.db2.gz AZPQZUOPRXVTJR-UHFFFAOYSA-N 1 2 417.535 0.698 20 0 HCADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC1 ZINC000761537770 1077334866 /nfs/dbraw/zinc/33/48/66/1077334866.db2.gz JLHQOXMPTFKPAL-UHFFFAOYSA-N 1 2 403.508 0.458 20 0 HCADLO O=C(NCC1(O)CCC2(CC1)OCCO2)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000761650837 1077574469 /nfs/dbraw/zinc/57/44/69/1077574469.db2.gz LPLYZSUDLJIGHU-UHFFFAOYSA-N 1 2 409.487 0.385 20 0 HCADLO COC(=O)N[C@@H](C)C(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000761659013 1077593454 /nfs/dbraw/zinc/59/34/54/1077593454.db2.gz PRHMSBKIFNDABT-INIZCTEOSA-N 1 2 420.510 0.633 20 0 HCADLO O=C(C[N@H+]1CCCC2(C1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000761684257 1077618325 /nfs/dbraw/zinc/61/83/25/1077618325.db2.gz BCFABEDNFARZNH-UHFFFAOYSA-N 1 2 409.508 0.358 20 0 HCADLO O=C(C[N@@H+]1CCCC2(C1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000761684257 1077618313 /nfs/dbraw/zinc/61/83/13/1077618313.db2.gz BCFABEDNFARZNH-UHFFFAOYSA-N 1 2 409.508 0.358 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3F)CC2)CC1 ZINC000761685189 1077622822 /nfs/dbraw/zinc/62/28/22/1077622822.db2.gz ITZKSUKHZHDBBB-UHFFFAOYSA-N 1 2 413.519 0.561 20 0 HCADLO O=C(CN1CCN(C(=O)C[N@H+]2CCCC3(C2)OCCO3)CC1)Nc1ccc(F)cc1 ZINC000761685926 1077619846 /nfs/dbraw/zinc/61/98/46/1077619846.db2.gz SQDRMWUYRYNNGF-UHFFFAOYSA-N 1 2 420.485 0.747 20 0 HCADLO O=C(CN1CCN(C(=O)C[N@@H+]2CCCC3(C2)OCCO3)CC1)Nc1ccc(F)cc1 ZINC000761685926 1077619837 /nfs/dbraw/zinc/61/98/37/1077619837.db2.gz SQDRMWUYRYNNGF-UHFFFAOYSA-N 1 2 420.485 0.747 20 0 HCADLO O=C(C[N@H+]1CCCC2(C1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000761693121 1077630569 /nfs/dbraw/zinc/63/05/69/1077630569.db2.gz FKNOMITVDKSJPV-UHFFFAOYSA-N 1 2 423.535 0.500 20 0 HCADLO O=C(C[N@@H+]1CCCC2(C1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000761693121 1077630553 /nfs/dbraw/zinc/63/05/53/1077630553.db2.gz FKNOMITVDKSJPV-UHFFFAOYSA-N 1 2 423.535 0.500 20 0 HCADLO O=C(Cn1cccc(C(F)(F)F)c1=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000761704147 1077635617 /nfs/dbraw/zinc/63/56/17/1077635617.db2.gz AMENMPWMCIIVGL-AWEZNQCLSA-N 1 2 403.401 0.817 20 0 HCADLO O=C(Cn1cccc(C(F)(F)F)c1=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000761704149 1077635787 /nfs/dbraw/zinc/63/57/87/1077635787.db2.gz AMENMPWMCIIVGL-CQSZACIVSA-N 1 2 403.401 0.817 20 0 HCADLO NC(=O)[C@@H]1CC(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)=NN1c1ccccc1 ZINC000761705016 1077636832 /nfs/dbraw/zinc/63/68/32/1077636832.db2.gz GHIRFQWODRLGMX-HKUYNNGSSA-N 1 2 415.494 0.056 20 0 HCADLO NC(=O)[C@H]1CC(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)=NN1c1ccccc1 ZINC000761705017 1077636607 /nfs/dbraw/zinc/63/66/07/1077636607.db2.gz GHIRFQWODRLGMX-IEBWSBKVSA-N 1 2 415.494 0.056 20 0 HCADLO NC(=O)[C@@H]1CC(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)=NN1c1ccccc1 ZINC000761705018 1077636694 /nfs/dbraw/zinc/63/66/94/1077636694.db2.gz GHIRFQWODRLGMX-MJGOQNOKSA-N 1 2 415.494 0.056 20 0 HCADLO NC(=O)[C@H]1CC(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)=NN1c1ccccc1 ZINC000761705019 1077637622 /nfs/dbraw/zinc/63/76/22/1077637622.db2.gz GHIRFQWODRLGMX-PKOBYXMFSA-N 1 2 415.494 0.056 20 0 HCADLO CC(=O)N(CCc1ccccc1)CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000761705652 1077637510 /nfs/dbraw/zinc/63/75/10/1077637510.db2.gz YVJSUSZGOCPNPD-UHFFFAOYSA-N 1 2 409.552 0.703 20 0 HCADLO COCCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1C ZINC000761708850 1077638315 /nfs/dbraw/zinc/63/83/15/1077638315.db2.gz VGCAAUNDDLGIHE-KRWDZBQOSA-N 1 2 423.510 0.998 20 0 HCADLO COCCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1C ZINC000761708853 1077638501 /nfs/dbraw/zinc/63/85/01/1077638501.db2.gz VGCAAUNDDLGIHE-QGZVFWFLSA-N 1 2 423.510 0.998 20 0 HCADLO CN1CCc2ccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2C1=O ZINC000761723254 1077641142 /nfs/dbraw/zinc/64/11/42/1077641142.db2.gz BLJJBGMVJZDHHK-UHFFFAOYSA-N 1 2 408.524 0.945 20 0 HCADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000761735042 1077643024 /nfs/dbraw/zinc/64/30/24/1077643024.db2.gz ULWPYAFNIDPLJO-UHFFFAOYSA-N 1 2 402.476 0.955 20 0 HCADLO C[C@H]1NC(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000761753569 1077653604 /nfs/dbraw/zinc/65/36/04/1077653604.db2.gz SKUSWSWRJISKFK-AEFFLSMTSA-N 1 2 415.494 0.275 20 0 HCADLO C[C@@H]1NC(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000761753572 1077654117 /nfs/dbraw/zinc/65/41/17/1077654117.db2.gz SKUSWSWRJISKFK-FUHWJXTLSA-N 1 2 415.494 0.275 20 0 HCADLO C[C@H]1NC(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000761753575 1077655906 /nfs/dbraw/zinc/65/59/06/1077655906.db2.gz SKUSWSWRJISKFK-SJLPKXTDSA-N 1 2 415.494 0.275 20 0 HCADLO C[C@@H]1NC(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)=NN(c2ccccc2)C1=O ZINC000761753577 1077656051 /nfs/dbraw/zinc/65/60/51/1077656051.db2.gz SKUSWSWRJISKFK-WMZOPIPTSA-N 1 2 415.494 0.275 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000761814772 1077741574 /nfs/dbraw/zinc/74/15/74/1077741574.db2.gz WDSWPCYUVDFOHH-MOPGFXCFSA-N 1 2 404.511 0.512 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000761814773 1077741463 /nfs/dbraw/zinc/74/14/63/1077741463.db2.gz WDSWPCYUVDFOHH-OALUTQOASA-N 1 2 404.511 0.512 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000761814774 1077741434 /nfs/dbraw/zinc/74/14/34/1077741434.db2.gz WDSWPCYUVDFOHH-RBUKOAKNSA-N 1 2 404.511 0.512 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000761814775 1077741590 /nfs/dbraw/zinc/74/15/90/1077741590.db2.gz WDSWPCYUVDFOHH-RTBURBONSA-N 1 2 404.511 0.512 20 0 HCADLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000761904238 1077777074 /nfs/dbraw/zinc/77/70/74/1077777074.db2.gz JTRSAFOPWLCRGD-NTEUORMPSA-N 1 2 422.551 0.717 20 0 HCADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000761904238 1077777069 /nfs/dbraw/zinc/77/70/69/1077777069.db2.gz JTRSAFOPWLCRGD-NTEUORMPSA-N 1 2 422.551 0.717 20 0 HCADLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000761904240 1077777138 /nfs/dbraw/zinc/77/71/38/1077777138.db2.gz JTRSAFOPWLCRGD-ZROIWOOFSA-N 1 2 422.551 0.717 20 0 HCADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000761904240 1077777132 /nfs/dbraw/zinc/77/71/32/1077777132.db2.gz JTRSAFOPWLCRGD-ZROIWOOFSA-N 1 2 422.551 0.717 20 0 HCADLO C[N@H+]1CCCN(c2ccc(-c3noc(Cn4[nH]cc5c(=O)ncnc4-5)n3)cn2)CC1 ZINC000761909188 1077777598 /nfs/dbraw/zinc/77/75/98/1077777598.db2.gz DIMDETRGTQQCCW-UHFFFAOYSA-N 1 2 407.438 0.706 20 0 HCADLO C[N@@H+]1CCCN(c2ccc(-c3noc(Cn4[nH]cc5c(=O)ncnc4-5)n3)cn2)CC1 ZINC000761909188 1077777585 /nfs/dbraw/zinc/77/75/85/1077777585.db2.gz DIMDETRGTQQCCW-UHFFFAOYSA-N 1 2 407.438 0.706 20 0 HCADLO Cc1[nH+]ccn1-c1ccc(-c2noc(CNS(=O)(=O)c3cnn(C)c3)n2)cn1 ZINC000761924765 1077779247 /nfs/dbraw/zinc/77/92/47/1077779247.db2.gz SIRPBMSLVMAUFH-UHFFFAOYSA-N 1 2 400.424 0.838 20 0 HCADLO CC[NH+]1CCN(c2ccc(-c3noc(Cn4[nH]cc5c(=O)ncnc4-5)n3)cn2)CC1 ZINC000761941287 1077783093 /nfs/dbraw/zinc/78/30/93/1077783093.db2.gz SPRZEPRKCSJCOC-UHFFFAOYSA-N 1 2 407.438 0.706 20 0 HCADLO COc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nc1I ZINC000761997011 1077799840 /nfs/dbraw/zinc/79/98/40/1077799840.db2.gz ZKAOCQHLGFTJBZ-JTQLQIEISA-N 1 2 402.236 0.424 20 0 HCADLO COc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nc1I ZINC000761997012 1077799786 /nfs/dbraw/zinc/79/97/86/1077799786.db2.gz ZKAOCQHLGFTJBZ-SNVBAGLBSA-N 1 2 402.236 0.424 20 0 HCADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(CO)n(-c2ccccc2)c1=S ZINC000762022258 1077806249 /nfs/dbraw/zinc/80/62/49/1077806249.db2.gz LQUURJCHYRGOOK-UHFFFAOYSA-N 1 2 421.523 0.660 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000762089368 1077813827 /nfs/dbraw/zinc/81/38/27/1077813827.db2.gz NYFYNAGOHDBFDQ-KRWDZBQOSA-N 1 2 414.572 0.586 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000762089372 1077813792 /nfs/dbraw/zinc/81/37/92/1077813792.db2.gz NYFYNAGOHDBFDQ-QGZVFWFLSA-N 1 2 414.572 0.586 20 0 HCADLO NC(=O)CC1CCN(c2nc(NC3CC3)nc(N3CCC(CC(N)=O)CC3)[nH+]2)CC1 ZINC000762193031 1077825301 /nfs/dbraw/zinc/82/53/01/1077825301.db2.gz DRIPAYSWHDWORZ-UHFFFAOYSA-N 1 2 416.530 0.051 20 0 HCADLO CN(CC(=O)NC(C)(C)C)c1nc(NC2CC2)nc(N(C)CC(=O)NC(C)(C)C)[nH+]1 ZINC000762195526 1077825771 /nfs/dbraw/zinc/82/57/71/1077825771.db2.gz JGEUFWNBUJZBBY-UHFFFAOYSA-N 1 2 420.562 0.570 20 0 HCADLO CN(CC(=O)NC(C)(C)C)c1nc(NC2CC2)[nH+]c(N(C)CC(=O)NC(C)(C)C)n1 ZINC000762195526 1077825768 /nfs/dbraw/zinc/82/57/68/1077825768.db2.gz JGEUFWNBUJZBBY-UHFFFAOYSA-N 1 2 420.562 0.570 20 0 HCADLO C1CC1Nc1nc(N2CCC3(CC2)OCCO3)[nH+]c(N2CCC3(CC2)OCCO3)n1 ZINC000762195672 1077825581 /nfs/dbraw/zinc/82/55/81/1077825581.db2.gz LFUHAILYBBNAHI-UHFFFAOYSA-N 1 2 418.498 0.554 20 0 HCADLO COC(=O)C1CCN(c2nc(NC3CC3)nc(N3CCC(C(=O)OC)CC3)[nH+]2)CC1 ZINC000762196303 1077825702 /nfs/dbraw/zinc/82/57/02/1077825702.db2.gz ODXGLSXCRQRPLV-UHFFFAOYSA-N 1 2 418.498 0.647 20 0 HCADLO CNc1nc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000762213302 1077829238 /nfs/dbraw/zinc/82/92/38/1077829238.db2.gz JYOWRJWQDVMIEN-UHFFFAOYSA-N 1 2 410.525 0.462 20 0 HCADLO CS(=O)(=O)CCn1cccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c1=O ZINC000762228686 1077831104 /nfs/dbraw/zinc/83/11/04/1077831104.db2.gz AXCGAIOIQHWGMW-UHFFFAOYSA-N 1 2 419.503 0.977 20 0 HCADLO Cn1nc(Br)c2c1ncn(CC(=O)NCc1ccn3cc[nH+]c3c1)c2=O ZINC000762258280 1077834473 /nfs/dbraw/zinc/83/44/73/1077834473.db2.gz IGXIBIWBCBTSQI-UHFFFAOYSA-N 1 2 416.239 0.857 20 0 HCADLO C[C@@](CO)(NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000762290375 1077837370 /nfs/dbraw/zinc/83/73/70/1077837370.db2.gz BHYYSOOVPHSGTH-JXFKEZNVSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@@](CO)(NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000762290375 1077837366 /nfs/dbraw/zinc/83/73/66/1077837366.db2.gz BHYYSOOVPHSGTH-JXFKEZNVSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@](CO)(NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000762290377 1077837288 /nfs/dbraw/zinc/83/72/88/1077837288.db2.gz BHYYSOOVPHSGTH-OXJNMPFZSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@](CO)(NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000762290377 1077837285 /nfs/dbraw/zinc/83/72/85/1077837285.db2.gz BHYYSOOVPHSGTH-OXJNMPFZSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@](CO)(NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000762290379 1077837323 /nfs/dbraw/zinc/83/73/23/1077837323.db2.gz BHYYSOOVPHSGTH-OXQOHEQNSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@](CO)(NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000762290379 1077837321 /nfs/dbraw/zinc/83/73/21/1077837321.db2.gz BHYYSOOVPHSGTH-OXQOHEQNSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@@](CO)(NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000762290381 1077837343 /nfs/dbraw/zinc/83/73/43/1077837343.db2.gz BHYYSOOVPHSGTH-UZLBHIALSA-N 1 2 404.515 0.742 20 0 HCADLO C[C@@](CO)(NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000762290381 1077837342 /nfs/dbraw/zinc/83/73/42/1077837342.db2.gz BHYYSOOVPHSGTH-UZLBHIALSA-N 1 2 404.515 0.742 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCN(C)c4[nH+]cccc43)C2=O)cc1 ZINC000762328746 1077840849 /nfs/dbraw/zinc/84/08/49/1077840849.db2.gz RDIYEMAGOCFEIA-NRFANRHFSA-N 1 2 424.461 0.845 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCN(C)c4[nH+]cccc43)C2=O)cc1 ZINC000762328747 1077840868 /nfs/dbraw/zinc/84/08/68/1077840868.db2.gz RDIYEMAGOCFEIA-OAQYLSRUSA-N 1 2 424.461 0.845 20 0 HCADLO O=S(=O)(c1ccc(OCC[N@@H+]2CCOC[C@@H]2CCO)cc1)N1CCOCC1 ZINC000762340701 1077842457 /nfs/dbraw/zinc/84/24/57/1077842457.db2.gz YAVUFOJXNAZHQU-INIZCTEOSA-N 1 2 400.497 0.170 20 0 HCADLO O=S(=O)(c1ccc(OCC[N@H+]2CCOC[C@@H]2CCO)cc1)N1CCOCC1 ZINC000762340701 1077842452 /nfs/dbraw/zinc/84/24/52/1077842452.db2.gz YAVUFOJXNAZHQU-INIZCTEOSA-N 1 2 400.497 0.170 20 0 HCADLO O=S(=O)(c1ccc(OCC[N@@H+]2CCOC[C@H]2CCO)cc1)N1CCOCC1 ZINC000762340703 1077842505 /nfs/dbraw/zinc/84/25/05/1077842505.db2.gz YAVUFOJXNAZHQU-MRXNPFEDSA-N 1 2 400.497 0.170 20 0 HCADLO O=S(=O)(c1ccc(OCC[N@H+]2CCOC[C@H]2CCO)cc1)N1CCOCC1 ZINC000762340703 1077842504 /nfs/dbraw/zinc/84/25/04/1077842504.db2.gz YAVUFOJXNAZHQU-MRXNPFEDSA-N 1 2 400.497 0.170 20 0 HCADLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000762360175 1077843061 /nfs/dbraw/zinc/84/30/61/1077843061.db2.gz PSNHJFZIIOGLFL-HOTGVXAUSA-N 1 2 424.523 0.303 20 0 HCADLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000762360175 1077843059 /nfs/dbraw/zinc/84/30/59/1077843059.db2.gz PSNHJFZIIOGLFL-HOTGVXAUSA-N 1 2 424.523 0.303 20 0 HCADLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000762360177 1077843003 /nfs/dbraw/zinc/84/30/03/1077843003.db2.gz PSNHJFZIIOGLFL-JKSUJKDBSA-N 1 2 424.523 0.303 20 0 HCADLO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000762360177 1077843001 /nfs/dbraw/zinc/84/30/01/1077843001.db2.gz PSNHJFZIIOGLFL-JKSUJKDBSA-N 1 2 424.523 0.303 20 0 HCADLO Cn1c2[nH]c(C[N@@H+](C)C3CCN(C(=O)OC(C)(C)C)CC3)nc2c(=O)n(C)c1=O ZINC000762382600 1077845344 /nfs/dbraw/zinc/84/53/44/1077845344.db2.gz ULARSCWZHNNBQD-UHFFFAOYSA-N 1 2 406.487 0.792 20 0 HCADLO Cn1c2[nH]c(C[N@H+](C)C3CCN(C(=O)OC(C)(C)C)CC3)nc2c(=O)n(C)c1=O ZINC000762382600 1077845342 /nfs/dbraw/zinc/84/53/42/1077845342.db2.gz ULARSCWZHNNBQD-UHFFFAOYSA-N 1 2 406.487 0.792 20 0 HCADLO NC(=O)C1([NH2+]CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CC1 ZINC000762392558 1077845040 /nfs/dbraw/zinc/84/50/40/1077845040.db2.gz CSSICLWPBAENPC-UHFFFAOYSA-N 1 2 407.496 0.483 20 0 HCADLO COCCN1C(=O)c2ccc(-c3nc(Cc4c[nH+]cn4C)no3)cc2S1(=O)=O ZINC000762407277 1077847662 /nfs/dbraw/zinc/84/76/62/1077847662.db2.gz IAHFVAMZGGSYJL-UHFFFAOYSA-N 1 2 403.420 0.852 20 0 HCADLO CCCn1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000762459541 1077852050 /nfs/dbraw/zinc/85/20/50/1077852050.db2.gz NXDUIPWCUZQDOR-UHFFFAOYSA-N 1 2 413.482 0.482 20 0 HCADLO COC(=O)c1cn([C@H]2CCC[N@@H+](CN3C[C@@H](NC(=O)OC(C)(C)C)CC3=O)C2)nn1 ZINC000762460775 1077852483 /nfs/dbraw/zinc/85/24/83/1077852483.db2.gz BXVXATIXWYNPCU-KBPBESRZSA-N 1 2 422.486 0.785 20 0 HCADLO COC(=O)c1cn([C@H]2CCC[N@H+](CN3C[C@@H](NC(=O)OC(C)(C)C)CC3=O)C2)nn1 ZINC000762460775 1077852482 /nfs/dbraw/zinc/85/24/82/1077852482.db2.gz BXVXATIXWYNPCU-KBPBESRZSA-N 1 2 422.486 0.785 20 0 HCADLO COC(=O)c1cn([C@H]2CCC[N@@H+](CN3C[C@H](NC(=O)OC(C)(C)C)CC3=O)C2)nn1 ZINC000762460778 1077852458 /nfs/dbraw/zinc/85/24/58/1077852458.db2.gz BXVXATIXWYNPCU-KGLIPLIRSA-N 1 2 422.486 0.785 20 0 HCADLO COC(=O)c1cn([C@H]2CCC[N@H+](CN3C[C@H](NC(=O)OC(C)(C)C)CC3=O)C2)nn1 ZINC000762460778 1077852456 /nfs/dbraw/zinc/85/24/56/1077852456.db2.gz BXVXATIXWYNPCU-KGLIPLIRSA-N 1 2 422.486 0.785 20 0 HCADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](CN3C[C@@H](NC(=O)OC(C)(C)C)CC3=O)C2)nn1 ZINC000762460781 1077852495 /nfs/dbraw/zinc/85/24/95/1077852495.db2.gz BXVXATIXWYNPCU-UONOGXRCSA-N 1 2 422.486 0.785 20 0 HCADLO COC(=O)c1cn([C@@H]2CCC[N@H+](CN3C[C@@H](NC(=O)OC(C)(C)C)CC3=O)C2)nn1 ZINC000762460781 1077852492 /nfs/dbraw/zinc/85/24/92/1077852492.db2.gz BXVXATIXWYNPCU-UONOGXRCSA-N 1 2 422.486 0.785 20 0 HCADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](CN3C[C@H](NC(=O)OC(C)(C)C)CC3=O)C2)nn1 ZINC000762460783 1077852438 /nfs/dbraw/zinc/85/24/38/1077852438.db2.gz BXVXATIXWYNPCU-ZIAGYGMSSA-N 1 2 422.486 0.785 20 0 HCADLO COC(=O)c1cn([C@@H]2CCC[N@H+](CN3C[C@H](NC(=O)OC(C)(C)C)CC3=O)C2)nn1 ZINC000762460783 1077852437 /nfs/dbraw/zinc/85/24/37/1077852437.db2.gz BXVXATIXWYNPCU-ZIAGYGMSSA-N 1 2 422.486 0.785 20 0 HCADLO CCn1ccc(=O)n(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1=O ZINC000762485307 1077854318 /nfs/dbraw/zinc/85/43/18/1077854318.db2.gz AWTFQEGTEQFXLG-UHFFFAOYSA-N 1 2 400.483 0.601 20 0 HCADLO c1nc(-c2ccccn2)nn1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000762498545 1077855095 /nfs/dbraw/zinc/85/50/95/1077855095.db2.gz YTHJJFBALDMEJX-UHFFFAOYSA-N 1 2 407.482 0.746 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000762512084 1077856617 /nfs/dbraw/zinc/85/66/17/1077856617.db2.gz TYBVHWFVLLXXEQ-AWEZNQCLSA-N 1 2 422.576 0.978 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000762512087 1077856644 /nfs/dbraw/zinc/85/66/44/1077856644.db2.gz TYBVHWFVLLXXEQ-CQSZACIVSA-N 1 2 422.576 0.978 20 0 HCADLO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000762549627 1077860911 /nfs/dbraw/zinc/86/09/11/1077860911.db2.gz MWLXWIVDIKJYOI-UHFFFAOYSA-N 1 2 417.447 0.771 20 0 HCADLO C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCN1CC(F)(F)F ZINC000762578154 1077864926 /nfs/dbraw/zinc/86/49/26/1077864926.db2.gz CAUUFOHBSXEFFT-CYBMUJFWSA-N 1 2 414.494 0.773 20 0 HCADLO C[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCN1CC(F)(F)F ZINC000762578159 1077864932 /nfs/dbraw/zinc/86/49/32/1077864932.db2.gz CAUUFOHBSXEFFT-ZDUSSCGKSA-N 1 2 414.494 0.773 20 0 HCADLO CC(C)(C)OC(=O)N1CC(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000762579963 1077864286 /nfs/dbraw/zinc/86/42/86/1077864286.db2.gz JBXJVYAEHNIBAW-UHFFFAOYSA-N 1 2 418.560 0.662 20 0 HCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000762583360 1077864728 /nfs/dbraw/zinc/86/47/28/1077864728.db2.gz AAQUACXPJDUSQA-UHFFFAOYSA-N 1 2 410.438 0.373 20 0 HCADLO COC(=O)c1cc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1F ZINC000762584620 1077865811 /nfs/dbraw/zinc/86/58/11/1077865811.db2.gz MSEDXXJFKJLHGE-UHFFFAOYSA-N 1 2 419.413 0.718 20 0 HCADLO COC(=O)Nc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000762584766 1077865582 /nfs/dbraw/zinc/86/55/82/1077865582.db2.gz OYQZPGASOZRLED-UHFFFAOYSA-N 1 2 416.438 0.971 20 0 HCADLO COC(=O)Nc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000762584907 1077865594 /nfs/dbraw/zinc/86/55/94/1077865594.db2.gz RNOMSAPTIDWHNN-UHFFFAOYSA-N 1 2 416.438 0.971 20 0 HCADLO CC(C)Cc1cc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n(C)n1 ZINC000762584918 1077865650 /nfs/dbraw/zinc/86/56/50/1077865650.db2.gz ROKZLQFNDDSZSU-UHFFFAOYSA-N 1 2 403.487 0.725 20 0 HCADLO O=C(NC[C@H](O)c1ccccc1Cl)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000762585281 1077865632 /nfs/dbraw/zinc/86/56/32/1077865632.db2.gz YHOPNVFDSNAPDF-KRWDZBQOSA-N 1 2 421.885 0.657 20 0 HCADLO O=C(NC[C@@H](O)c1ccccc1Cl)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000762585283 1077865563 /nfs/dbraw/zinc/86/55/63/1077865563.db2.gz YHOPNVFDSNAPDF-QGZVFWFLSA-N 1 2 421.885 0.657 20 0 HCADLO O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000762585298 1077865643 /nfs/dbraw/zinc/86/56/43/1077865643.db2.gz YWTGUJHYHRKSAG-INIZCTEOSA-N 1 2 423.420 0.282 20 0 HCADLO O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000762585299 1077865607 /nfs/dbraw/zinc/86/56/07/1077865607.db2.gz YWTGUJHYHRKSAG-MRXNPFEDSA-N 1 2 423.420 0.282 20 0 HCADLO Cn1nccc1CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000762593660 1077866773 /nfs/dbraw/zinc/86/67/73/1077866773.db2.gz RPYXHNSLYHRFAD-INIZCTEOSA-N 1 2 414.514 0.557 20 0 HCADLO Cn1nccc1CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000762593660 1077866771 /nfs/dbraw/zinc/86/67/71/1077866771.db2.gz RPYXHNSLYHRFAD-INIZCTEOSA-N 1 2 414.514 0.557 20 0 HCADLO Cn1nccc1CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000762593662 1077866741 /nfs/dbraw/zinc/86/67/41/1077866741.db2.gz RPYXHNSLYHRFAD-MRXNPFEDSA-N 1 2 414.514 0.557 20 0 HCADLO Cn1nccc1CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000762593662 1077866737 /nfs/dbraw/zinc/86/67/37/1077866737.db2.gz RPYXHNSLYHRFAD-MRXNPFEDSA-N 1 2 414.514 0.557 20 0 HCADLO Cn1nccc1CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000762597463 1077867403 /nfs/dbraw/zinc/86/74/03/1077867403.db2.gz UGUDKGVMHRZUBJ-UHFFFAOYSA-N 1 2 400.487 0.121 20 0 HCADLO Cn1nccc1CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000762597463 1077867402 /nfs/dbraw/zinc/86/74/02/1077867402.db2.gz UGUDKGVMHRZUBJ-UHFFFAOYSA-N 1 2 400.487 0.121 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C)(CO)CC3)C2=O)cc1 ZINC000762618879 1077870701 /nfs/dbraw/zinc/87/07/01/1077870701.db2.gz CZNQYRCFDAKHPH-FQEVSTJZSA-N 1 2 404.467 0.588 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C)(CO)CC3)C2=O)cc1 ZINC000762618880 1077870723 /nfs/dbraw/zinc/87/07/23/1077870723.db2.gz CZNQYRCFDAKHPH-HXUWFJFHSA-N 1 2 404.467 0.588 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)NC(=O)N[C@@H]1C ZINC000762623262 1077871724 /nfs/dbraw/zinc/87/17/24/1077871724.db2.gz JJRRQPYRRVLWJM-NEPJUHHUSA-N 1 2 406.443 0.220 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)NC(=O)N[C@@H]1C ZINC000762623262 1077871723 /nfs/dbraw/zinc/87/17/23/1077871723.db2.gz JJRRQPYRRVLWJM-NEPJUHHUSA-N 1 2 406.443 0.220 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)NC(=O)N[C@H]1C ZINC000762623266 1077871721 /nfs/dbraw/zinc/87/17/21/1077871721.db2.gz JJRRQPYRRVLWJM-NWDGAFQWSA-N 1 2 406.443 0.220 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)NC(=O)N[C@H]1C ZINC000762623266 1077871720 /nfs/dbraw/zinc/87/17/20/1077871720.db2.gz JJRRQPYRRVLWJM-NWDGAFQWSA-N 1 2 406.443 0.220 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)NC(=O)N[C@H]1C ZINC000762623270 1077871738 /nfs/dbraw/zinc/87/17/38/1077871738.db2.gz JJRRQPYRRVLWJM-RYUDHWBXSA-N 1 2 406.443 0.220 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)NC(=O)N[C@H]1C ZINC000762623270 1077871737 /nfs/dbraw/zinc/87/17/37/1077871737.db2.gz JJRRQPYRRVLWJM-RYUDHWBXSA-N 1 2 406.443 0.220 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)NC(=O)N[C@@H]1C ZINC000762623272 1077871718 /nfs/dbraw/zinc/87/17/18/1077871718.db2.gz JJRRQPYRRVLWJM-VXGBXAGGSA-N 1 2 406.443 0.220 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)NC(=O)N[C@@H]1C ZINC000762623272 1077871717 /nfs/dbraw/zinc/87/17/17/1077871717.db2.gz JJRRQPYRRVLWJM-VXGBXAGGSA-N 1 2 406.443 0.220 20 0 HCADLO COC(=O)c1cn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762624955 1077869865 /nfs/dbraw/zinc/86/98/65/1077869865.db2.gz QGMAYBOEVSUNNU-GHMZBOCLSA-N 1 2 406.468 0.889 20 0 HCADLO COC(=O)c1cn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762624955 1077869863 /nfs/dbraw/zinc/86/98/63/1077869863.db2.gz QGMAYBOEVSUNNU-GHMZBOCLSA-N 1 2 406.468 0.889 20 0 HCADLO COC(=O)c1cn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762624957 1077869788 /nfs/dbraw/zinc/86/97/88/1077869788.db2.gz QGMAYBOEVSUNNU-MNOVXSKESA-N 1 2 406.468 0.889 20 0 HCADLO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762624957 1077869784 /nfs/dbraw/zinc/86/97/84/1077869784.db2.gz QGMAYBOEVSUNNU-MNOVXSKESA-N 1 2 406.468 0.889 20 0 HCADLO COC(=O)c1cn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762624959 1077869798 /nfs/dbraw/zinc/86/97/98/1077869798.db2.gz QGMAYBOEVSUNNU-QWRGUYRKSA-N 1 2 406.468 0.889 20 0 HCADLO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762624959 1077869796 /nfs/dbraw/zinc/86/97/96/1077869796.db2.gz QGMAYBOEVSUNNU-QWRGUYRKSA-N 1 2 406.468 0.889 20 0 HCADLO COC(=O)c1cn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762624961 1077869807 /nfs/dbraw/zinc/86/98/07/1077869807.db2.gz QGMAYBOEVSUNNU-WDEREUQCSA-N 1 2 406.468 0.889 20 0 HCADLO COC(=O)c1cn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762624961 1077869804 /nfs/dbraw/zinc/86/98/04/1077869804.db2.gz QGMAYBOEVSUNNU-WDEREUQCSA-N 1 2 406.468 0.889 20 0 HCADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C)(CO)CC3)C2=O)c1 ZINC000762626468 1077871907 /nfs/dbraw/zinc/87/19/07/1077871907.db2.gz VWFNRQJAVMXZCQ-FQEVSTJZSA-N 1 2 404.467 0.588 20 0 HCADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C)(CO)CC3)C2=O)c1 ZINC000762626469 1077871970 /nfs/dbraw/zinc/87/19/70/1077871970.db2.gz VWFNRQJAVMXZCQ-HXUWFJFHSA-N 1 2 404.467 0.588 20 0 HCADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NN1CCc2ccccc2C1=O ZINC000762646032 1077874488 /nfs/dbraw/zinc/87/44/88/1077874488.db2.gz QNWHYEAHLTVKOJ-GOSISDBHSA-N 1 2 400.479 0.429 20 0 HCADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NN1CCc2ccccc2C1=O ZINC000762646034 1077874695 /nfs/dbraw/zinc/87/46/95/1077874695.db2.gz QNWHYEAHLTVKOJ-SFHVURJKSA-N 1 2 400.479 0.429 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCc3ccnn3C)cc2)CC1 ZINC000762693613 1077885661 /nfs/dbraw/zinc/88/56/61/1077885661.db2.gz QTBGOVLOHQWSGB-UHFFFAOYSA-N 1 2 412.494 0.382 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NCC[N@@H+]3CC=C(C)CC3)n2c(NCC)[nH+]1 ZINC000762701768 1077885583 /nfs/dbraw/zinc/88/55/83/1077885583.db2.gz QZYXYJRGVLIZAV-UHFFFAOYSA-N 1 2 419.559 0.665 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NCC[N@H+]3CC=C(C)CC3)n2c(NCC)[nH+]1 ZINC000762701768 1077885579 /nfs/dbraw/zinc/88/55/79/1077885579.db2.gz QZYXYJRGVLIZAV-UHFFFAOYSA-N 1 2 419.559 0.665 20 0 HCADLO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C)[nH+]c3N(C)C)C2)nn1 ZINC000762703627 1077887695 /nfs/dbraw/zinc/88/76/95/1077887695.db2.gz CZLHTPHUTDYTQJ-CYBMUJFWSA-N 1 2 415.454 0.636 20 0 HCADLO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C)[nH+]c3N(C)C)C2)nn1 ZINC000762703640 1077887720 /nfs/dbraw/zinc/88/77/20/1077887720.db2.gz CZLHTPHUTDYTQJ-ZDUSSCGKSA-N 1 2 415.454 0.636 20 0 HCADLO CC(C)(C)OC(=O)N1CC(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000762710876 1077890304 /nfs/dbraw/zinc/89/03/04/1077890304.db2.gz AVRFDABNGSVQGA-INIZCTEOSA-N 1 2 410.515 0.150 20 0 HCADLO CC(C)(C)OC(=O)N1CC(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000762710877 1077890333 /nfs/dbraw/zinc/89/03/33/1077890333.db2.gz AVRFDABNGSVQGA-MRXNPFEDSA-N 1 2 410.515 0.150 20 0 HCADLO CC(=O)N[C@H]1CCCN(C(=O)CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000762717380 1077891315 /nfs/dbraw/zinc/89/13/15/1077891315.db2.gz GQLYYUZAIRDTPU-IBGZPJMESA-N 1 2 417.510 0.492 20 0 HCADLO CC(=O)N[C@@H]1CCCN(C(=O)CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000762717384 1077891257 /nfs/dbraw/zinc/89/12/57/1077891257.db2.gz GQLYYUZAIRDTPU-LJQANCHMSA-N 1 2 417.510 0.492 20 0 HCADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC(=O)N[C@@H](C)C(=O)N(C)C)c2)n1 ZINC000762723463 1077889285 /nfs/dbraw/zinc/88/92/85/1077889285.db2.gz PKRDBHJOUWOWJC-HNNXBMFYSA-N 1 2 400.483 0.988 20 0 HCADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC(=O)N[C@H](C)C(=O)N(C)C)c2)n1 ZINC000762723467 1077889266 /nfs/dbraw/zinc/88/92/66/1077889266.db2.gz PKRDBHJOUWOWJC-OAHLLOKOSA-N 1 2 400.483 0.988 20 0 HCADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2[nH]c1=S ZINC000762725693 1077889893 /nfs/dbraw/zinc/88/98/93/1077889893.db2.gz XXJOKKGMIWXLNE-IBGZPJMESA-N 1 2 406.508 0.518 20 0 HCADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2[nH]c1=S ZINC000762725693 1077889891 /nfs/dbraw/zinc/88/98/91/1077889891.db2.gz XXJOKKGMIWXLNE-IBGZPJMESA-N 1 2 406.508 0.518 20 0 HCADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2[nH]c1=S ZINC000762725696 1077889986 /nfs/dbraw/zinc/88/99/86/1077889986.db2.gz XXJOKKGMIWXLNE-LJQANCHMSA-N 1 2 406.508 0.518 20 0 HCADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2[nH]c1=S ZINC000762725696 1077889985 /nfs/dbraw/zinc/88/99/85/1077889985.db2.gz XXJOKKGMIWXLNE-LJQANCHMSA-N 1 2 406.508 0.518 20 0 HCADLO Cc1sc(Cl)nc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000762846495 1077900639 /nfs/dbraw/zinc/90/06/39/1077900639.db2.gz HWTMCYYPTGELGI-UHFFFAOYSA-N 1 2 407.949 0.355 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(NC=O)cc2)CC1 ZINC000762854776 1077901311 /nfs/dbraw/zinc/90/13/11/1077901311.db2.gz IZRICSFGIDWTTF-UHFFFAOYSA-N 1 2 423.433 0.437 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000762874217 1077905139 /nfs/dbraw/zinc/90/51/39/1077905139.db2.gz KKARBVFHNZJPTB-UHFFFAOYSA-N 1 2 424.504 0.292 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000762875974 1077908171 /nfs/dbraw/zinc/90/81/71/1077908171.db2.gz VTMLMVAWBFVDIF-UHFFFAOYSA-N 1 2 424.504 0.292 20 0 HCADLO CCOC(=O)C(C)(C)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000762879037 1077908872 /nfs/dbraw/zinc/90/88/72/1077908872.db2.gz NZBSEVUJTAMHNY-UHFFFAOYSA-N 1 2 418.454 0.144 20 0 HCADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c[nH]1 ZINC000762916728 1077913109 /nfs/dbraw/zinc/91/31/09/1077913109.db2.gz QUUGAJAUXXXHHV-UHFFFAOYSA-N 1 2 403.420 0.321 20 0 HCADLO NS(=O)(=O)c1scnc1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000762945171 1077956628 /nfs/dbraw/zinc/95/66/28/1077956628.db2.gz KLLZGLGWOIBOMH-UHFFFAOYSA-N 1 2 424.504 0.292 20 0 HCADLO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000762981707 1077986243 /nfs/dbraw/zinc/98/62/43/1077986243.db2.gz OZHNAUODNAAXJU-QGZVFWFLSA-N 1 2 416.503 0.019 20 0 HCADLO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000762981707 1077986235 /nfs/dbraw/zinc/98/62/35/1077986235.db2.gz OZHNAUODNAAXJU-QGZVFWFLSA-N 1 2 416.503 0.019 20 0 HCADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1C ZINC000763030048 1077998282 /nfs/dbraw/zinc/99/82/82/1077998282.db2.gz ODKBJTYOTGOYCQ-CYBMUJFWSA-N 1 2 420.491 0.789 20 0 HCADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1C ZINC000763030066 1077999023 /nfs/dbraw/zinc/99/90/23/1077999023.db2.gz ODKBJTYOTGOYCQ-ZDUSSCGKSA-N 1 2 420.491 0.789 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000763030368 1077998391 /nfs/dbraw/zinc/99/83/91/1077998391.db2.gz QXRIYROGLODDEZ-BBRMVZONSA-N 1 2 421.523 0.880 20 0 HCADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000763030370 1077998095 /nfs/dbraw/zinc/99/80/95/1077998095.db2.gz QXRIYROGLODDEZ-CJNGLKHVSA-N 1 2 421.523 0.880 20 0 HCADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000763030380 1077998186 /nfs/dbraw/zinc/99/81/86/1077998186.db2.gz QXRIYROGLODDEZ-CZUORRHYSA-N 1 2 421.523 0.880 20 0 HCADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000763030382 1077998445 /nfs/dbraw/zinc/99/84/45/1077998445.db2.gz QXRIYROGLODDEZ-XJKSGUPXSA-N 1 2 421.523 0.880 20 0 HCADLO CC(C)NS(=O)(=O)c1cccnc1NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000763033304 1077997318 /nfs/dbraw/zinc/99/73/18/1077997318.db2.gz CVDDFYBXGWHNCL-UHFFFAOYSA-N 1 2 404.558 0.689 20 0 HCADLO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCCn2cc[nH+]c2)cc1 ZINC000763106192 1078004522 /nfs/dbraw/zinc/00/45/22/1078004522.db2.gz GMEHMGMQKWCCSR-UHFFFAOYSA-N 1 2 408.480 0.887 20 0 HCADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000763111573 1078004764 /nfs/dbraw/zinc/00/47/64/1078004764.db2.gz AINUHQKHHJCYKA-UHFFFAOYSA-N 1 2 408.480 0.827 20 0 HCADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCCn3cc[nH+]c3)c2)CC1 ZINC000763114459 1078006660 /nfs/dbraw/zinc/00/66/60/1078006660.db2.gz IFGSALNISYQORK-UHFFFAOYSA-N 1 2 406.464 0.593 20 0 HCADLO Cn1cc([C@H](CO)[NH2+]CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cn1 ZINC000763120317 1078007306 /nfs/dbraw/zinc/00/73/06/1078007306.db2.gz JPNPJRNPEZOMGE-JXFKEZNVSA-N 1 2 414.466 0.018 20 0 HCADLO Cn1cc([C@H](CO)[NH2+]CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cn1 ZINC000763120319 1078007365 /nfs/dbraw/zinc/00/73/65/1078007365.db2.gz JPNPJRNPEZOMGE-OXJNMPFZSA-N 1 2 414.466 0.018 20 0 HCADLO Cn1cc([C@@H](CO)[NH2+]CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cn1 ZINC000763120321 1078007341 /nfs/dbraw/zinc/00/73/41/1078007341.db2.gz JPNPJRNPEZOMGE-OXQOHEQNSA-N 1 2 414.466 0.018 20 0 HCADLO Cn1cc([C@@H](CO)[NH2+]CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cn1 ZINC000763120323 1078007244 /nfs/dbraw/zinc/00/72/44/1078007244.db2.gz JPNPJRNPEZOMGE-UZLBHIALSA-N 1 2 414.466 0.018 20 0 HCADLO CC(C)[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1nc(-c2nc[nH]n2)no1 ZINC000763135496 1078007947 /nfs/dbraw/zinc/00/79/47/1078007947.db2.gz NUAFDBPXWRRNLW-AWEZNQCLSA-N 1 2 405.459 0.943 20 0 HCADLO CC(C)[C@@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1nc(-c2nc[nH]n2)no1 ZINC000763135499 1078007903 /nfs/dbraw/zinc/00/79/03/1078007903.db2.gz NUAFDBPXWRRNLW-CQSZACIVSA-N 1 2 405.459 0.943 20 0 HCADLO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)CC1 ZINC000763136312 1078008428 /nfs/dbraw/zinc/00/84/28/1078008428.db2.gz ZYAYMIMMOLBOQT-CYBMUJFWSA-N 1 2 406.447 0.442 20 0 HCADLO CCOC(=O)N1CCN(C(=O)C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)CC1 ZINC000763136320 1078008416 /nfs/dbraw/zinc/00/84/16/1078008416.db2.gz ZYAYMIMMOLBOQT-ZDUSSCGKSA-N 1 2 406.447 0.442 20 0 HCADLO O=C(NCCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1)C(F)(F)F ZINC000763186352 1078026163 /nfs/dbraw/zinc/02/61/63/1078026163.db2.gz TVKAKTOCTXZPPH-UHFFFAOYSA-N 1 2 402.421 0.504 20 0 HCADLO O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000763208248 1078033151 /nfs/dbraw/zinc/03/31/51/1078033151.db2.gz HWWLGPXJLJYBMD-PBHICJAKSA-N 1 2 413.877 0.809 20 0 HCADLO O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000763208250 1078033247 /nfs/dbraw/zinc/03/32/47/1078033247.db2.gz HWWLGPXJLJYBMD-RHSMWYFYSA-N 1 2 413.877 0.809 20 0 HCADLO O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000763208252 1078033120 /nfs/dbraw/zinc/03/31/20/1078033120.db2.gz HWWLGPXJLJYBMD-WMLDXEAASA-N 1 2 413.877 0.809 20 0 HCADLO O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000763208253 1078033190 /nfs/dbraw/zinc/03/31/90/1078033190.db2.gz HWWLGPXJLJYBMD-YOEHRIQHSA-N 1 2 413.877 0.809 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000763237654 1078038836 /nfs/dbraw/zinc/03/88/36/1078038836.db2.gz ZLWQJHMMJOBCKD-AWEZNQCLSA-N 1 2 416.463 0.866 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000763237654 1078038829 /nfs/dbraw/zinc/03/88/29/1078038829.db2.gz ZLWQJHMMJOBCKD-AWEZNQCLSA-N 1 2 416.463 0.866 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000763237999 1078038648 /nfs/dbraw/zinc/03/86/48/1078038648.db2.gz WZBSDTYXEHKPIB-CYBMUJFWSA-N 1 2 411.553 0.837 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000763238000 1078038475 /nfs/dbraw/zinc/03/84/75/1078038475.db2.gz WZBSDTYXEHKPIB-ZDUSSCGKSA-N 1 2 411.553 0.837 20 0 HCADLO CC[C@@H](c1nnc(SCC(=O)N(C)OC)n1CCN1CCOCC1)[NH+](C)C ZINC000763244982 1078039039 /nfs/dbraw/zinc/03/90/39/1078039039.db2.gz PMAVDCYZFBONIO-AWEZNQCLSA-N 1 2 400.549 0.735 20 0 HCADLO CC[C@H](c1nnc(SCC(=O)N(C)OC)n1CCN1CCOCC1)[NH+](C)C ZINC000763244989 1078038963 /nfs/dbraw/zinc/03/89/63/1078038963.db2.gz PMAVDCYZFBONIO-CQSZACIVSA-N 1 2 400.549 0.735 20 0 HCADLO O=Cc1ccc(OCCn2cc(C(=O)N3CC[NH+](CCO)CC3)nn2)c(Cl)c1 ZINC000763255794 1078042882 /nfs/dbraw/zinc/04/28/82/1078042882.db2.gz OCWRRAKOIJWGIE-UHFFFAOYSA-N 1 2 407.858 0.573 20 0 HCADLO CC(=O)CCCCCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000763275841 1078047647 /nfs/dbraw/zinc/04/76/47/1078047647.db2.gz BHSQVYQUWSKECP-UHFFFAOYSA-N 1 2 402.561 0.552 20 0 HCADLO Cc1nc(Cl)ccc1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000763275879 1078047665 /nfs/dbraw/zinc/04/76/65/1078047665.db2.gz CWCCIIMSASVWHS-UHFFFAOYSA-N 1 2 415.947 0.222 20 0 HCADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCCCn3cc[nH+]c3)c2)CC1 ZINC000763287231 1078048653 /nfs/dbraw/zinc/04/86/53/1078048653.db2.gz KQTOXPQJRRTSET-UHFFFAOYSA-N 1 2 420.491 0.983 20 0 HCADLO CN(C)c1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc[nH+]1 ZINC000763288487 1078048629 /nfs/dbraw/zinc/04/86/29/1078048629.db2.gz VWBSXTIGIZXMGG-UHFFFAOYSA-N 1 2 420.491 0.989 20 0 HCADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)Nc1cccnc1Cl ZINC000763301309 1078049593 /nfs/dbraw/zinc/04/95/93/1078049593.db2.gz OLNBEAIEVIUJTQ-UHFFFAOYSA-N 1 2 409.830 0.187 20 0 HCADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC1CCCCCCC1 ZINC000763302170 1078049553 /nfs/dbraw/zinc/04/95/53/1078049553.db2.gz SRRHUSDUHBQHBR-UHFFFAOYSA-N 1 2 408.499 0.729 20 0 HCADLO C[C@H]1CN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763334233 1078051925 /nfs/dbraw/zinc/05/19/25/1078051925.db2.gz JLCXDYHHXUWEBE-DOTOQJQBSA-N 1 2 414.506 0.902 20 0 HCADLO C[C@@H]1CN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763334240 1078052012 /nfs/dbraw/zinc/05/20/12/1078052012.db2.gz JLCXDYHHXUWEBE-NVXWUHKLSA-N 1 2 414.506 0.902 20 0 HCADLO C[C@H]1CN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763334244 1078051948 /nfs/dbraw/zinc/05/19/48/1078051948.db2.gz JLCXDYHHXUWEBE-RDJZCZTQSA-N 1 2 414.506 0.902 20 0 HCADLO C[C@@H]1CN(CN2c3cc4c(cc3C(=O)C2=O)OCCO4)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763334246 1078052059 /nfs/dbraw/zinc/05/20/59/1078052059.db2.gz JLCXDYHHXUWEBE-WBVHZDCISA-N 1 2 414.506 0.902 20 0 HCADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CC1 ZINC000763352102 1078056588 /nfs/dbraw/zinc/05/65/88/1078056588.db2.gz XFGASEFPKATCOX-AWEZNQCLSA-N 1 2 421.885 0.962 20 0 HCADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CC1 ZINC000763352104 1078056659 /nfs/dbraw/zinc/05/66/59/1078056659.db2.gz XFGASEFPKATCOX-CQSZACIVSA-N 1 2 421.885 0.962 20 0 HCADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000763355630 1078066271 /nfs/dbraw/zinc/06/62/71/1078066271.db2.gz YUVAPFGLHBBXSS-CVEARBPZSA-N 1 2 404.533 0.238 20 0 HCADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000763355637 1078066314 /nfs/dbraw/zinc/06/63/14/1078066314.db2.gz YUVAPFGLHBBXSS-HOTGVXAUSA-N 1 2 404.533 0.238 20 0 HCADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000763355641 1078066374 /nfs/dbraw/zinc/06/63/74/1078066374.db2.gz YUVAPFGLHBBXSS-HZPDHXFCSA-N 1 2 404.533 0.238 20 0 HCADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000763355643 1078066362 /nfs/dbraw/zinc/06/63/62/1078066362.db2.gz YUVAPFGLHBBXSS-JKSUJKDBSA-N 1 2 404.533 0.238 20 0 HCADLO O=C(COC(=O)c1cc2n(n1)CCCO2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000763363409 1078076657 /nfs/dbraw/zinc/07/66/57/1078076657.db2.gz DZRRMCCOISMWCV-UHFFFAOYSA-N 1 2 414.462 0.971 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2Cc3ccccc3C2)CC1 ZINC000763392037 1078098475 /nfs/dbraw/zinc/09/84/75/1078098475.db2.gz OICZVRJFXWIYBG-UHFFFAOYSA-N 1 2 420.473 0.970 20 0 HCADLO O=C(CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000763442603 1079005801 /nfs/dbraw/zinc/00/58/01/1079005801.db2.gz UVOOQPGMNBPIJR-MSOLQXFVSA-N 1 2 415.494 0.933 20 0 HCADLO O=C(CC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000763442603 1079005795 /nfs/dbraw/zinc/00/57/95/1079005795.db2.gz UVOOQPGMNBPIJR-MSOLQXFVSA-N 1 2 415.494 0.933 20 0 HCADLO O=C(CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000763442605 1079005646 /nfs/dbraw/zinc/00/56/46/1079005646.db2.gz UVOOQPGMNBPIJR-QZTJIDSGSA-N 1 2 415.494 0.933 20 0 HCADLO O=C(CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000763442605 1079005639 /nfs/dbraw/zinc/00/56/39/1079005639.db2.gz UVOOQPGMNBPIJR-QZTJIDSGSA-N 1 2 415.494 0.933 20 0 HCADLO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000763442607 1079005858 /nfs/dbraw/zinc/00/58/58/1079005858.db2.gz UVOOQPGMNBPIJR-ROUUACIJSA-N 1 2 415.494 0.933 20 0 HCADLO O=C(CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000763442607 1079005850 /nfs/dbraw/zinc/00/58/50/1079005850.db2.gz UVOOQPGMNBPIJR-ROUUACIJSA-N 1 2 415.494 0.933 20 0 HCADLO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000763442609 1079005779 /nfs/dbraw/zinc/00/57/79/1079005779.db2.gz UVOOQPGMNBPIJR-ZWKOTPCHSA-N 1 2 415.494 0.933 20 0 HCADLO O=C(CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000763442609 1079005770 /nfs/dbraw/zinc/00/57/70/1079005770.db2.gz UVOOQPGMNBPIJR-ZWKOTPCHSA-N 1 2 415.494 0.933 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000763446033 1079052668 /nfs/dbraw/zinc/05/26/68/1079052668.db2.gz FXHBYNNOFXLGOF-MOPGFXCFSA-N 1 2 405.495 0.939 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000763446037 1079053001 /nfs/dbraw/zinc/05/30/01/1079053001.db2.gz FXHBYNNOFXLGOF-OALUTQOASA-N 1 2 405.495 0.939 20 0 HCADLO Cc1cc(N2CCN(C(=O)CN3CCN4C(=O)OC[C@@H]4C3)CC2)nc(C(C)C)[nH+]1 ZINC000763456711 1078505008 /nfs/dbraw/zinc/50/50/08/1078505008.db2.gz VOBKCWQOPMRKHH-INIZCTEOSA-N 1 2 402.499 0.693 20 0 HCADLO Cc1cc(N2CCN(C(=O)CN3CCN4C(=O)OC[C@H]4C3)CC2)nc(C(C)C)[nH+]1 ZINC000763456713 1078505071 /nfs/dbraw/zinc/50/50/71/1078505071.db2.gz VOBKCWQOPMRKHH-MRXNPFEDSA-N 1 2 402.499 0.693 20 0 HCADLO O=C1OC[C@@H]2C[N@@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN12 ZINC000763459791 1078586030 /nfs/dbraw/zinc/58/60/30/1078586030.db2.gz STMQCZORPDAXMA-HNNXBMFYSA-N 1 2 411.480 0.223 20 0 HCADLO O=C1OC[C@@H]2C[N@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN12 ZINC000763459791 1078586021 /nfs/dbraw/zinc/58/60/21/1078586021.db2.gz STMQCZORPDAXMA-HNNXBMFYSA-N 1 2 411.480 0.223 20 0 HCADLO O=C1OC[C@H]2C[N@@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN12 ZINC000763459795 1078585871 /nfs/dbraw/zinc/58/58/71/1078585871.db2.gz STMQCZORPDAXMA-OAHLLOKOSA-N 1 2 411.480 0.223 20 0 HCADLO O=C1OC[C@H]2C[N@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN12 ZINC000763459795 1078585857 /nfs/dbraw/zinc/58/58/57/1078585857.db2.gz STMQCZORPDAXMA-OAHLLOKOSA-N 1 2 411.480 0.223 20 0 HCADLO C[N@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763469344 1078694540 /nfs/dbraw/zinc/69/45/40/1078694540.db2.gz MOENYGAEAZRDMV-AWEZNQCLSA-N 1 2 423.514 0.518 20 0 HCADLO C[N@@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763469344 1078694537 /nfs/dbraw/zinc/69/45/37/1078694537.db2.gz MOENYGAEAZRDMV-AWEZNQCLSA-N 1 2 423.514 0.518 20 0 HCADLO C[N@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763469345 1078694389 /nfs/dbraw/zinc/69/43/89/1078694389.db2.gz MOENYGAEAZRDMV-CQSZACIVSA-N 1 2 423.514 0.518 20 0 HCADLO C[N@@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763469345 1078694383 /nfs/dbraw/zinc/69/43/83/1078694383.db2.gz MOENYGAEAZRDMV-CQSZACIVSA-N 1 2 423.514 0.518 20 0 HCADLO C[N@H+]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470178 1078691952 /nfs/dbraw/zinc/69/19/52/1078691952.db2.gz VEBCEKRKSNWGCQ-DMAKZNTKSA-N 1 2 423.514 0.422 20 0 HCADLO C[N@@H+]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470178 1078691949 /nfs/dbraw/zinc/69/19/49/1078691949.db2.gz VEBCEKRKSNWGCQ-DMAKZNTKSA-N 1 2 423.514 0.422 20 0 HCADLO C[N@H+]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470183 1078691915 /nfs/dbraw/zinc/69/19/15/1078691915.db2.gz VEBCEKRKSNWGCQ-LQZXRHCMSA-N 1 2 423.514 0.422 20 0 HCADLO C[N@@H+]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470183 1078691908 /nfs/dbraw/zinc/69/19/08/1078691908.db2.gz VEBCEKRKSNWGCQ-LQZXRHCMSA-N 1 2 423.514 0.422 20 0 HCADLO C[N@H+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470268 1078692413 /nfs/dbraw/zinc/69/24/13/1078692413.db2.gz AAHJIBZCKCMLNG-GFCCVEGCSA-N 1 2 420.474 0.455 20 0 HCADLO C[N@@H+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470268 1078692411 /nfs/dbraw/zinc/69/24/11/1078692411.db2.gz AAHJIBZCKCMLNG-GFCCVEGCSA-N 1 2 420.474 0.455 20 0 HCADLO C[N@H+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470273 1078692467 /nfs/dbraw/zinc/69/24/67/1078692467.db2.gz AAHJIBZCKCMLNG-LBPRGKRZSA-N 1 2 420.474 0.455 20 0 HCADLO C[N@@H+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470273 1078692461 /nfs/dbraw/zinc/69/24/61/1078692461.db2.gz AAHJIBZCKCMLNG-LBPRGKRZSA-N 1 2 420.474 0.455 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470729 1078699506 /nfs/dbraw/zinc/69/95/06/1078699506.db2.gz ZADOBRRQTBWYLG-CYBMUJFWSA-N 1 2 402.451 0.851 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470729 1078699503 /nfs/dbraw/zinc/69/95/03/1078699503.db2.gz ZADOBRRQTBWYLG-CYBMUJFWSA-N 1 2 402.451 0.851 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470730 1078699472 /nfs/dbraw/zinc/69/94/72/1078699472.db2.gz ZADOBRRQTBWYLG-ZDUSSCGKSA-N 1 2 402.451 0.851 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763470730 1078699467 /nfs/dbraw/zinc/69/94/67/1078699467.db2.gz ZADOBRRQTBWYLG-ZDUSSCGKSA-N 1 2 402.451 0.851 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)nc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763471430 1078710305 /nfs/dbraw/zinc/71/03/05/1078710305.db2.gz DBZGDKQRTACQOP-HNNXBMFYSA-N 1 2 401.471 0.943 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)nc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763471430 1078710301 /nfs/dbraw/zinc/71/03/01/1078710301.db2.gz DBZGDKQRTACQOP-HNNXBMFYSA-N 1 2 401.471 0.943 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)nc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763471431 1078710418 /nfs/dbraw/zinc/71/04/18/1078710418.db2.gz DBZGDKQRTACQOP-OAHLLOKOSA-N 1 2 401.471 0.943 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)nc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763471431 1078710414 /nfs/dbraw/zinc/71/04/14/1078710414.db2.gz DBZGDKQRTACQOP-OAHLLOKOSA-N 1 2 401.471 0.943 20 0 HCADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763471464 1078709209 /nfs/dbraw/zinc/70/92/09/1078709209.db2.gz DOLIGOOLRRYXCT-CYBMUJFWSA-N 1 2 409.487 0.796 20 0 HCADLO 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C[N@H+]1CCN(C(=O)CNC(=O)COc2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763471572 1078709767 /nfs/dbraw/zinc/70/97/67/1078709767.db2.gz FHNPLGOWMWZMNR-MRXNPFEDSA-N 1 2 420.510 0.849 20 0 HCADLO C[N@@H+]1CCN(C(=O)CNC(=O)COc2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763471572 1078709760 /nfs/dbraw/zinc/70/97/60/1078709760.db2.gz FHNPLGOWMWZMNR-MRXNPFEDSA-N 1 2 420.510 0.849 20 0 HCADLO C[C@H](C(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)n1cccn1 ZINC000763472146 1078707793 /nfs/dbraw/zinc/70/77/93/1078707793.db2.gz FRDXASWBLKNEAL-CVEARBPZSA-N 1 2 422.530 0.570 20 0 HCADLO C[C@H](C(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)n1cccn1 ZINC000763472146 1078707788 /nfs/dbraw/zinc/70/77/88/1078707788.db2.gz FRDXASWBLKNEAL-CVEARBPZSA-N 1 2 422.530 0.570 20 0 HCADLO C[C@@H](C(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)n1cccn1 ZINC000763472153 1078707632 /nfs/dbraw/zinc/70/76/32/1078707632.db2.gz FRDXASWBLKNEAL-HOTGVXAUSA-N 1 2 422.530 0.570 20 0 HCADLO C[C@@H](C(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)n1cccn1 ZINC000763472153 1078707625 /nfs/dbraw/zinc/70/76/25/1078707625.db2.gz FRDXASWBLKNEAL-HOTGVXAUSA-N 1 2 422.530 0.570 20 0 HCADLO C[C@H](C(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)n1cccn1 ZINC000763472156 1078707724 /nfs/dbraw/zinc/70/77/24/1078707724.db2.gz FRDXASWBLKNEAL-HZPDHXFCSA-N 1 2 422.530 0.570 20 0 HCADLO C[C@H](C(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)n1cccn1 ZINC000763472156 1078707717 /nfs/dbraw/zinc/70/77/17/1078707717.db2.gz FRDXASWBLKNEAL-HZPDHXFCSA-N 1 2 422.530 0.570 20 0 HCADLO C[C@@H](C(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)n1cccn1 ZINC000763472160 1078707817 /nfs/dbraw/zinc/70/78/17/1078707817.db2.gz FRDXASWBLKNEAL-JKSUJKDBSA-N 1 2 422.530 0.570 20 0 HCADLO C[C@@H](C(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)n1cccn1 ZINC000763472160 1078707815 /nfs/dbraw/zinc/70/78/15/1078707815.db2.gz FRDXASWBLKNEAL-JKSUJKDBSA-N 1 2 422.530 0.570 20 0 HCADLO C[N@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763472474 1078716947 /nfs/dbraw/zinc/71/69/47/1078716947.db2.gz KUMSEMABLBKOBI-AWEZNQCLSA-N 1 2 404.533 0.079 20 0 HCADLO C[N@@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763472474 1078716939 /nfs/dbraw/zinc/71/69/39/1078716939.db2.gz KUMSEMABLBKOBI-AWEZNQCLSA-N 1 2 404.533 0.079 20 0 HCADLO C[N@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763472475 1078717135 /nfs/dbraw/zinc/71/71/35/1078717135.db2.gz KUMSEMABLBKOBI-CQSZACIVSA-N 1 2 404.533 0.079 20 0 HCADLO C[N@@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763472475 1078717126 /nfs/dbraw/zinc/71/71/26/1078717126.db2.gz KUMSEMABLBKOBI-CQSZACIVSA-N 1 2 404.533 0.079 20 0 HCADLO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473267 1078710869 /nfs/dbraw/zinc/71/08/69/1078710869.db2.gz MQJOFTUQCIWLKG-JLTOFOAXSA-N 1 2 423.514 0.374 20 0 HCADLO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473267 1078710863 /nfs/dbraw/zinc/71/08/63/1078710863.db2.gz MQJOFTUQCIWLKG-JLTOFOAXSA-N 1 2 423.514 0.374 20 0 HCADLO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473270 1078710895 /nfs/dbraw/zinc/71/08/95/1078710895.db2.gz MQJOFTUQCIWLKG-VBKZILBWSA-N 1 2 423.514 0.374 20 0 HCADLO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473270 1078710887 /nfs/dbraw/zinc/71/08/87/1078710887.db2.gz MQJOFTUQCIWLKG-VBKZILBWSA-N 1 2 423.514 0.374 20 0 HCADLO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473272 1078710789 /nfs/dbraw/zinc/71/07/89/1078710789.db2.gz MQJOFTUQCIWLKG-VLIAUNLRSA-N 1 2 423.514 0.374 20 0 HCADLO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473272 1078710782 /nfs/dbraw/zinc/71/07/82/1078710782.db2.gz MQJOFTUQCIWLKG-VLIAUNLRSA-N 1 2 423.514 0.374 20 0 HCADLO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473273 1078710844 /nfs/dbraw/zinc/71/08/44/1078710844.db2.gz MQJOFTUQCIWLKG-XOBRGWDASA-N 1 2 423.514 0.374 20 0 HCADLO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473273 1078710839 /nfs/dbraw/zinc/71/08/39/1078710839.db2.gz MQJOFTUQCIWLKG-XOBRGWDASA-N 1 2 423.514 0.374 20 0 HCADLO CN(CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ncnc2nc[nH]c21 ZINC000763473749 1078717694 /nfs/dbraw/zinc/71/76/94/1078717694.db2.gz SNABNZSFDABLCE-CYBMUJFWSA-N 1 2 418.502 0.456 20 0 HCADLO CN(CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ncnc2nc[nH]c21 ZINC000763473749 1078717686 /nfs/dbraw/zinc/71/76/86/1078717686.db2.gz SNABNZSFDABLCE-CYBMUJFWSA-N 1 2 418.502 0.456 20 0 HCADLO CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ncnc2nc[nH]c21 ZINC000763473750 1078717584 /nfs/dbraw/zinc/71/75/84/1078717584.db2.gz SNABNZSFDABLCE-ZDUSSCGKSA-N 1 2 418.502 0.456 20 0 HCADLO CN(CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)c1ncnc2nc[nH]c21 ZINC000763473750 1078717579 /nfs/dbraw/zinc/71/75/79/1078717579.db2.gz SNABNZSFDABLCE-ZDUSSCGKSA-N 1 2 418.502 0.456 20 0 HCADLO C[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763474192 1078717094 /nfs/dbraw/zinc/71/70/94/1078717094.db2.gz YBDKBZAUTOHLSK-AWEZNQCLSA-N 1 2 416.482 0.459 20 0 HCADLO C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763474192 1078717086 /nfs/dbraw/zinc/71/70/86/1078717086.db2.gz YBDKBZAUTOHLSK-AWEZNQCLSA-N 1 2 416.482 0.459 20 0 HCADLO C[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763474193 1078717205 /nfs/dbraw/zinc/71/72/05/1078717205.db2.gz YBDKBZAUTOHLSK-CQSZACIVSA-N 1 2 416.482 0.459 20 0 HCADLO C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763474193 1078717198 /nfs/dbraw/zinc/71/71/98/1078717198.db2.gz YBDKBZAUTOHLSK-CQSZACIVSA-N 1 2 416.482 0.459 20 0 HCADLO C[N@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763475014 1078718690 /nfs/dbraw/zinc/71/86/90/1078718690.db2.gz XKEQPHSMZIHJRA-GFCCVEGCSA-N 1 2 409.512 0.630 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763475014 1078718688 /nfs/dbraw/zinc/71/86/88/1078718688.db2.gz XKEQPHSMZIHJRA-GFCCVEGCSA-N 1 2 409.512 0.630 20 0 HCADLO C[N@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763475016 1078718855 /nfs/dbraw/zinc/71/88/55/1078718855.db2.gz XKEQPHSMZIHJRA-LBPRGKRZSA-N 1 2 409.512 0.630 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763475016 1078718851 /nfs/dbraw/zinc/71/88/51/1078718851.db2.gz XKEQPHSMZIHJRA-LBPRGKRZSA-N 1 2 409.512 0.630 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763475266 1078720402 /nfs/dbraw/zinc/72/04/02/1078720402.db2.gz CXFORZBNWQIDJY-CYBMUJFWSA-N 1 2 417.466 0.497 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763475266 1078720398 /nfs/dbraw/zinc/72/03/98/1078720398.db2.gz CXFORZBNWQIDJY-CYBMUJFWSA-N 1 2 417.466 0.497 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763475270 1078720234 /nfs/dbraw/zinc/72/02/34/1078720234.db2.gz CXFORZBNWQIDJY-ZDUSSCGKSA-N 1 2 417.466 0.497 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763475270 1078720231 /nfs/dbraw/zinc/72/02/31/1078720231.db2.gz CXFORZBNWQIDJY-ZDUSSCGKSA-N 1 2 417.466 0.497 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(-n3cnnn3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763476289 1078726786 /nfs/dbraw/zinc/72/67/86/1078726786.db2.gz JZSXAVQISVSYCO-INIZCTEOSA-N 1 2 401.471 0.943 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc(-n3cnnn3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763476289 1078726783 /nfs/dbraw/zinc/72/67/83/1078726783.db2.gz JZSXAVQISVSYCO-INIZCTEOSA-N 1 2 401.471 0.943 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(-n3cnnn3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763476290 1078726775 /nfs/dbraw/zinc/72/67/75/1078726775.db2.gz JZSXAVQISVSYCO-MRXNPFEDSA-N 1 2 401.471 0.943 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc(-n3cnnn3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763476290 1078726770 /nfs/dbraw/zinc/72/67/70/1078726770.db2.gz JZSXAVQISVSYCO-MRXNPFEDSA-N 1 2 401.471 0.943 20 0 HCADLO COCCn1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1=O ZINC000763476630 1078736425 /nfs/dbraw/zinc/73/64/25/1078736425.db2.gz NOAQFQSKCCKZIK-INIZCTEOSA-N 1 2 408.499 0.776 20 0 HCADLO COCCn1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1=O ZINC000763476630 1078736419 /nfs/dbraw/zinc/73/64/19/1078736419.db2.gz NOAQFQSKCCKZIK-INIZCTEOSA-N 1 2 408.499 0.776 20 0 HCADLO COCCn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1=O ZINC000763476632 1078736302 /nfs/dbraw/zinc/73/63/02/1078736302.db2.gz NOAQFQSKCCKZIK-MRXNPFEDSA-N 1 2 408.499 0.776 20 0 HCADLO COCCn1cc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1=O ZINC000763476632 1078736295 /nfs/dbraw/zinc/73/62/95/1078736295.db2.gz NOAQFQSKCCKZIK-MRXNPFEDSA-N 1 2 408.499 0.776 20 0 HCADLO Cc1nnc(CN(C)CC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)n1C ZINC000763478577 1078767703 /nfs/dbraw/zinc/76/77/03/1078767703.db2.gz SNGJMMCMRIPUJJ-HNNXBMFYSA-N 1 2 409.535 0.223 20 0 HCADLO Cc1nnc(CN(C)CC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)n1C ZINC000763478577 1078767694 /nfs/dbraw/zinc/76/76/94/1078767694.db2.gz SNGJMMCMRIPUJJ-HNNXBMFYSA-N 1 2 409.535 0.223 20 0 HCADLO Cc1nnc(CN(C)CC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)n1C ZINC000763478583 1078767760 /nfs/dbraw/zinc/76/77/60/1078767760.db2.gz SNGJMMCMRIPUJJ-OAHLLOKOSA-N 1 2 409.535 0.223 20 0 HCADLO Cc1nnc(CN(C)CC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)n1C ZINC000763478583 1078767756 /nfs/dbraw/zinc/76/77/56/1078767756.db2.gz SNGJMMCMRIPUJJ-OAHLLOKOSA-N 1 2 409.535 0.223 20 0 HCADLO C[N@H+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763479077 1078757219 /nfs/dbraw/zinc/75/72/19/1078757219.db2.gz SWSGKOGEOJOLMJ-AWEZNQCLSA-N 1 2 416.478 0.950 20 0 HCADLO C[N@@H+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763479077 1078757209 /nfs/dbraw/zinc/75/72/09/1078757209.db2.gz SWSGKOGEOJOLMJ-AWEZNQCLSA-N 1 2 416.478 0.950 20 0 HCADLO C[N@H+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763479079 1078757322 /nfs/dbraw/zinc/75/73/22/1078757322.db2.gz SWSGKOGEOJOLMJ-CQSZACIVSA-N 1 2 416.478 0.950 20 0 HCADLO C[N@@H+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763479079 1078757314 /nfs/dbraw/zinc/75/73/14/1078757314.db2.gz SWSGKOGEOJOLMJ-CQSZACIVSA-N 1 2 416.478 0.950 20 0 HCADLO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763480656 1078768839 /nfs/dbraw/zinc/76/88/39/1078768839.db2.gz YJOFLUVCTMTDAI-DZGCQCFKSA-N 1 2 406.487 0.430 20 0 HCADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763480656 1078768830 /nfs/dbraw/zinc/76/88/30/1078768830.db2.gz YJOFLUVCTMTDAI-DZGCQCFKSA-N 1 2 406.487 0.430 20 0 HCADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763480657 1078769090 /nfs/dbraw/zinc/76/90/90/1078769090.db2.gz YJOFLUVCTMTDAI-HIFRSBDPSA-N 1 2 406.487 0.430 20 0 HCADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763480657 1078769083 /nfs/dbraw/zinc/76/90/83/1078769083.db2.gz YJOFLUVCTMTDAI-HIFRSBDPSA-N 1 2 406.487 0.430 20 0 HCADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763480658 1078768765 /nfs/dbraw/zinc/76/87/65/1078768765.db2.gz YJOFLUVCTMTDAI-UKRRQHHQSA-N 1 2 406.487 0.430 20 0 HCADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763480658 1078768760 /nfs/dbraw/zinc/76/87/60/1078768760.db2.gz YJOFLUVCTMTDAI-UKRRQHHQSA-N 1 2 406.487 0.430 20 0 HCADLO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763480659 1078768971 /nfs/dbraw/zinc/76/89/71/1078768971.db2.gz YJOFLUVCTMTDAI-ZFWWWQNUSA-N 1 2 406.487 0.430 20 0 HCADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763480659 1078768960 /nfs/dbraw/zinc/76/89/60/1078768960.db2.gz YJOFLUVCTMTDAI-ZFWWWQNUSA-N 1 2 406.487 0.430 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)c(=O)n2C ZINC000763658509 1079063526 /nfs/dbraw/zinc/06/35/26/1079063526.db2.gz IIJLILJBXQJWOW-CABCVRRESA-N 1 2 417.466 0.241 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)c(=O)n2C ZINC000763658509 1079063522 /nfs/dbraw/zinc/06/35/22/1079063522.db2.gz IIJLILJBXQJWOW-CABCVRRESA-N 1 2 417.466 0.241 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)c(=O)n2C ZINC000763658511 1079063320 /nfs/dbraw/zinc/06/33/20/1079063320.db2.gz IIJLILJBXQJWOW-GJZGRUSLSA-N 1 2 417.466 0.241 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)c(=O)n2C ZINC000763658511 1079063316 /nfs/dbraw/zinc/06/33/16/1079063316.db2.gz IIJLILJBXQJWOW-GJZGRUSLSA-N 1 2 417.466 0.241 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1)c(=O)n2C ZINC000763658513 1079063553 /nfs/dbraw/zinc/06/35/53/1079063553.db2.gz IIJLILJBXQJWOW-HUUCEWRRSA-N 1 2 417.466 0.241 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1)c(=O)n2C ZINC000763658513 1079063547 /nfs/dbraw/zinc/06/35/47/1079063547.db2.gz IIJLILJBXQJWOW-HUUCEWRRSA-N 1 2 417.466 0.241 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1)c(=O)n2C ZINC000763658515 1079063459 /nfs/dbraw/zinc/06/34/59/1079063459.db2.gz IIJLILJBXQJWOW-LSDHHAIUSA-N 1 2 417.466 0.241 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1)c(=O)n2C ZINC000763658515 1079063456 /nfs/dbraw/zinc/06/34/56/1079063456.db2.gz IIJLILJBXQJWOW-LSDHHAIUSA-N 1 2 417.466 0.241 20 0 HCADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC(N3CCCCC3=O)CC1)C2=O ZINC000763683024 1079075845 /nfs/dbraw/zinc/07/58/45/1079075845.db2.gz NYWWWTANFNRGTK-UHFFFAOYSA-N 1 2 419.526 0.995 20 0 HCADLO O=C(CN1CCN2C(=O)OC[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000763714306 1079093362 /nfs/dbraw/zinc/09/33/62/1079093362.db2.gz JDGIUDNDQNYXFS-GOSISDBHSA-N 1 2 400.479 0.402 20 0 HCADLO O=C(CN1CCN2C(=O)OC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000763714308 1079093493 /nfs/dbraw/zinc/09/34/93/1079093493.db2.gz JDGIUDNDQNYXFS-SFHVURJKSA-N 1 2 400.479 0.402 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000763787536 1079135129 /nfs/dbraw/zinc/13/51/29/1079135129.db2.gz YVHAZIMQAFEXTC-BZSNNMDCSA-N 1 2 421.494 0.111 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000763787537 1079135210 /nfs/dbraw/zinc/13/52/10/1079135210.db2.gz YVHAZIMQAFEXTC-KSZLIROESA-N 1 2 421.494 0.111 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000763787538 1079135079 /nfs/dbraw/zinc/13/50/79/1079135079.db2.gz YVHAZIMQAFEXTC-OKZBNKHCSA-N 1 2 421.494 0.111 20 0 HCADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000763787539 1079135189 /nfs/dbraw/zinc/13/51/89/1079135189.db2.gz YVHAZIMQAFEXTC-RCCFBDPRSA-N 1 2 421.494 0.111 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)(F)C1(O)CCC1 ZINC000763808739 1079169025 /nfs/dbraw/zinc/16/90/25/1079169025.db2.gz AVDHKQLJSSSMGO-UHFFFAOYSA-N 1 2 418.466 0.200 20 0 HCADLO CNc1ncc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000763811833 1079170023 /nfs/dbraw/zinc/17/00/23/1079170023.db2.gz ZCKZCDSUJIYHTK-UHFFFAOYSA-N 1 2 410.525 0.462 20 0 HCADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000763840959 1079178244 /nfs/dbraw/zinc/17/82/44/1079178244.db2.gz DXWDHFMKCKCNSY-AWEZNQCLSA-N 1 2 403.439 0.218 20 0 HCADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000763840961 1079178219 /nfs/dbraw/zinc/17/82/19/1079178219.db2.gz DXWDHFMKCKCNSY-CQSZACIVSA-N 1 2 403.439 0.218 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@@H]4C3)c2)CC1 ZINC000763860202 1079201166 /nfs/dbraw/zinc/20/11/66/1079201166.db2.gz ZIXMFWCKZXMLQE-GOSISDBHSA-N 1 2 415.494 0.426 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@H]4C3)c2)CC1 ZINC000763860207 1079201042 /nfs/dbraw/zinc/20/10/42/1079201042.db2.gz ZIXMFWCKZXMLQE-SFHVURJKSA-N 1 2 415.494 0.426 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C)C2=O)cc1 ZINC000763873152 1079206164 /nfs/dbraw/zinc/20/61/64/1079206164.db2.gz AGCIEAZVNBXOFB-FOIQADDNSA-N 1 2 422.482 0.211 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@H](CO)COC(C)C)C2=O)cc1 ZINC000763873152 1079206157 /nfs/dbraw/zinc/20/61/57/1079206157.db2.gz AGCIEAZVNBXOFB-FOIQADDNSA-N 1 2 422.482 0.211 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C)C2=O)cc1 ZINC000763873153 1079206089 /nfs/dbraw/zinc/20/60/89/1079206089.db2.gz AGCIEAZVNBXOFB-MGPUTAFESA-N 1 2 422.482 0.211 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@@H](CO)COC(C)C)C2=O)cc1 ZINC000763873153 1079206084 /nfs/dbraw/zinc/20/60/84/1079206084.db2.gz AGCIEAZVNBXOFB-MGPUTAFESA-N 1 2 422.482 0.211 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C)C2=O)cc1 ZINC000763873154 1079206058 /nfs/dbraw/zinc/20/60/58/1079206058.db2.gz AGCIEAZVNBXOFB-QRWLVFNGSA-N 1 2 422.482 0.211 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@H](CO)COC(C)C)C2=O)cc1 ZINC000763873154 1079206049 /nfs/dbraw/zinc/20/60/49/1079206049.db2.gz AGCIEAZVNBXOFB-QRWLVFNGSA-N 1 2 422.482 0.211 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C)C2=O)cc1 ZINC000763873155 1079206202 /nfs/dbraw/zinc/20/62/02/1079206202.db2.gz AGCIEAZVNBXOFB-YWZLYKJASA-N 1 2 422.482 0.211 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@@H](CO)COC(C)C)C2=O)cc1 ZINC000763873155 1079206196 /nfs/dbraw/zinc/20/61/96/1079206196.db2.gz AGCIEAZVNBXOFB-YWZLYKJASA-N 1 2 422.482 0.211 20 0 HCADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C)C2=O)c1 ZINC000763876061 1079206479 /nfs/dbraw/zinc/20/64/79/1079206479.db2.gz BWVLNNCAVHBRKO-FOIQADDNSA-N 1 2 422.482 0.211 20 0 HCADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@H](CO)COC(C)C)C2=O)c1 ZINC000763876061 1079206469 /nfs/dbraw/zinc/20/64/69/1079206469.db2.gz BWVLNNCAVHBRKO-FOIQADDNSA-N 1 2 422.482 0.211 20 0 HCADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C)C2=O)c1 ZINC000763876067 1079206615 /nfs/dbraw/zinc/20/66/15/1079206615.db2.gz BWVLNNCAVHBRKO-MGPUTAFESA-N 1 2 422.482 0.211 20 0 HCADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@@H](CO)COC(C)C)C2=O)c1 ZINC000763876067 1079206603 /nfs/dbraw/zinc/20/66/03/1079206603.db2.gz BWVLNNCAVHBRKO-MGPUTAFESA-N 1 2 422.482 0.211 20 0 HCADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C)C2=O)c1 ZINC000763876073 1079206578 /nfs/dbraw/zinc/20/65/78/1079206578.db2.gz BWVLNNCAVHBRKO-QRWLVFNGSA-N 1 2 422.482 0.211 20 0 HCADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@H](CO)COC(C)C)C2=O)c1 ZINC000763876073 1079206570 /nfs/dbraw/zinc/20/65/70/1079206570.db2.gz BWVLNNCAVHBRKO-QRWLVFNGSA-N 1 2 422.482 0.211 20 0 HCADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C)C2=O)c1 ZINC000763876077 1079206540 /nfs/dbraw/zinc/20/65/40/1079206540.db2.gz BWVLNNCAVHBRKO-YWZLYKJASA-N 1 2 422.482 0.211 20 0 HCADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@@H](CO)COC(C)C)C2=O)c1 ZINC000763876077 1079206528 /nfs/dbraw/zinc/20/65/28/1079206528.db2.gz BWVLNNCAVHBRKO-YWZLYKJASA-N 1 2 422.482 0.211 20 0 HCADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000763876677 1079206409 /nfs/dbraw/zinc/20/64/09/1079206409.db2.gz YOWOPEKHJURKJI-UHFFFAOYSA-N 1 2 412.512 0.447 20 0 HCADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C)C1=O ZINC000763879117 1079206826 /nfs/dbraw/zinc/20/68/26/1079206826.db2.gz NLNXXBQCQDGXQF-JXFKEZNVSA-N 1 2 406.483 0.593 20 0 HCADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)[C@@H](CO)COC(C)C)C1=O ZINC000763879117 1079206817 /nfs/dbraw/zinc/20/68/17/1079206817.db2.gz NLNXXBQCQDGXQF-JXFKEZNVSA-N 1 2 406.483 0.593 20 0 HCADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C)C1=O ZINC000763879118 1079206981 /nfs/dbraw/zinc/20/69/81/1079206981.db2.gz NLNXXBQCQDGXQF-OXJNMPFZSA-N 1 2 406.483 0.593 20 0 HCADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)[C@@H](CO)COC(C)C)C1=O ZINC000763879118 1079206976 /nfs/dbraw/zinc/20/69/76/1079206976.db2.gz NLNXXBQCQDGXQF-OXJNMPFZSA-N 1 2 406.483 0.593 20 0 HCADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C)C1=O ZINC000763879119 1079206883 /nfs/dbraw/zinc/20/68/83/1079206883.db2.gz NLNXXBQCQDGXQF-OXQOHEQNSA-N 1 2 406.483 0.593 20 0 HCADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)[C@H](CO)COC(C)C)C1=O ZINC000763879119 1079206875 /nfs/dbraw/zinc/20/68/75/1079206875.db2.gz NLNXXBQCQDGXQF-OXQOHEQNSA-N 1 2 406.483 0.593 20 0 HCADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C)C1=O ZINC000763879121 1079206908 /nfs/dbraw/zinc/20/69/08/1079206908.db2.gz NLNXXBQCQDGXQF-UZLBHIALSA-N 1 2 406.483 0.593 20 0 HCADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)[C@H](CO)COC(C)C)C1=O ZINC000763879121 1079206902 /nfs/dbraw/zinc/20/69/02/1079206902.db2.gz NLNXXBQCQDGXQF-UZLBHIALSA-N 1 2 406.483 0.593 20 0 HCADLO CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000763885666 1079208389 /nfs/dbraw/zinc/20/83/89/1079208389.db2.gz XJKKIZSYJPEQFA-UHFFFAOYSA-N 1 2 424.567 0.654 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+](C)[C@@]2(CO)CCOC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000763892171 1079209877 /nfs/dbraw/zinc/20/98/77/1079209877.db2.gz AEKZSICNCYZPJG-GHTZIAJQSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1=C(C[N@H+](C)[C@@]2(CO)CCOC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000763892171 1079209871 /nfs/dbraw/zinc/20/98/71/1079209871.db2.gz AEKZSICNCYZPJG-GHTZIAJQSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1C(C[N@@H+](C)[C@@]2(CO)CCOC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000763892171 1079209863 /nfs/dbraw/zinc/20/98/63/1079209863.db2.gz AEKZSICNCYZPJG-GHTZIAJQSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1C(C[N@H+](C)[C@@]2(CO)CCOC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000763892171 1079209853 /nfs/dbraw/zinc/20/98/53/1079209853.db2.gz AEKZSICNCYZPJG-GHTZIAJQSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+](C)[C@]2(CO)CCOC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000763892173 1079209962 /nfs/dbraw/zinc/20/99/62/1079209962.db2.gz AEKZSICNCYZPJG-NQIIRXRSSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1=C(C[N@H+](C)[C@]2(CO)CCOC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000763892173 1079209956 /nfs/dbraw/zinc/20/99/56/1079209956.db2.gz AEKZSICNCYZPJG-NQIIRXRSSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1C(C[N@@H+](C)[C@]2(CO)CCOC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000763892173 1079209950 /nfs/dbraw/zinc/20/99/50/1079209950.db2.gz AEKZSICNCYZPJG-NQIIRXRSSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1C(C[N@H+](C)[C@]2(CO)CCOC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000763892173 1079209945 /nfs/dbraw/zinc/20/99/45/1079209945.db2.gz AEKZSICNCYZPJG-NQIIRXRSSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+](C)[C@]2(CO)CCOC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000763892175 1079209721 /nfs/dbraw/zinc/20/97/21/1079209721.db2.gz AEKZSICNCYZPJG-RXVVDRJESA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1=C(C[N@H+](C)[C@]2(CO)CCOC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000763892175 1079209717 /nfs/dbraw/zinc/20/97/17/1079209717.db2.gz AEKZSICNCYZPJG-RXVVDRJESA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1C(C[N@@H+](C)[C@]2(CO)CCOC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000763892175 1079209712 /nfs/dbraw/zinc/20/97/12/1079209712.db2.gz AEKZSICNCYZPJG-RXVVDRJESA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1C(C[N@H+](C)[C@]2(CO)CCOC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000763892175 1079209705 /nfs/dbraw/zinc/20/97/05/1079209705.db2.gz AEKZSICNCYZPJG-RXVVDRJESA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+](C)[C@@]2(CO)CCOC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000763892178 1079209765 /nfs/dbraw/zinc/20/97/65/1079209765.db2.gz AEKZSICNCYZPJG-WIYYLYMNSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1=C(C[N@H+](C)[C@@]2(CO)CCOC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000763892178 1079209757 /nfs/dbraw/zinc/20/97/57/1079209757.db2.gz AEKZSICNCYZPJG-WIYYLYMNSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1C(C[N@@H+](C)[C@@]2(CO)CCOC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000763892178 1079209752 /nfs/dbraw/zinc/20/97/52/1079209752.db2.gz AEKZSICNCYZPJG-WIYYLYMNSA-N 1 2 419.478 0.950 20 0 HCADLO CCOC(=O)C1C(C[N@H+](C)[C@@]2(CO)CCOC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000763892178 1079209743 /nfs/dbraw/zinc/20/97/43/1079209743.db2.gz AEKZSICNCYZPJG-WIYYLYMNSA-N 1 2 419.478 0.950 20 0 HCADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000763913007 1079214203 /nfs/dbraw/zinc/21/42/03/1079214203.db2.gz YLADATXOYBSDSN-UHFFFAOYSA-N 1 2 416.500 0.600 20 0 HCADLO C[N@@H+](CC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CCSC1 ZINC000763915860 1079216835 /nfs/dbraw/zinc/21/68/35/1079216835.db2.gz WYSFASDGXRDCPV-AWEZNQCLSA-N 1 2 408.549 0.717 20 0 HCADLO C[N@H+](CC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CCSC1 ZINC000763915860 1079216828 /nfs/dbraw/zinc/21/68/28/1079216828.db2.gz WYSFASDGXRDCPV-AWEZNQCLSA-N 1 2 408.549 0.717 20 0 HCADLO C[N@@H+](CC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCSC1 ZINC000763915862 1079212641 /nfs/dbraw/zinc/21/26/41/1079212641.db2.gz WYSFASDGXRDCPV-CQSZACIVSA-N 1 2 408.549 0.717 20 0 HCADLO C[N@H+](CC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCSC1 ZINC000763915862 1079212637 /nfs/dbraw/zinc/21/26/37/1079212637.db2.gz WYSFASDGXRDCPV-CQSZACIVSA-N 1 2 408.549 0.717 20 0 HCADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000763941965 1079219787 /nfs/dbraw/zinc/21/97/87/1079219787.db2.gz LFBPMAHFKDNKHX-HNNXBMFYSA-N 1 2 406.487 0.296 20 0 HCADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000763941967 1079219819 /nfs/dbraw/zinc/21/98/19/1079219819.db2.gz LFBPMAHFKDNKHX-OAHLLOKOSA-N 1 2 406.487 0.296 20 0 HCADLO Cc1cc(N2CCN(C(=O)COC(=O)CCc3nnc[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000763993365 1079276292 /nfs/dbraw/zinc/27/62/92/1079276292.db2.gz VKMIACCLGFERDB-UHFFFAOYSA-N 1 2 401.471 0.851 20 0 HCADLO C[C@H](OC(=O)CCc1nnc[nH]1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000764003902 1079285480 /nfs/dbraw/zinc/28/54/80/1079285480.db2.gz GCYLRDUYEHXHRP-HNNXBMFYSA-N 1 2 401.467 0.818 20 0 HCADLO C[C@@H](OC(=O)CCc1nnc[nH]1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000764003907 1079285381 /nfs/dbraw/zinc/28/53/81/1079285381.db2.gz GCYLRDUYEHXHRP-OAHLLOKOSA-N 1 2 401.467 0.818 20 0 HCADLO CC(C)(C)OC(=O)N[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000764099870 1079307436 /nfs/dbraw/zinc/30/74/36/1079307436.db2.gz CJPHRLNQXUJSDZ-DLBZAZTESA-N 1 2 424.542 0.587 20 0 HCADLO CC(C)(C)OC(=O)N[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000764099875 1079307373 /nfs/dbraw/zinc/30/73/73/1079307373.db2.gz CJPHRLNQXUJSDZ-IAGOWNOFSA-N 1 2 424.542 0.587 20 0 HCADLO CC(C)(C)OC(=O)N[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000764099880 1079307481 /nfs/dbraw/zinc/30/74/81/1079307481.db2.gz CJPHRLNQXUJSDZ-IRXDYDNUSA-N 1 2 424.542 0.587 20 0 HCADLO CC(C)(C)OC(=O)N[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000764099883 1079307566 /nfs/dbraw/zinc/30/75/66/1079307566.db2.gz CJPHRLNQXUJSDZ-SJORKVTESA-N 1 2 424.542 0.587 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000764174664 1079314086 /nfs/dbraw/zinc/31/40/86/1079314086.db2.gz OAIGZMUITXNEER-GFCCVEGCSA-N 1 2 401.448 0.999 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000764174667 1079314198 /nfs/dbraw/zinc/31/41/98/1079314198.db2.gz OAIGZMUITXNEER-LBPRGKRZSA-N 1 2 401.448 0.999 20 0 HCADLO Cc1c[nH+]c(N2CCN3C(=O)OCC[C@H]3C2)nc1N1CCN2C(=O)OCC[C@@H]2C1 ZINC000764179677 1079314720 /nfs/dbraw/zinc/31/47/20/1079314720.db2.gz MZWQKYLGMPCHPC-CABCVRRESA-N 1 2 402.455 0.847 20 0 HCADLO Cc1c[nH+]c(N2CCN3C(=O)OCC[C@H]3C2)nc1N1CCN2C(=O)OCC[C@H]2C1 ZINC000764179681 1079314607 /nfs/dbraw/zinc/31/46/07/1079314607.db2.gz MZWQKYLGMPCHPC-GJZGRUSLSA-N 1 2 402.455 0.847 20 0 HCADLO Cc1c[nH+]c(N2CCN3C(=O)OCC[C@@H]3C2)nc1N1CCN2C(=O)OCC[C@@H]2C1 ZINC000764179685 1079314674 /nfs/dbraw/zinc/31/46/74/1079314674.db2.gz MZWQKYLGMPCHPC-HUUCEWRRSA-N 1 2 402.455 0.847 20 0 HCADLO Cc1c[nH+]c(N2CCN3C(=O)OCC[C@@H]3C2)nc1N1CCN2C(=O)OCC[C@H]2C1 ZINC000764179689 1079314755 /nfs/dbraw/zinc/31/47/55/1079314755.db2.gz MZWQKYLGMPCHPC-LSDHHAIUSA-N 1 2 402.455 0.847 20 0 HCADLO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000764197794 1079317684 /nfs/dbraw/zinc/31/76/84/1079317684.db2.gz RCFXHRTVTFZZPO-UHFFFAOYSA-N 1 2 405.904 0.905 20 0 HCADLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000764201966 1079317813 /nfs/dbraw/zinc/31/78/13/1079317813.db2.gz DERCHHHGKNAJAL-INIZCTEOSA-N 1 2 410.540 0.284 20 0 HCADLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000764201966 1079317809 /nfs/dbraw/zinc/31/78/09/1079317809.db2.gz DERCHHHGKNAJAL-INIZCTEOSA-N 1 2 410.540 0.284 20 0 HCADLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000764201978 1079317795 /nfs/dbraw/zinc/31/77/95/1079317795.db2.gz DERCHHHGKNAJAL-MRXNPFEDSA-N 1 2 410.540 0.284 20 0 HCADLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000764201978 1079317791 /nfs/dbraw/zinc/31/77/91/1079317791.db2.gz DERCHHHGKNAJAL-MRXNPFEDSA-N 1 2 410.540 0.284 20 0 HCADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nn1-c1nc(C)cc(C)n1 ZINC000764210195 1079319888 /nfs/dbraw/zinc/31/98/88/1079319888.db2.gz KXFYWOZPZNGHQC-UHFFFAOYSA-N 1 2 420.539 0.826 20 0 HCADLO CO/C(=C/c1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000764224386 1079320219 /nfs/dbraw/zinc/32/02/19/1079320219.db2.gz UPNZKYWYBNCKLS-FBMGVBCBSA-N 1 2 408.524 0.310 20 0 HCADLO CO/C(=C\c1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000764224394 1079320363 /nfs/dbraw/zinc/32/03/63/1079320363.db2.gz UPNZKYWYBNCKLS-VLGSPTGOSA-N 1 2 408.524 0.310 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000764233947 1079321751 /nfs/dbraw/zinc/32/17/51/1079321751.db2.gz BULQVYIDDHPCPM-UHFFFAOYSA-N 1 2 415.537 0.647 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(F)(F)C1(O)CCC1 ZINC000764237225 1079321856 /nfs/dbraw/zinc/32/18/56/1079321856.db2.gz OHQMPDRAFOZCSR-AWEZNQCLSA-N 1 2 411.453 0.949 20 0 HCADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(F)(F)C1(O)CCC1 ZINC000764237225 1079321848 /nfs/dbraw/zinc/32/18/48/1079321848.db2.gz OHQMPDRAFOZCSR-AWEZNQCLSA-N 1 2 411.453 0.949 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(F)(F)C1(O)CCC1 ZINC000764237230 1079321656 /nfs/dbraw/zinc/32/16/56/1079321656.db2.gz OHQMPDRAFOZCSR-CQSZACIVSA-N 1 2 411.453 0.949 20 0 HCADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(F)(F)C1(O)CCC1 ZINC000764237230 1079321650 /nfs/dbraw/zinc/32/16/50/1079321650.db2.gz OHQMPDRAFOZCSR-CQSZACIVSA-N 1 2 411.453 0.949 20 0 HCADLO COCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000764273389 1079324120 /nfs/dbraw/zinc/32/41/20/1079324120.db2.gz JCZJNVBELCAELS-MSOLQXFVSA-N 1 2 418.494 0.970 20 0 HCADLO COCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000764273392 1079324006 /nfs/dbraw/zinc/32/40/06/1079324006.db2.gz JCZJNVBELCAELS-QZTJIDSGSA-N 1 2 418.494 0.970 20 0 HCADLO COCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000764273396 1079324016 /nfs/dbraw/zinc/32/40/16/1079324016.db2.gz JCZJNVBELCAELS-ROUUACIJSA-N 1 2 418.494 0.970 20 0 HCADLO COCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000764273399 1079324076 /nfs/dbraw/zinc/32/40/76/1079324076.db2.gz JCZJNVBELCAELS-ZWKOTPCHSA-N 1 2 418.494 0.970 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)cc2)CC1 ZINC000764293259 1079327004 /nfs/dbraw/zinc/32/70/04/1079327004.db2.gz ASMRMQZTCRPIJQ-GOSISDBHSA-N 1 2 415.494 0.426 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)cc2)CC1 ZINC000764293260 1079326894 /nfs/dbraw/zinc/32/68/94/1079326894.db2.gz ASMRMQZTCRPIJQ-SFHVURJKSA-N 1 2 415.494 0.426 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000764297098 1079328064 /nfs/dbraw/zinc/32/80/64/1079328064.db2.gz CUZOXCGZCXYZRV-PBHICJAKSA-N 1 2 402.451 0.681 20 0 HCADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000764297099 1079328191 /nfs/dbraw/zinc/32/81/91/1079328191.db2.gz CUZOXCGZCXYZRV-RHSMWYFYSA-N 1 2 402.451 0.681 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000764297100 1079328162 /nfs/dbraw/zinc/32/81/62/1079328162.db2.gz CUZOXCGZCXYZRV-WMLDXEAASA-N 1 2 402.451 0.681 20 0 HCADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000764297102 1079328111 /nfs/dbraw/zinc/32/81/11/1079328111.db2.gz CUZOXCGZCXYZRV-YOEHRIQHSA-N 1 2 402.451 0.681 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)c2)CC1 ZINC000764298722 1079331109 /nfs/dbraw/zinc/33/11/09/1079331109.db2.gz SXDQSISKCFBHLF-KRWDZBQOSA-N 1 2 401.467 0.036 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)c2)CC1 ZINC000764298725 1079331097 /nfs/dbraw/zinc/33/10/97/1079331097.db2.gz SXDQSISKCFBHLF-QGZVFWFLSA-N 1 2 401.467 0.036 20 0 HCADLO O=C(CCNC(=O)N1CCN2C(=O)OCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000764374116 1079335106 /nfs/dbraw/zinc/33/51/06/1079335106.db2.gz SFQFUYJPIRPBNG-INIZCTEOSA-N 1 2 416.482 0.356 20 0 HCADLO O=C(CCNC(=O)N1CCN2C(=O)OCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000764374120 1079335164 /nfs/dbraw/zinc/33/51/64/1079335164.db2.gz SFQFUYJPIRPBNG-MRXNPFEDSA-N 1 2 416.482 0.356 20 0 HCADLO COc1ccc([C@@H](CCO)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000764400901 1079338129 /nfs/dbraw/zinc/33/81/29/1079338129.db2.gz NALRJAGMWLTJLD-GOSISDBHSA-N 1 2 413.540 0.927 20 0 HCADLO COc1ccc([C@H](CCO)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000764400902 1079338144 /nfs/dbraw/zinc/33/81/44/1079338144.db2.gz NALRJAGMWLTJLD-SFHVURJKSA-N 1 2 413.540 0.927 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000764402683 1079338107 /nfs/dbraw/zinc/33/81/07/1079338107.db2.gz XMZXWUUTEPYDQW-UHFFFAOYSA-N 1 2 408.524 0.507 20 0 HCADLO COc1ccc([C@@H](CO)N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000764402747 1079338239 /nfs/dbraw/zinc/33/82/39/1079338239.db2.gz ZFLDTBVKSCADBZ-GOSISDBHSA-N 1 2 413.540 0.879 20 0 HCADLO COc1ccc([C@H](CO)N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000764402748 1079338211 /nfs/dbraw/zinc/33/82/11/1079338211.db2.gz ZFLDTBVKSCADBZ-SFHVURJKSA-N 1 2 413.540 0.879 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NOCC(F)(F)F ZINC000764415544 1079339710 /nfs/dbraw/zinc/33/97/10/1079339710.db2.gz FUEUIDHTGOOPFW-UHFFFAOYSA-N 1 2 411.406 0.327 20 0 HCADLO O=C(CN1CCN2C(=O)OCC[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000764426186 1079338692 /nfs/dbraw/zinc/33/86/92/1079338692.db2.gz VPWQJBDYQFUZGI-IBGZPJMESA-N 1 2 414.506 0.792 20 0 HCADLO O=C(CN1CCN2C(=O)OCC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000764426717 1079339163 /nfs/dbraw/zinc/33/91/63/1079339163.db2.gz VPWQJBDYQFUZGI-LJQANCHMSA-N 1 2 414.506 0.792 20 0 HCADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN4C(=O)OCC[C@@H]4C3)CC2)cc1 ZINC000764435021 1079340274 /nfs/dbraw/zinc/34/02/74/1079340274.db2.gz BKWMHLAWGYGONG-GOSISDBHSA-N 1 2 402.495 0.866 20 0 HCADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN4C(=O)OCC[C@H]4C3)CC2)cc1 ZINC000764435023 1079340428 /nfs/dbraw/zinc/34/04/28/1079340428.db2.gz BKWMHLAWGYGONG-SFHVURJKSA-N 1 2 402.495 0.866 20 0 HCADLO O=C(CN1CCN2C(=O)OCC[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000764448037 1079339778 /nfs/dbraw/zinc/33/97/78/1079339778.db2.gz VBRXPODEVRQVMM-IBGZPJMESA-N 1 2 402.495 0.662 20 0 HCADLO O=C(CN1CCN2C(=O)OCC[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000764448040 1079339767 /nfs/dbraw/zinc/33/97/67/1079339767.db2.gz VBRXPODEVRQVMM-LJQANCHMSA-N 1 2 402.495 0.662 20 0 HCADLO CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC(C)(C)S(C)(=O)=O ZINC000764449992 1079344300 /nfs/dbraw/zinc/34/43/00/1079344300.db2.gz AUDXHMMBLYRUCX-UHFFFAOYSA-N 1 2 411.568 0.890 20 0 HCADLO CC[C@@H](c1nnc(SCC(=O)N2CCCC2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000764450299 1079344607 /nfs/dbraw/zinc/34/46/07/1079344607.db2.gz GIGQXSQHMROBDK-HNNXBMFYSA-N 1 2 424.571 0.864 20 0 HCADLO CC[C@H](c1nnc(SCC(=O)N2CCCC2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000764450300 1079344615 /nfs/dbraw/zinc/34/46/15/1079344615.db2.gz GIGQXSQHMROBDK-OAHLLOKOSA-N 1 2 424.571 0.864 20 0 HCADLO O=S(=O)(CCNC(=S)NCc1ccon1)N1CCN(c2cccc[nH+]2)CC1 ZINC000764454456 1079345000 /nfs/dbraw/zinc/34/50/00/1079345000.db2.gz NJQUDWZOKDKHJQ-UHFFFAOYSA-N 1 2 410.525 0.186 20 0 HCADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000764468376 1079346692 /nfs/dbraw/zinc/34/66/92/1079346692.db2.gz HBGJUJNYXVHEGS-JTQLQIEISA-N 1 2 421.878 0.836 20 0 HCADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000764468377 1079346530 /nfs/dbraw/zinc/34/65/30/1079346530.db2.gz HBGJUJNYXVHEGS-SNVBAGLBSA-N 1 2 421.878 0.836 20 0 HCADLO S=C(NCc1ccon1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000764473822 1079346991 /nfs/dbraw/zinc/34/69/91/1079346991.db2.gz GQBUTMLKZZDYHG-HNNXBMFYSA-N 1 2 403.512 0.934 20 0 HCADLO S=C(NCc1ccon1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000764473822 1079346985 /nfs/dbraw/zinc/34/69/85/1079346985.db2.gz GQBUTMLKZZDYHG-HNNXBMFYSA-N 1 2 403.512 0.934 20 0 HCADLO S=C(NCc1ccon1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000764473825 1079347009 /nfs/dbraw/zinc/34/70/09/1079347009.db2.gz GQBUTMLKZZDYHG-OAHLLOKOSA-N 1 2 403.512 0.934 20 0 HCADLO S=C(NCc1ccon1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000764473825 1079347004 /nfs/dbraw/zinc/34/70/04/1079347004.db2.gz GQBUTMLKZZDYHG-OAHLLOKOSA-N 1 2 403.512 0.934 20 0 HCADLO COc1cccc(OCC[NH+]2CCN(C(=S)NCCN3CCOCC3)CC2)c1 ZINC000764501695 1079349143 /nfs/dbraw/zinc/34/91/43/1079349143.db2.gz FJYGXPVRKPJXGD-UHFFFAOYSA-N 1 2 408.568 0.898 20 0 HCADLO COc1cccc(OCC[NH+]2CCN(C(=S)NCCNS(C)(=O)=O)CC2)c1 ZINC000764502863 1079349102 /nfs/dbraw/zinc/34/91/02/1079349102.db2.gz IWUDQQZUNGNQPF-UHFFFAOYSA-N 1 2 416.569 0.115 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000764539604 1079351680 /nfs/dbraw/zinc/35/16/80/1079351680.db2.gz MPOALKJXQWMLAT-CVEARBPZSA-N 1 2 400.520 0.624 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000764539611 1079351764 /nfs/dbraw/zinc/35/17/64/1079351764.db2.gz MPOALKJXQWMLAT-HOTGVXAUSA-N 1 2 400.520 0.624 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000764539616 1079351771 /nfs/dbraw/zinc/35/17/71/1079351771.db2.gz MPOALKJXQWMLAT-HZPDHXFCSA-N 1 2 400.520 0.624 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000764539695 1079351343 /nfs/dbraw/zinc/35/13/43/1079351343.db2.gz MPOALKJXQWMLAT-JKSUJKDBSA-N 1 2 400.520 0.624 20 0 HCADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000764566577 1079353898 /nfs/dbraw/zinc/35/38/98/1079353898.db2.gz QVUDKNAUGBBRBR-BRWVUGGUSA-N 1 2 414.547 0.966 20 0 HCADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000764566578 1079354013 /nfs/dbraw/zinc/35/40/13/1079354013.db2.gz QVUDKNAUGBBRBR-IKGGRYGDSA-N 1 2 414.547 0.966 20 0 HCADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000764566579 1079353935 /nfs/dbraw/zinc/35/39/35/1079353935.db2.gz QVUDKNAUGBBRBR-IXDOHACOSA-N 1 2 414.547 0.966 20 0 HCADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000764566580 1079353879 /nfs/dbraw/zinc/35/38/79/1079353879.db2.gz QVUDKNAUGBBRBR-ZACQAIPSSA-N 1 2 414.547 0.966 20 0 HCADLO CN(CC(=O)NCc1ccco1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000764587471 1079356232 /nfs/dbraw/zinc/35/62/32/1079356232.db2.gz WWTWVAFUMNIKSK-UHFFFAOYSA-N 1 2 413.478 0.878 20 0 HCADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCc1nnc2ccccn21 ZINC000764605119 1079357079 /nfs/dbraw/zinc/35/70/79/1079357079.db2.gz DJTRIHRXRBMOKD-UHFFFAOYSA-N 1 2 407.478 0.912 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000764663936 1079361355 /nfs/dbraw/zinc/36/13/55/1079361355.db2.gz LDELPKFZMWHNOL-CYBMUJFWSA-N 1 2 413.500 0.010 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000764663936 1079361347 /nfs/dbraw/zinc/36/13/47/1079361347.db2.gz LDELPKFZMWHNOL-CYBMUJFWSA-N 1 2 413.500 0.010 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000764663937 1079361454 /nfs/dbraw/zinc/36/14/54/1079361454.db2.gz LDELPKFZMWHNOL-ZDUSSCGKSA-N 1 2 413.500 0.010 20 0 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CCN(CC)S(=O)(=O)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000764764402 1079371121 /nfs/dbraw/zinc/37/11/21/1079371121.db2.gz PMFDAAKXIMNHBY-UHFFFAOYSA-N 1 2 400.574 0.738 20 0 HCADLO CCN(CC)S(=O)(=O)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000764764402 1079371115 /nfs/dbraw/zinc/37/11/15/1079371115.db2.gz PMFDAAKXIMNHBY-UHFFFAOYSA-N 1 2 400.574 0.738 20 0 HCADLO CCN(CC)S(=O)(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000764765894 1079369747 /nfs/dbraw/zinc/36/97/47/1079369747.db2.gz WKZAHXXFWBOXJR-INIZCTEOSA-N 1 2 412.560 0.536 20 0 HCADLO CCN(CC)S(=O)(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000764765894 1079369742 /nfs/dbraw/zinc/36/97/42/1079369742.db2.gz WKZAHXXFWBOXJR-INIZCTEOSA-N 1 2 412.560 0.536 20 0 HCADLO CCN(CC)S(=O)(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000764765898 1079369692 /nfs/dbraw/zinc/36/96/92/1079369692.db2.gz WKZAHXXFWBOXJR-MRXNPFEDSA-N 1 2 412.560 0.536 20 0 HCADLO CCN(CC)S(=O)(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000764765898 1079369689 /nfs/dbraw/zinc/36/96/89/1079369689.db2.gz WKZAHXXFWBOXJR-MRXNPFEDSA-N 1 2 412.560 0.536 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCOCC(F)(F)C(F)F)CC1 ZINC000764777604 1079372950 /nfs/dbraw/zinc/37/29/50/1079372950.db2.gz AUWODXTZUVROBS-UHFFFAOYSA-N 1 2 407.430 0.712 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000764782468 1079373481 /nfs/dbraw/zinc/37/34/81/1079373481.db2.gz ZRKNZTGGQCFNTE-GXTWGEPZSA-N 1 2 415.478 0.840 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000764782469 1079373572 /nfs/dbraw/zinc/37/35/72/1079373572.db2.gz ZRKNZTGGQCFNTE-JSGCOSHPSA-N 1 2 415.478 0.840 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000764782471 1079373450 /nfs/dbraw/zinc/37/34/50/1079373450.db2.gz ZRKNZTGGQCFNTE-OCCSQVGLSA-N 1 2 415.478 0.840 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000764782473 1079373521 /nfs/dbraw/zinc/37/35/21/1079373521.db2.gz 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/nfs/dbraw/zinc/38/39/73/1079383973.db2.gz BUJVSSHQWKQLAL-VBQJREDUSA-N 1 2 409.870 0.939 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2C[C@H](O)C[C@H]2CO)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000764979009 1079383966 /nfs/dbraw/zinc/38/39/66/1079383966.db2.gz BUJVSSHQWKQLAL-VBQJREDUSA-N 1 2 409.870 0.939 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2C[C@H](O)C[C@H]2CO)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000764982554 1079385318 /nfs/dbraw/zinc/38/53/18/1079385318.db2.gz WRHAEQPRRNEPBM-IYOUNJFTSA-N 1 2 405.451 0.294 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2C[C@H](O)C[C@H]2CO)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000764982554 1079385312 /nfs/dbraw/zinc/38/53/12/1079385312.db2.gz WRHAEQPRRNEPBM-IYOUNJFTSA-N 1 2 405.451 0.294 20 0 HCADLO CCOC(=O)C1C(C[N@H+]2C[C@H](O)C[C@H]2CO)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000764982554 1079385306 /nfs/dbraw/zinc/38/53/06/1079385306.db2.gz WRHAEQPRRNEPBM-IYOUNJFTSA-N 1 2 405.451 0.294 20 0 HCADLO CCOC(=O)C1C(C[N@@H+]2C[C@H](O)C[C@H]2CO)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000764982554 1079385299 /nfs/dbraw/zinc/38/52/99/1079385299.db2.gz WRHAEQPRRNEPBM-IYOUNJFTSA-N 1 2 405.451 0.294 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2C[C@H](O)C[C@H]2CO)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000764982560 1079385199 /nfs/dbraw/zinc/38/51/99/1079385199.db2.gz WRHAEQPRRNEPBM-PMUMKWKESA-N 1 2 405.451 0.294 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2C[C@H](O)C[C@H]2CO)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000764982560 1079385190 /nfs/dbraw/zinc/38/51/90/1079385190.db2.gz WRHAEQPRRNEPBM-PMUMKWKESA-N 1 2 405.451 0.294 20 0 HCADLO CCOC(=O)C1C(C[N@H+]2C[C@H](O)C[C@H]2CO)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000764982560 1079385184 /nfs/dbraw/zinc/38/51/84/1079385184.db2.gz WRHAEQPRRNEPBM-PMUMKWKESA-N 1 2 405.451 0.294 20 0 HCADLO CCOC(=O)C1C(C[N@@H+]2C[C@H](O)C[C@H]2CO)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000764982560 1079385177 /nfs/dbraw/zinc/38/51/77/1079385177.db2.gz WRHAEQPRRNEPBM-PMUMKWKESA-N 1 2 405.451 0.294 20 0 HCADLO Cn1c2ccncc2n(CN2CC[NH+](CCNC(=O)c3ccccc3F)CC2)c1=O ZINC000764992456 1079384933 /nfs/dbraw/zinc/38/49/33/1079384933.db2.gz XSLBLWYUNCGCBF-UHFFFAOYSA-N 1 2 412.469 0.879 20 0 HCADLO Cn1c2ccncc2n(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1=O ZINC000765016749 1079386713 /nfs/dbraw/zinc/38/67/13/1079386713.db2.gz ZCKBAIOYEKHILQ-UHFFFAOYSA-N 1 2 410.482 0.141 20 0 HCADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(=O)n(C)c1=O ZINC000765031201 1079386288 /nfs/dbraw/zinc/38/62/88/1079386288.db2.gz WRBGQZPLONZCEQ-FQEVSTJZSA-N 1 2 421.498 0.182 20 0 HCADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(=O)n(C)c1=O ZINC000765031201 1079386282 /nfs/dbraw/zinc/38/62/82/1079386282.db2.gz WRBGQZPLONZCEQ-FQEVSTJZSA-N 1 2 421.498 0.182 20 0 HCADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(=O)n(C)c1=O ZINC000765031205 1079386260 /nfs/dbraw/zinc/38/62/60/1079386260.db2.gz WRBGQZPLONZCEQ-HXUWFJFHSA-N 1 2 421.498 0.182 20 0 HCADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(=O)n(C)c1=O ZINC000765031205 1079386253 /nfs/dbraw/zinc/38/62/53/1079386253.db2.gz WRBGQZPLONZCEQ-HXUWFJFHSA-N 1 2 421.498 0.182 20 0 HCADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(-c2cnccn2)n(C)c1=S ZINC000765034388 1079386304 /nfs/dbraw/zinc/38/63/04/1079386304.db2.gz AKVFMAOJPJGLGM-UHFFFAOYSA-N 1 2 407.500 0.173 20 0 HCADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(-c2ccccn2)n(C)c1=S ZINC000765035995 1079386231 /nfs/dbraw/zinc/38/62/31/1079386231.db2.gz JNXIUDLMCLYCNN-UHFFFAOYSA-N 1 2 406.512 0.778 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000765036018 1079386330 /nfs/dbraw/zinc/38/63/30/1079386330.db2.gz SWABHQJITWFCTK-BEFAXECRSA-N 1 2 415.556 0.946 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000765036021 1079386387 /nfs/dbraw/zinc/38/63/87/1079386387.db2.gz SWABHQJITWFCTK-DNVCBOLYSA-N 1 2 415.556 0.946 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000765036024 1079386763 /nfs/dbraw/zinc/38/67/63/1079386763.db2.gz SWABHQJITWFCTK-HNAYVOBHSA-N 1 2 415.556 0.946 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000765036028 1079386634 /nfs/dbraw/zinc/38/66/34/1079386634.db2.gz SWABHQJITWFCTK-KXBFYZLASA-N 1 2 415.556 0.946 20 0 HCADLO CCn1c(-c2cnccn2)nn(CN(CC[NH+]2CCOCC2)CC(=O)OC)c1=S ZINC000765038799 1079386582 /nfs/dbraw/zinc/38/65/82/1079386582.db2.gz XXOMNNCDNWCTKX-UHFFFAOYSA-N 1 2 421.527 0.656 20 0 HCADLO CNC(=O)CCOC1CC[NH+](CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)CC1 ZINC000765060818 1079388193 /nfs/dbraw/zinc/38/81/93/1079388193.db2.gz TZHVRNCUGYDNOM-FQEVSTJZSA-N 1 2 410.515 0.829 20 0 HCADLO CNC(=O)CCOC1CC[NH+](CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)CC1 ZINC000765060823 1079388237 /nfs/dbraw/zinc/38/82/37/1079388237.db2.gz TZHVRNCUGYDNOM-HXUWFJFHSA-N 1 2 410.515 0.829 20 0 HCADLO COc1cccc([C@H](O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000765061052 1079388309 /nfs/dbraw/zinc/38/83/09/1079388309.db2.gz DRRPQODMXGCABU-FQEVSTJZSA-N 1 2 413.478 0.704 20 0 HCADLO COc1cccc([C@H](O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000765061052 1079388304 /nfs/dbraw/zinc/38/83/04/1079388304.db2.gz DRRPQODMXGCABU-FQEVSTJZSA-N 1 2 413.478 0.704 20 0 HCADLO COc1cccc([C@@H](O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000765061057 1079388257 /nfs/dbraw/zinc/38/82/57/1079388257.db2.gz DRRPQODMXGCABU-HXUWFJFHSA-N 1 2 413.478 0.704 20 0 HCADLO COc1cccc([C@@H](O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000765061057 1079388251 /nfs/dbraw/zinc/38/82/51/1079388251.db2.gz DRRPQODMXGCABU-HXUWFJFHSA-N 1 2 413.478 0.704 20 0 HCADLO COC(=O)N1CCC(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000765090051 1079388901 /nfs/dbraw/zinc/38/89/01/1079388901.db2.gz OBOCDEDDIZLMBD-UHFFFAOYSA-N 1 2 403.483 0.857 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000765091539 1079388959 /nfs/dbraw/zinc/38/89/59/1079388959.db2.gz BRBFGQMYZHZSHB-GFCCVEGCSA-N 1 2 412.965 0.593 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000765091540 1079388814 /nfs/dbraw/zinc/38/88/14/1079388814.db2.gz BRBFGQMYZHZSHB-LBPRGKRZSA-N 1 2 412.965 0.593 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2nonc21 ZINC000765093154 1079389058 /nfs/dbraw/zinc/38/90/58/1079389058.db2.gz OAWHPPLUGVTOLV-CYBMUJFWSA-N 1 2 416.525 0.742 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2nonc21 ZINC000765093157 1079388996 /nfs/dbraw/zinc/38/89/96/1079388996.db2.gz OAWHPPLUGVTOLV-ZDUSSCGKSA-N 1 2 416.525 0.742 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(Cl)n1C ZINC000765093882 1079389358 /nfs/dbraw/zinc/38/93/58/1079389358.db2.gz RDABCXTXSXZDPV-GFCCVEGCSA-N 1 2 412.965 0.593 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(Cl)n1C ZINC000765093884 1079389214 /nfs/dbraw/zinc/38/92/14/1079389214.db2.gz RDABCXTXSXZDPV-LBPRGKRZSA-N 1 2 412.965 0.593 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C1CCOCC1 ZINC000765095040 1079389379 /nfs/dbraw/zinc/38/93/79/1079389379.db2.gz XPTUVSCWSMPJGW-INIZCTEOSA-N 1 2 411.590 0.173 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C1CCOCC1 ZINC000765095058 1079389195 /nfs/dbraw/zinc/38/91/95/1079389195.db2.gz XPTUVSCWSMPJGW-MRXNPFEDSA-N 1 2 411.590 0.173 20 0 HCADLO CN(CCCC(=O)NCC1([NH+]2CCOCC2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000765116242 1079389926 /nfs/dbraw/zinc/38/99/26/1079389926.db2.gz OHXMSNKXEZKWGL-UHFFFAOYSA-N 1 2 420.535 0.829 20 0 HCADLO O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc2nonc21 ZINC000765168357 1079395364 /nfs/dbraw/zinc/39/53/64/1079395364.db2.gz ZCFTZLKZEKSULD-UHFFFAOYSA-N 1 2 403.468 0.503 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000765168596 1079395337 /nfs/dbraw/zinc/39/53/37/1079395337.db2.gz XHTZKNGYTCBGLY-UHFFFAOYSA-N 1 2 400.424 0.410 20 0 HCADLO O=C(CCNS(=O)(=O)c1cccc2nonc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000765175856 1079396269 /nfs/dbraw/zinc/39/62/69/1079396269.db2.gz YZASLZBJGDKSCE-UHFFFAOYSA-N 1 2 416.463 0.635 20 0 HCADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000765247541 1079405014 /nfs/dbraw/zinc/40/50/14/1079405014.db2.gz UIECSBKTVLUMHZ-HNNXBMFYSA-N 1 2 416.569 0.798 20 0 HCADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000765247545 1079404848 /nfs/dbraw/zinc/40/48/48/1079404848.db2.gz UIECSBKTVLUMHZ-OAHLLOKOSA-N 1 2 416.569 0.798 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)C=Cc1ccccc1 ZINC000765251493 1079405905 /nfs/dbraw/zinc/40/59/05/1079405905.db2.gz IOELFNHNKFSGEC-DZZUKKPASA-N 1 2 406.464 0.590 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)C=Cc1ccccc1 ZINC000765251493 1079405892 /nfs/dbraw/zinc/40/58/92/1079405892.db2.gz IOELFNHNKFSGEC-DZZUKKPASA-N 1 2 406.464 0.590 20 0 HCADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)C=Cc1ccccc1 ZINC000765251500 1079405833 /nfs/dbraw/zinc/40/58/33/1079405833.db2.gz IOELFNHNKFSGEC-YHWKNFMLSA-N 1 2 406.464 0.590 20 0 HCADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)C=Cc1ccccc1 ZINC000765251500 1079405807 /nfs/dbraw/zinc/40/58/07/1079405807.db2.gz IOELFNHNKFSGEC-YHWKNFMLSA-N 1 2 406.464 0.590 20 0 HCADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)n(C)c1 ZINC000765251605 1079405567 /nfs/dbraw/zinc/40/55/67/1079405567.db2.gz IZIZUOWHPOHWFJ-AWEZNQCLSA-N 1 2 411.484 0.293 20 0 HCADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)n(C)c1 ZINC000765251605 1079405564 /nfs/dbraw/zinc/40/55/64/1079405564.db2.gz IZIZUOWHPOHWFJ-AWEZNQCLSA-N 1 2 411.484 0.293 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000765267295 1079412016 /nfs/dbraw/zinc/41/20/16/1079412016.db2.gz SZZNAFZKDQHPPC-UHFFFAOYSA-N 1 2 408.524 0.554 20 0 HCADLO O=C(CCC(=O)N1CCN2C(=O)OCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000765271503 1079409806 /nfs/dbraw/zinc/40/98/06/1079409806.db2.gz LCDCNLFZEDGJBU-INIZCTEOSA-N 1 2 401.467 0.564 20 0 HCADLO O=C(CCC(=O)N1CCN2C(=O)OCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000765271509 1079409793 /nfs/dbraw/zinc/40/97/93/1079409793.db2.gz LCDCNLFZEDGJBU-MRXNPFEDSA-N 1 2 401.467 0.564 20 0 HCADLO CN(CC(C)(C)S(C)(=O)=O)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000765282285 1079412642 /nfs/dbraw/zinc/41/26/42/1079412642.db2.gz ZZRKQYRYCPKAKR-UHFFFAOYSA-N 1 2 410.540 0.792 20 0 HCADLO C[C@H](CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000765340154 1079419595 /nfs/dbraw/zinc/41/95/95/1079419595.db2.gz SIVNEYRSXDGMGS-CVEARBPZSA-N 1 2 412.531 0.729 20 0 HCADLO C[C@@H](CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000765340159 1079419567 /nfs/dbraw/zinc/41/95/67/1079419567.db2.gz SIVNEYRSXDGMGS-HOTGVXAUSA-N 1 2 412.531 0.729 20 0 HCADLO C[C@H](CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000765340162 1079419699 /nfs/dbraw/zinc/41/96/99/1079419699.db2.gz SIVNEYRSXDGMGS-HZPDHXFCSA-N 1 2 412.531 0.729 20 0 HCADLO C[C@@H](CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000765340164 1079419921 /nfs/dbraw/zinc/41/99/21/1079419921.db2.gz SIVNEYRSXDGMGS-JKSUJKDBSA-N 1 2 412.531 0.729 20 0 HCADLO COC(=O)N1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000765382736 1079424825 /nfs/dbraw/zinc/42/48/25/1079424825.db2.gz USWWDHGRSNKEBL-INIZCTEOSA-N 1 2 403.483 0.857 20 0 HCADLO COC(=O)N1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000765382737 1079425142 /nfs/dbraw/zinc/42/51/42/1079425142.db2.gz USWWDHGRSNKEBL-MRXNPFEDSA-N 1 2 403.483 0.857 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000765406434 1079430916 /nfs/dbraw/zinc/43/09/16/1079430916.db2.gz PKWKYLWDVVHLKN-INIZCTEOSA-N 1 2 409.487 0.790 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000765406435 1079431169 /nfs/dbraw/zinc/43/11/69/1079431169.db2.gz PKWKYLWDVVHLKN-MRXNPFEDSA-N 1 2 409.487 0.790 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[C@@H]3COC(=O)C3)cc2)CC1 ZINC000765406809 1079431015 /nfs/dbraw/zinc/43/10/15/1079431015.db2.gz XSHVEGJFBQIHIO-IBGZPJMESA-N 1 2 417.506 0.841 20 0 HCADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[C@H]3COC(=O)C3)cc2)CC1 ZINC000765406810 1079431083 /nfs/dbraw/zinc/43/10/83/1079431083.db2.gz XSHVEGJFBQIHIO-LJQANCHMSA-N 1 2 417.506 0.841 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000765416469 1079432233 /nfs/dbraw/zinc/43/22/33/1079432233.db2.gz IPNNCOLPCWEDPB-UHFFFAOYSA-N 1 2 401.511 0.135 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000765416469 1079432218 /nfs/dbraw/zinc/43/22/18/1079432218.db2.gz IPNNCOLPCWEDPB-UHFFFAOYSA-N 1 2 401.511 0.135 20 0 HCADLO CCN1C(=S)N=NC1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000765420723 1079433895 /nfs/dbraw/zinc/43/38/95/1079433895.db2.gz NNEBFRRRGCZOPD-UHFFFAOYSA-N 1 2 403.512 0.727 20 0 HCADLO CN1C(=S)N=NC1CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000765428725 1079437183 /nfs/dbraw/zinc/43/71/83/1079437183.db2.gz URIBHHZIAJJPTJ-UHFFFAOYSA-N 1 2 403.512 0.287 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000765463161 1079440559 /nfs/dbraw/zinc/44/05/59/1079440559.db2.gz HWTPPLBEGNHRTN-HNNXBMFYSA-N 1 2 409.487 0.790 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000765463163 1079440497 /nfs/dbraw/zinc/44/04/97/1079440497.db2.gz HWTPPLBEGNHRTN-OAHLLOKOSA-N 1 2 409.487 0.790 20 0 HCADLO CCN1C(=S)N=NC1CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000765467028 1079442798 /nfs/dbraw/zinc/44/27/98/1079442798.db2.gz BXJHDYKFZXXQLG-UHFFFAOYSA-N 1 2 417.539 0.769 20 0 HCADLO O=C(C[NH+]1CCC(NC(=O)C2=NN(CCO)C(=O)CC2)CC1)Nc1ccccc1 ZINC000765470192 1079441712 /nfs/dbraw/zinc/44/17/12/1079441712.db2.gz UMVKSXRTQNPLOA-UHFFFAOYSA-N 1 2 401.467 0.176 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000765474907 1079443289 /nfs/dbraw/zinc/44/32/89/1079443289.db2.gz ROTNVXWQPRVHKZ-HNNXBMFYSA-N 1 2 419.544 0.248 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000765474909 1079443309 /nfs/dbraw/zinc/44/33/09/1079443309.db2.gz ROTNVXWQPRVHKZ-OAHLLOKOSA-N 1 2 419.544 0.248 20 0 HCADLO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NCCS(=O)(=O)N1CCOCC1 ZINC000765480158 1079443254 /nfs/dbraw/zinc/44/32/54/1079443254.db2.gz FVXKYQDLGWPJGC-UHFFFAOYSA-N 1 2 423.491 0.916 20 0 HCADLO CC[NH+](CC)Cc1nc(C2(NC(=O)C3=NN(CCO)C(=O)CC3)CCCC2)no1 ZINC000765482175 1079446319 /nfs/dbraw/zinc/44/63/19/1079446319.db2.gz CEGUVSALTRPXHP-UHFFFAOYSA-N 1 2 406.487 0.768 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000765485428 1079445206 /nfs/dbraw/zinc/44/52/06/1079445206.db2.gz SAYMDVGEOATUHB-KRWDZBQOSA-N 1 2 402.495 0.707 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000765485430 1079445300 /nfs/dbraw/zinc/44/53/00/1079445300.db2.gz SAYMDVGEOATUHB-QGZVFWFLSA-N 1 2 402.495 0.707 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=S)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000765517088 1079456143 /nfs/dbraw/zinc/45/61/43/1079456143.db2.gz IDLDTSATYCXMHU-CABCVRRESA-N 1 2 420.988 0.725 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=S)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000765517088 1079456141 /nfs/dbraw/zinc/45/61/41/1079456141.db2.gz IDLDTSATYCXMHU-CABCVRRESA-N 1 2 420.988 0.725 20 0 HCADLO C[N@H+]1CCO[C@H]([C@@H](NC(=S)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000765517095 1079456201 /nfs/dbraw/zinc/45/62/01/1079456201.db2.gz IDLDTSATYCXMHU-GJZGRUSLSA-N 1 2 420.988 0.725 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=S)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000765517095 1079456193 /nfs/dbraw/zinc/45/61/93/1079456193.db2.gz IDLDTSATYCXMHU-GJZGRUSLSA-N 1 2 420.988 0.725 20 0 HCADLO C[N@H+]1CCO[C@@H]([C@H](NC(=S)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000765517101 1079456230 /nfs/dbraw/zinc/45/62/30/1079456230.db2.gz IDLDTSATYCXMHU-HUUCEWRRSA-N 1 2 420.988 0.725 20 0 HCADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=S)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000765517101 1079456221 /nfs/dbraw/zinc/45/62/21/1079456221.db2.gz IDLDTSATYCXMHU-HUUCEWRRSA-N 1 2 420.988 0.725 20 0 HCADLO C[N@H+]1CCO[C@H]([C@H](NC(=S)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000765517105 1079456165 /nfs/dbraw/zinc/45/61/65/1079456165.db2.gz IDLDTSATYCXMHU-LSDHHAIUSA-N 1 2 420.988 0.725 20 0 HCADLO C[N@@H+]1CCO[C@H]([C@H](NC(=S)NCCNS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000765517105 1079456161 /nfs/dbraw/zinc/45/61/61/1079456161.db2.gz IDLDTSATYCXMHU-LSDHHAIUSA-N 1 2 420.988 0.725 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000765523904 1079460119 /nfs/dbraw/zinc/46/01/19/1079460119.db2.gz CLKIANLVBXLGEA-KRWDZBQOSA-N 1 2 424.542 0.779 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000765523904 1079460112 /nfs/dbraw/zinc/46/01/12/1079460112.db2.gz CLKIANLVBXLGEA-KRWDZBQOSA-N 1 2 424.542 0.779 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000765523923 1079460305 /nfs/dbraw/zinc/46/03/05/1079460305.db2.gz CLKIANLVBXLGEA-QGZVFWFLSA-N 1 2 424.542 0.779 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000765523923 1079460300 /nfs/dbraw/zinc/46/03/00/1079460300.db2.gz CLKIANLVBXLGEA-QGZVFWFLSA-N 1 2 424.542 0.779 20 0 HCADLO CC(C)(C)S(=O)(=O)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000765532547 1079467397 /nfs/dbraw/zinc/46/73/97/1079467397.db2.gz BGBSDKBRLKVKFK-UHFFFAOYSA-N 1 2 410.540 0.840 20 0 HCADLO C[N@H+]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000765581777 1079497874 /nfs/dbraw/zinc/49/78/74/1079497874.db2.gz MRQXZPWLVGZQPK-INIZCTEOSA-N 1 2 420.510 0.718 20 0 HCADLO C[N@@H+]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000765581777 1079497861 /nfs/dbraw/zinc/49/78/61/1079497861.db2.gz MRQXZPWLVGZQPK-INIZCTEOSA-N 1 2 420.510 0.718 20 0 HCADLO C[N@H+]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000765581780 1079497962 /nfs/dbraw/zinc/49/79/62/1079497962.db2.gz MRQXZPWLVGZQPK-MRXNPFEDSA-N 1 2 420.510 0.718 20 0 HCADLO C[N@@H+]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000765581780 1079497952 /nfs/dbraw/zinc/49/79/52/1079497952.db2.gz MRQXZPWLVGZQPK-MRXNPFEDSA-N 1 2 420.510 0.718 20 0 HCADLO O=C1OC[C@@H]2CN(c3nc(N4CCN5C(=O)OC[C@@H]5C4)c(C4CC4)c[nH+]3)CCN12 ZINC000765621713 1079528500 /nfs/dbraw/zinc/52/85/00/1079528500.db2.gz PRPYBGONGUNODT-KBPBESRZSA-N 1 2 400.439 0.636 20 0 HCADLO O=C1OC[C@H]2CN(c3nc(N4CCN5C(=O)OC[C@@H]5C4)[nH+]cc3C3CC3)CCN12 ZINC000765621716 1079528221 /nfs/dbraw/zinc/52/82/21/1079528221.db2.gz PRPYBGONGUNODT-KGLIPLIRSA-N 1 2 400.439 0.636 20 0 HCADLO O=C1OC[C@H]2CN(c3nc(N4CCN5C(=O)OC[C@@H]5C4)c(C4CC4)c[nH+]3)CCN12 ZINC000765621718 1079528244 /nfs/dbraw/zinc/52/82/44/1079528244.db2.gz PRPYBGONGUNODT-UONOGXRCSA-N 1 2 400.439 0.636 20 0 HCADLO O=C1OC[C@H]2CN(c3nc(N4CCN5C(=O)OC[C@H]5C4)c(C4CC4)c[nH+]3)CCN12 ZINC000765621720 1079528257 /nfs/dbraw/zinc/52/82/57/1079528257.db2.gz PRPYBGONGUNODT-ZIAGYGMSSA-N 1 2 400.439 0.636 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000765623965 1079528374 /nfs/dbraw/zinc/52/83/74/1079528374.db2.gz FPBZHFPMRWCLQH-INIZCTEOSA-N 1 2 408.503 0.448 20 0 HCADLO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000765623967 1079528310 /nfs/dbraw/zinc/52/83/10/1079528310.db2.gz FPBZHFPMRWCLQH-MRXNPFEDSA-N 1 2 408.503 0.448 20 0 HCADLO CCOC(=O)[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000765639755 1079533540 /nfs/dbraw/zinc/53/35/40/1079533540.db2.gz GHVDPPFKHAVVKZ-INIZCTEOSA-N 1 2 404.467 0.301 20 0 HCADLO CCOC(=O)[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000765639772 1079533288 /nfs/dbraw/zinc/53/32/88/1079533288.db2.gz GHVDPPFKHAVVKZ-MRXNPFEDSA-N 1 2 404.467 0.301 20 0 HCADLO C[N@H+]1CCN(C(=O)NCC2(N3CCOCC3)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000765642794 1079535414 /nfs/dbraw/zinc/53/54/14/1079535414.db2.gz VNHUFJJCAXIFGT-INIZCTEOSA-N 1 2 411.547 0.702 20 0 HCADLO C[N@@H+]1CCN(C(=O)NCC2(N3CCOCC3)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000765642794 1079535403 /nfs/dbraw/zinc/53/54/03/1079535403.db2.gz VNHUFJJCAXIFGT-INIZCTEOSA-N 1 2 411.547 0.702 20 0 HCADLO C[N@H+]1CCN(C(=O)NCC2(N3CCOCC3)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000765642795 1079535600 /nfs/dbraw/zinc/53/56/00/1079535600.db2.gz VNHUFJJCAXIFGT-MRXNPFEDSA-N 1 2 411.547 0.702 20 0 HCADLO C[N@@H+]1CCN(C(=O)NCC2(N3CCOCC3)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000765642795 1079535589 /nfs/dbraw/zinc/53/55/89/1079535589.db2.gz VNHUFJJCAXIFGT-MRXNPFEDSA-N 1 2 411.547 0.702 20 0 HCADLO C[S@@](=O)CCN1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000765643749 1079536457 /nfs/dbraw/zinc/53/64/57/1079536457.db2.gz VGZMKHUFENMLJF-GDLZYMKVSA-N 1 2 421.567 0.033 20 0 HCADLO C[S@](=O)CCN1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000765643750 1079536435 /nfs/dbraw/zinc/53/64/35/1079536435.db2.gz VGZMKHUFENMLJF-LJAQVGFWSA-N 1 2 421.567 0.033 20 0 HCADLO CC1N=NC(=S)N1CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000765644166 1079536362 /nfs/dbraw/zinc/53/63/62/1079536362.db2.gz QQQPSXVOODNMHG-UHFFFAOYSA-N 1 2 403.512 0.515 20 0 HCADLO CCC1N=NC(=S)N1CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000765660908 1079545867 /nfs/dbraw/zinc/54/58/67/1079545867.db2.gz XFZOZMVOCMWSHS-UHFFFAOYSA-N 1 2 417.539 0.769 20 0 HCADLO CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000765688842 1079550273 /nfs/dbraw/zinc/55/02/73/1079550273.db2.gz GVECLZWPACWVGH-WMLDXEAASA-N 1 2 420.601 0.635 20 0 HCADLO CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000765688843 1079551075 /nfs/dbraw/zinc/55/10/75/1079551075.db2.gz GVECLZWPACWVGH-YOEHRIQHSA-N 1 2 420.601 0.635 20 0 HCADLO O=C1C[C@H](c2cccnc2)CN1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000765693496 1079550212 /nfs/dbraw/zinc/55/02/12/1079550212.db2.gz LTKHIXCJNSXEDB-IBGZPJMESA-N 1 2 423.521 0.804 20 0 HCADLO O=C1C[C@@H](c2cccnc2)CN1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000765693502 1079550169 /nfs/dbraw/zinc/55/01/69/1079550169.db2.gz LTKHIXCJNSXEDB-LJQANCHMSA-N 1 2 423.521 0.804 20 0 HCADLO CC[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCN1CC(F)F ZINC000765698047 1079555523 /nfs/dbraw/zinc/55/55/23/1079555523.db2.gz RBARKKIUWYFPIR-HNNXBMFYSA-N 1 2 410.531 0.866 20 0 HCADLO CC[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCN1CC(F)F ZINC000765698051 1079555611 /nfs/dbraw/zinc/55/56/11/1079555611.db2.gz RBARKKIUWYFPIR-OAHLLOKOSA-N 1 2 410.531 0.866 20 0 HCADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765698722 1079552525 /nfs/dbraw/zinc/55/25/25/1079552525.db2.gz QKJNBEWTWDWWOM-INIZCTEOSA-N 1 2 424.542 0.873 20 0 HCADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765698725 1079552679 /nfs/dbraw/zinc/55/26/79/1079552679.db2.gz QKJNBEWTWDWWOM-MRXNPFEDSA-N 1 2 424.542 0.873 20 0 HCADLO COC(=O)c1cc(C(=O)OC)n(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000765712923 1079559435 /nfs/dbraw/zinc/55/94/35/1079559435.db2.gz WWJLHNRMMNIENN-AWEZNQCLSA-N 1 2 407.471 0.042 20 0 HCADLO COC(=O)c1cc(C(=O)OC)n(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000765712924 1079559534 /nfs/dbraw/zinc/55/95/34/1079559534.db2.gz WWJLHNRMMNIENN-CQSZACIVSA-N 1 2 407.471 0.042 20 0 HCADLO C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000765765344 1079843121 /nfs/dbraw/zinc/84/31/21/1079843121.db2.gz PISSSOKHVJBZTQ-FOIQADDNSA-N 1 2 409.914 0.844 20 0 HCADLO C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000765765345 1079843101 /nfs/dbraw/zinc/84/31/01/1079843101.db2.gz PISSSOKHVJBZTQ-MGPUTAFESA-N 1 2 409.914 0.844 20 0 HCADLO C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000765765346 1079843087 /nfs/dbraw/zinc/84/30/87/1079843087.db2.gz PISSSOKHVJBZTQ-QRWLVFNGSA-N 1 2 409.914 0.844 20 0 HCADLO C[C@](O)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000765765347 1079843118 /nfs/dbraw/zinc/84/31/18/1079843118.db2.gz PISSSOKHVJBZTQ-YWZLYKJASA-N 1 2 409.914 0.844 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000765773479 1079966511 /nfs/dbraw/zinc/96/65/11/1079966511.db2.gz CJFCAVQOWPCUGJ-KRWDZBQOSA-N 1 2 414.572 0.728 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000765773481 1079966819 /nfs/dbraw/zinc/96/68/19/1079966819.db2.gz CJFCAVQOWPCUGJ-QGZVFWFLSA-N 1 2 414.572 0.728 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000765776818 1080021380 /nfs/dbraw/zinc/02/13/80/1080021380.db2.gz WGDUWMCYIRNYOP-GOSISDBHSA-N 1 2 411.524 0.984 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000765776820 1080020981 /nfs/dbraw/zinc/02/09/81/1080020981.db2.gz WGDUWMCYIRNYOP-SFHVURJKSA-N 1 2 411.524 0.984 20 0 HCADLO C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000765784726 1080024610 /nfs/dbraw/zinc/02/46/10/1080024610.db2.gz HZMBIEAIZGFEBD-FOIQADDNSA-N 1 2 409.914 0.844 20 0 HCADLO C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000765784727 1080024387 /nfs/dbraw/zinc/02/43/87/1080024387.db2.gz HZMBIEAIZGFEBD-MGPUTAFESA-N 1 2 409.914 0.844 20 0 HCADLO C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000765784728 1080024642 /nfs/dbraw/zinc/02/46/42/1080024642.db2.gz HZMBIEAIZGFEBD-QRWLVFNGSA-N 1 2 409.914 0.844 20 0 HCADLO C[C@](O)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000765784729 1080024500 /nfs/dbraw/zinc/02/45/00/1080024500.db2.gz HZMBIEAIZGFEBD-YWZLYKJASA-N 1 2 409.914 0.844 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000765787759 1080025016 /nfs/dbraw/zinc/02/50/16/1080025016.db2.gz ALUJZXQJDXZRPA-UHFFFAOYSA-N 1 2 422.482 0.610 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765802980 1080049852 /nfs/dbraw/zinc/04/98/52/1080049852.db2.gz MGYZYOVYODODBK-CVEARBPZSA-N 1 2 401.504 0.164 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765802983 1080049702 /nfs/dbraw/zinc/04/97/02/1080049702.db2.gz MGYZYOVYODODBK-HOTGVXAUSA-N 1 2 401.504 0.164 20 0 HCADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765802984 1080049799 /nfs/dbraw/zinc/04/97/99/1080049799.db2.gz MGYZYOVYODODBK-HZPDHXFCSA-N 1 2 401.504 0.164 20 0 HCADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000765802986 1080049604 /nfs/dbraw/zinc/04/96/04/1080049604.db2.gz MGYZYOVYODODBK-JKSUJKDBSA-N 1 2 401.504 0.164 20 0 HCADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000765828825 1080213774 /nfs/dbraw/zinc/21/37/74/1080213774.db2.gz QNWAKRRSMFTTIL-CYBMUJFWSA-N 1 2 402.446 0.971 20 0 HCADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000765828826 1080213851 /nfs/dbraw/zinc/21/38/51/1080213851.db2.gz QNWAKRRSMFTTIL-ZDUSSCGKSA-N 1 2 402.446 0.971 20 0 HCADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000765881005 1080312979 /nfs/dbraw/zinc/31/29/79/1080312979.db2.gz LRNVHDPBHJVTLT-HKUYNNGSSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000765881005 1080312976 /nfs/dbraw/zinc/31/29/76/1080312976.db2.gz LRNVHDPBHJVTLT-HKUYNNGSSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000765881006 1080313031 /nfs/dbraw/zinc/31/30/31/1080313031.db2.gz LRNVHDPBHJVTLT-IEBWSBKVSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000765881006 1080313025 /nfs/dbraw/zinc/31/30/25/1080313025.db2.gz LRNVHDPBHJVTLT-IEBWSBKVSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000765881007 1080313868 /nfs/dbraw/zinc/31/38/68/1080313868.db2.gz LRNVHDPBHJVTLT-MJGOQNOKSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000765881007 1080313861 /nfs/dbraw/zinc/31/38/61/1080313861.db2.gz LRNVHDPBHJVTLT-MJGOQNOKSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000765881008 1080313789 /nfs/dbraw/zinc/31/37/89/1080313789.db2.gz LRNVHDPBHJVTLT-PKOBYXMFSA-N 1 2 404.511 0.476 20 0 HCADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CCO1 ZINC000765881008 1080313782 /nfs/dbraw/zinc/31/37/82/1080313782.db2.gz LRNVHDPBHJVTLT-PKOBYXMFSA-N 1 2 404.511 0.476 20 0 HCADLO Cc1noc(C2CN(C(=O)C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000765896283 1080319671 /nfs/dbraw/zinc/31/96/71/1080319671.db2.gz RAHILEGVBFCLCS-UHFFFAOYSA-N 1 2 412.450 0.330 20 0 HCADLO Cc1cccc(C)c1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000765922003 1080395964 /nfs/dbraw/zinc/39/59/64/1080395964.db2.gz NUQOWDRCEUJZJF-UHFFFAOYSA-N 1 2 409.556 0.623 20 0 HCADLO Cn1ncc2c1ncn(CC(=O)OC[C@H]1CCC[N@H+]1CC(=O)OC(C)(C)C)c2=O ZINC000765948690 1080484434 /nfs/dbraw/zinc/48/44/34/1080484434.db2.gz GVNRHHLDNOGHAZ-CYBMUJFWSA-N 1 2 405.455 0.479 20 0 HCADLO Cn1ncc2c1ncn(CC(=O)OC[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C)c2=O ZINC000765948690 1080484428 /nfs/dbraw/zinc/48/44/28/1080484428.db2.gz GVNRHHLDNOGHAZ-CYBMUJFWSA-N 1 2 405.455 0.479 20 0 HCADLO Cn1ncc2c1ncn(CC(=O)OC[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C)c2=O ZINC000765948692 1080479541 /nfs/dbraw/zinc/47/95/41/1080479541.db2.gz GVNRHHLDNOGHAZ-ZDUSSCGKSA-N 1 2 405.455 0.479 20 0 HCADLO Cn1ncc2c1ncn(CC(=O)OC[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C)c2=O ZINC000765948692 1080479527 /nfs/dbraw/zinc/47/95/27/1080479527.db2.gz GVNRHHLDNOGHAZ-ZDUSSCGKSA-N 1 2 405.455 0.479 20 0 HCADLO Cn1cc(/C=C\C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000765963736 1080598240 /nfs/dbraw/zinc/59/82/40/1080598240.db2.gz QJQAGAIMOXTPRK-CDNLZTBQSA-N 1 2 407.467 0.447 20 0 HCADLO Cn1cc(/C=C\C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000765963736 1080598229 /nfs/dbraw/zinc/59/82/29/1080598229.db2.gz QJQAGAIMOXTPRK-CDNLZTBQSA-N 1 2 407.467 0.447 20 0 HCADLO Cn1cc(/C=C/C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000765963737 1080598127 /nfs/dbraw/zinc/59/81/27/1080598127.db2.gz QJQAGAIMOXTPRK-HVHJFMEUSA-N 1 2 407.467 0.447 20 0 HCADLO Cn1cc(/C=C/C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000765963737 1080598119 /nfs/dbraw/zinc/59/81/19/1080598119.db2.gz QJQAGAIMOXTPRK-HVHJFMEUSA-N 1 2 407.467 0.447 20 0 HCADLO Cn1cc(/C=C\C(=O)OC[C@H]2CCC[N@H+]2CC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000765963738 1080598171 /nfs/dbraw/zinc/59/81/71/1080598171.db2.gz QJQAGAIMOXTPRK-WHLNPGIBSA-N 1 2 407.467 0.447 20 0 HCADLO Cn1cc(/C=C\C(=O)OC[C@H]2CCC[N@@H+]2CC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000765963738 1080598164 /nfs/dbraw/zinc/59/81/64/1080598164.db2.gz QJQAGAIMOXTPRK-WHLNPGIBSA-N 1 2 407.467 0.447 20 0 HCADLO Cn1cc(/C=C/C(=O)OC[C@H]2CCC[N@H+]2CC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000765963739 1080597991 /nfs/dbraw/zinc/59/79/91/1080597991.db2.gz QJQAGAIMOXTPRK-XVJNWHFHSA-N 1 2 407.467 0.447 20 0 HCADLO Cn1cc(/C=C/C(=O)OC[C@H]2CCC[N@@H+]2CC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000765963739 1080597981 /nfs/dbraw/zinc/59/79/81/1080597981.db2.gz QJQAGAIMOXTPRK-XVJNWHFHSA-N 1 2 407.467 0.447 20 0 HCADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000765974346 1080999319 /nfs/dbraw/zinc/99/93/19/1080999319.db2.gz LQMDSCRTFOGQND-AWEZNQCLSA-N 1 2 416.448 0.808 20 0 HCADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000765983207 1081182761 /nfs/dbraw/zinc/18/27/61/1081182761.db2.gz LZKPKTPTZIHMTG-AWEZNQCLSA-N 1 2 406.449 0.702 20 0 HCADLO CN(CCCNC(=O)C[N@H+]1CCCN(c2ncccc2F)CC1)S(C)(=O)=O ZINC000784400259 1077446761 /nfs/dbraw/zinc/44/67/61/1077446761.db2.gz WASBQBPLMTYDDV-UHFFFAOYSA-N 1 2 401.508 0.131 20 0 HCADLO CN(CCCNC(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1)S(C)(=O)=O ZINC000784400259 1077446760 /nfs/dbraw/zinc/44/67/60/1077446760.db2.gz WASBQBPLMTYDDV-UHFFFAOYSA-N 1 2 401.508 0.131 20 0 HCADLO COC(=O)c1cc(NC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)cc(C(=O)OC)c1 ZINC000784463845 1077646037 /nfs/dbraw/zinc/64/60/37/1077646037.db2.gz FQHCINJPKZQKSF-UHFFFAOYSA-N 1 2 405.407 0.773 20 0 HCADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCSc2ccccc2)CC1 ZINC000785424675 1079299741 /nfs/dbraw/zinc/29/97/41/1079299741.db2.gz KXFDNHFFATWMKR-UHFFFAOYSA-N 1 2 413.565 0.520 20 0 HCADLO C[C@@H](CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(=O)OC(C)(C)C ZINC000785440253 1080027939 /nfs/dbraw/zinc/02/79/39/1080027939.db2.gz BCDVIHLOJXYXAG-HNNXBMFYSA-N 1 2 405.565 0.009 20 0 HCADLO C[C@H](CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(=O)OC(C)(C)C ZINC000785440255 1080029071 /nfs/dbraw/zinc/02/90/71/1080029071.db2.gz BCDVIHLOJXYXAG-OAHLLOKOSA-N 1 2 405.565 0.009 20 0 HCADLO COC(=O)N1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000785440674 1080018355 /nfs/dbraw/zinc/01/83/55/1080018355.db2.gz BHUNJTMFDONQMX-GOSISDBHSA-N 1 2 418.494 0.482 20 0 HCADLO COC(=O)N1CCC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000785440677 1080018478 /nfs/dbraw/zinc/01/84/78/1080018478.db2.gz BHUNJTMFDONQMX-SFHVURJKSA-N 1 2 418.494 0.482 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000785441770 1080037728 /nfs/dbraw/zinc/03/77/28/1080037728.db2.gz GAZMSTMEYYFLAV-IBGZPJMESA-N 1 2 417.506 0.747 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000785441772 1080037747 /nfs/dbraw/zinc/03/77/47/1080037747.db2.gz GAZMSTMEYYFLAV-LJQANCHMSA-N 1 2 417.506 0.747 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCCC2(C1)OCCO2 ZINC000785441776 1080037932 /nfs/dbraw/zinc/03/79/32/1080037932.db2.gz GGNKALJERWCUOC-UHFFFAOYSA-N 1 2 403.479 0.501 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCCC[C@H]1C1OCCO1 ZINC000785441799 1080040007 /nfs/dbraw/zinc/04/00/07/1080040007.db2.gz HCEVGCDXGYYIHK-IBGZPJMESA-N 1 2 417.506 0.889 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000785441800 1080039897 /nfs/dbraw/zinc/03/98/97/1080039897.db2.gz HCEVGCDXGYYIHK-LJQANCHMSA-N 1 2 417.506 0.889 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCC(C2OCCO2)CC1 ZINC000785441839 1080040070 /nfs/dbraw/zinc/04/00/70/1080040070.db2.gz IFQIUMDDVVZSLJ-UHFFFAOYSA-N 1 2 417.506 0.747 20 0 HCADLO CS(=O)(=O)CCN(C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000785442308 1080092255 /nfs/dbraw/zinc/09/22/55/1080092255.db2.gz JPSOXTXMYWRMNR-UHFFFAOYSA-N 1 2 423.535 0.171 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC1CCC2(CC1)OCCO2 ZINC000785443004 1080079037 /nfs/dbraw/zinc/07/90/37/1080079037.db2.gz KXFMCNUIPYODDN-UHFFFAOYSA-N 1 2 417.506 0.937 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCC2(CC1)OCCO2 ZINC000785443104 1080070271 /nfs/dbraw/zinc/07/02/71/1080070271.db2.gz MEYIMDYTIBUDIK-UHFFFAOYSA-N 1 2 403.479 0.501 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000785443529 1080099071 /nfs/dbraw/zinc/09/90/71/1080099071.db2.gz NFXYOFOSXJUZSC-IBGZPJMESA-N 1 2 417.506 0.937 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000785443531 1080098931 /nfs/dbraw/zinc/09/89/31/1080098931.db2.gz NFXYOFOSXJUZSC-LJQANCHMSA-N 1 2 417.506 0.937 20 0 HCADLO CCOC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000785443776 1080097694 /nfs/dbraw/zinc/09/76/94/1080097694.db2.gz OIOICGOHTKNHKP-UHFFFAOYSA-N 1 2 418.494 0.436 20 0 HCADLO CN(Cc1nnc2ccccn21)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785444259 1080110248 /nfs/dbraw/zinc/11/02/48/1080110248.db2.gz QVEYWXOWDVIYSF-UHFFFAOYSA-N 1 2 422.489 0.836 20 0 HCADLO CC(C)(C)[S@](=O)CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785445396 1080119481 /nfs/dbraw/zinc/11/94/81/1080119481.db2.gz XFFDHVKYMCVMSB-MUUNZHRXSA-N 1 2 409.552 0.798 20 0 HCADLO CC(C)(C)[S@@](=O)CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785445399 1080119254 /nfs/dbraw/zinc/11/92/54/1080119254.db2.gz XFFDHVKYMCVMSB-NDEPHWFRSA-N 1 2 409.552 0.798 20 0 HCADLO CON(CC1CCOCC1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785445812 1080109304 /nfs/dbraw/zinc/10/93/04/1080109304.db2.gz YYBCVLDAYAPLMA-UHFFFAOYSA-N 1 2 405.495 0.952 20 0 HCADLO CC(C)(C)OC(=O)NCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785445822 1080108365 /nfs/dbraw/zinc/10/83/65/1080108365.db2.gz ZARTWWSGJGOFHC-UHFFFAOYSA-N 1 2 420.510 0.776 20 0 HCADLO CCN(CCS(C)(=O)=O)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785445865 1080107563 /nfs/dbraw/zinc/10/75/63/1080107563.db2.gz ZLDPCIUFNXHXKY-UHFFFAOYSA-N 1 2 411.524 0.028 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000785454991 1080404475 /nfs/dbraw/zinc/40/44/75/1080404475.db2.gz KHNFLRBHGXLVIV-UHFFFAOYSA-N 1 2 416.301 0.819 20 0 HCADLO CCOC(=O)Cc1ncccc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000914467143 1077616914 /nfs/dbraw/zinc/61/69/14/1077616914.db2.gz NHLSRYBOTSILDV-UHFFFAOYSA-N 1 2 409.450 0.826 20 0 HCADLO COc1ccc2c(C)c(CCC(=O)NC[C@H](O)C[NH+]3CCOCC3)c(=O)oc2c1 ZINC000914535686 1077659912 /nfs/dbraw/zinc/65/99/12/1077659912.db2.gz ASOYPRZOOFOMBH-HNNXBMFYSA-N 1 2 404.463 0.852 20 0 HCADLO COc1ccc2c(C)c(CCC(=O)NC[C@@H](O)C[NH+]3CCOCC3)c(=O)oc2c1 ZINC000914535687 1077659788 /nfs/dbraw/zinc/65/97/88/1077659788.db2.gz ASOYPRZOOFOMBH-OAHLLOKOSA-N 1 2 404.463 0.852 20 0 HCADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000914535835 1077659868 /nfs/dbraw/zinc/65/98/68/1077659868.db2.gz PPQYKICPGQIKMG-KRWDZBQOSA-N 1 2 424.457 0.514 20 0 HCADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000914535836 1077659903 /nfs/dbraw/zinc/65/99/03/1077659903.db2.gz PPQYKICPGQIKMG-QGZVFWFLSA-N 1 2 424.457 0.514 20 0 HCADLO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1Cl ZINC000914535853 1077659856 /nfs/dbraw/zinc/65/98/56/1077659856.db2.gz RUKYHRCVIHJKIW-CYBMUJFWSA-N 1 2 405.904 0.013 20 0 HCADLO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1Cl ZINC000914535854 1077659765 /nfs/dbraw/zinc/65/97/65/1077659765.db2.gz RUKYHRCVIHJKIW-ZDUSSCGKSA-N 1 2 405.904 0.013 20 0 HCADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000914535872 1077659835 /nfs/dbraw/zinc/65/98/35/1077659835.db2.gz SSMNKGXQUCNHMJ-HNNXBMFYSA-N 1 2 408.476 0.676 20 0 HCADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000914535873 1077659925 /nfs/dbraw/zinc/65/99/25/1077659925.db2.gz SSMNKGXQUCNHMJ-OAHLLOKOSA-N 1 2 408.476 0.676 20 0 HCADLO O=C(/C=C\c1ccc(I)o1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000914535901 1077659749 /nfs/dbraw/zinc/65/97/49/1077659749.db2.gz WKFAQUQVDHAJLN-CJHWANRJSA-N 1 2 406.220 0.707 20 0 HCADLO O=C(/C=C\c1ccc(I)o1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000914535902 1077659800 /nfs/dbraw/zinc/65/98/00/1077659800.db2.gz WKFAQUQVDHAJLN-MORRKMRCSA-N 1 2 406.220 0.707 20 0 HCADLO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000914536990 1077664307 /nfs/dbraw/zinc/66/43/07/1077664307.db2.gz XEZMSMOTNWUZQW-INIZCTEOSA-N 1 2 405.524 0.742 20 0 HCADLO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000914536991 1077664254 /nfs/dbraw/zinc/66/42/54/1077664254.db2.gz XEZMSMOTNWUZQW-MRXNPFEDSA-N 1 2 405.524 0.742 20 0 HCADLO Cc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000914536997 1077664298 /nfs/dbraw/zinc/66/42/98/1077664298.db2.gz ZDCCNMVJFOELNK-INIZCTEOSA-N 1 2 405.524 0.742 20 0 HCADLO Cc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000914536998 1077664235 /nfs/dbraw/zinc/66/42/35/1077664235.db2.gz ZDCCNMVJFOELNK-MRXNPFEDSA-N 1 2 405.524 0.742 20 0 HCADLO CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000914540605 1077667262 /nfs/dbraw/zinc/66/72/62/1077667262.db2.gz HSVQOQDQINJCFT-UHFFFAOYSA-N 1 2 412.560 0.676 20 0 HCADLO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1F ZINC000914541890 1077667487 /nfs/dbraw/zinc/66/74/87/1077667487.db2.gz HSTMLPLJZZCBCG-HNNXBMFYSA-N 1 2 417.503 0.279 20 0 HCADLO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1F ZINC000914541891 1077667608 /nfs/dbraw/zinc/66/76/08/1077667608.db2.gz HSTMLPLJZZCBCG-OAHLLOKOSA-N 1 2 417.503 0.279 20 0 HCADLO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000914542594 1077667708 /nfs/dbraw/zinc/66/77/08/1077667708.db2.gz BLGCHQXDTBFBCS-AWEZNQCLSA-N 1 2 417.503 0.278 20 0 HCADLO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000914542595 1077667593 /nfs/dbraw/zinc/66/75/93/1077667593.db2.gz BLGCHQXDTBFBCS-CQSZACIVSA-N 1 2 417.503 0.278 20 0 HCADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000914543247 1077667652 /nfs/dbraw/zinc/66/76/52/1077667652.db2.gz NZACUANGTIYMTO-AMRJIULGSA-N 1 2 424.461 0.741 20 0 HCADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000914543248 1077667533 /nfs/dbraw/zinc/66/75/33/1077667533.db2.gz NZACUANGTIYMTO-HNMKQIAWSA-N 1 2 424.461 0.741 20 0 HCADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000914543251 1077667570 /nfs/dbraw/zinc/66/75/70/1077667570.db2.gz NZACUANGTIYMTO-MCRQTXEHSA-N 1 2 424.461 0.741 20 0 HCADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000914543254 1077667688 /nfs/dbraw/zinc/66/76/88/1077667688.db2.gz NZACUANGTIYMTO-NFBGKYEXSA-N 1 2 424.461 0.741 20 0 HCADLO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000914572859 1077670718 /nfs/dbraw/zinc/67/07/18/1077670718.db2.gz IXXRRWFUZQITCM-UHFFFAOYSA-N 1 2 403.483 0.724 20 0 HCADLO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000914572859 1077670712 /nfs/dbraw/zinc/67/07/12/1077670712.db2.gz IXXRRWFUZQITCM-UHFFFAOYSA-N 1 2 403.483 0.724 20 0 HCADLO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000914573239 1077675215 /nfs/dbraw/zinc/67/52/15/1077675215.db2.gz QAKCEUGASIMRMJ-UHFFFAOYSA-N 1 2 422.507 0.935 20 0 HCADLO CC(C)(C)C(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000914575709 1077676776 /nfs/dbraw/zinc/67/67/76/1077676776.db2.gz WXXNSCDWLKGISL-UHFFFAOYSA-N 1 2 407.515 0.853 20 0 HCADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncn(C)c1Cl ZINC000914577534 1077677999 /nfs/dbraw/zinc/67/79/99/1077677999.db2.gz SWLPPKMTBRUBKF-GFCCVEGCSA-N 1 2 412.965 0.593 20 0 HCADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncn(C)c1Cl ZINC000914577535 1077677962 /nfs/dbraw/zinc/67/79/62/1077677962.db2.gz SWLPPKMTBRUBKF-LBPRGKRZSA-N 1 2 412.965 0.593 20 0 HCADLO COCCN1C[C@@H](C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000914588936 1077685953 /nfs/dbraw/zinc/68/59/53/1077685953.db2.gz IBBGLWTUDTWQNQ-KRWDZBQOSA-N 1 2 419.478 0.495 20 0 HCADLO COCCN1C[C@H](C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000914588937 1077685808 /nfs/dbraw/zinc/68/58/08/1077685808.db2.gz IBBGLWTUDTWQNQ-QGZVFWFLSA-N 1 2 419.478 0.495 20 0 HCADLO CS(=O)(=O)NCCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000914598705 1077689170 /nfs/dbraw/zinc/68/91/70/1077689170.db2.gz WFBPMSRJYICYLV-UHFFFAOYSA-N 1 2 424.445 0.962 20 0 HCADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000914608660 1077692141 /nfs/dbraw/zinc/69/21/41/1077692141.db2.gz NXBUAMAPYJMZAW-HNNXBMFYSA-N 1 2 415.487 0.033 20 0 HCADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000914608661 1077692215 /nfs/dbraw/zinc/69/22/15/1077692215.db2.gz NXBUAMAPYJMZAW-OAHLLOKOSA-N 1 2 415.487 0.033 20 0 HCADLO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1F ZINC000914608791 1077692239 /nfs/dbraw/zinc/69/22/39/1077692239.db2.gz WFJMKHVJXBPLLJ-AWEZNQCLSA-N 1 2 417.503 0.325 20 0 HCADLO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1F ZINC000914608792 1077692195 /nfs/dbraw/zinc/69/21/95/1077692195.db2.gz WFJMKHVJXBPLLJ-CQSZACIVSA-N 1 2 417.503 0.325 20 0 HCADLO COCCN1C[C@@H](C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1=O ZINC000914664642 1077726816 /nfs/dbraw/zinc/72/68/16/1077726816.db2.gz XWKLAKWIDKNORO-HNNXBMFYSA-N 1 2 409.508 0.430 20 0 HCADLO COCCN1C[C@H](C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1=O ZINC000914664643 1077726594 /nfs/dbraw/zinc/72/65/94/1077726594.db2.gz XWKLAKWIDKNORO-OAHLLOKOSA-N 1 2 409.508 0.430 20 0 HCADLO COc1ccc(C=O)c(OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000914686293 1077737004 /nfs/dbraw/zinc/73/70/04/1077737004.db2.gz DIADHJDFOZSUQJ-UHFFFAOYSA-N 1 2 410.434 0.912 20 0 HCADLO CC(=O)N1C[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)Oc2ccccc21 ZINC000914688124 1077735123 /nfs/dbraw/zinc/73/51/23/1077735123.db2.gz GSXKTXDOZLNWMK-FQEVSTJZSA-N 1 2 414.506 0.957 20 0 HCADLO CC(=O)N1C[C@@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)Oc2ccccc21 ZINC000914688124 1077735114 /nfs/dbraw/zinc/73/51/14/1077735114.db2.gz GSXKTXDOZLNWMK-FQEVSTJZSA-N 1 2 414.506 0.957 20 0 HCADLO CC(=O)N1C[C@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)Oc2ccccc21 ZINC000914688127 1077735037 /nfs/dbraw/zinc/73/50/37/1077735037.db2.gz GSXKTXDOZLNWMK-HXUWFJFHSA-N 1 2 414.506 0.957 20 0 HCADLO CC(=O)N1C[C@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)Oc2ccccc21 ZINC000914688127 1077735032 /nfs/dbraw/zinc/73/50/32/1077735032.db2.gz GSXKTXDOZLNWMK-HXUWFJFHSA-N 1 2 414.506 0.957 20 0 HCADLO CC(C)NS(=O)(=O)c1ccc(=NNC(=S)NCCC[NH+]2CCOCC2)[nH]c1 ZINC000914703802 1077740115 /nfs/dbraw/zinc/74/01/15/1077740115.db2.gz MFFAZRNHPXATBC-UHFFFAOYSA-N 1 2 416.573 0.282 20 0 HCADLO CC(C)NS(=O)(=O)c1ccc(NNC(=S)NCCC[NH+]2CCOCC2)nc1 ZINC000914703802 1077740109 /nfs/dbraw/zinc/74/01/09/1077740109.db2.gz MFFAZRNHPXATBC-UHFFFAOYSA-N 1 2 416.573 0.282 20 0 HCADLO O=S(=O)(NC1CC1)c1ccc(=NNC(=S)NCCC[NH+]2CCOCC2)[nH]c1 ZINC000914705931 1077740492 /nfs/dbraw/zinc/74/04/92/1077740492.db2.gz ZANHNRLAKBKQCH-UHFFFAOYSA-N 1 2 414.557 0.036 20 0 HCADLO O=S(=O)(NC1CC1)c1ccc(NNC(=S)NCCC[NH+]2CCOCC2)nc1 ZINC000914705931 1077740486 /nfs/dbraw/zinc/74/04/86/1077740486.db2.gz ZANHNRLAKBKQCH-UHFFFAOYSA-N 1 2 414.557 0.036 20 0 HCADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cn(-c2ccccc2Br)nn1 ZINC000914725396 1077742338 /nfs/dbraw/zinc/74/23/38/1077742338.db2.gz ZBSFEUQJHPSHKY-GFCCVEGCSA-N 1 2 410.272 0.453 20 0 HCADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cn(-c2ccccc2Br)nn1 ZINC000914725398 1077742357 /nfs/dbraw/zinc/74/23/57/1077742357.db2.gz ZBSFEUQJHPSHKY-LBPRGKRZSA-N 1 2 410.272 0.453 20 0 HCADLO Cn1cc(/C=C\C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000914764052 1077748617 /nfs/dbraw/zinc/74/86/17/1077748617.db2.gz IVZUTCRJLVOLRU-HJWRWDBZSA-N 1 2 411.462 0.124 20 0 HCADLO CNC(=O)C[NH+]1CCC(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000914782296 1077751968 /nfs/dbraw/zinc/75/19/68/1077751968.db2.gz MLBYPLZLQDKVQZ-UHFFFAOYSA-N 1 2 403.508 0.402 20 0 HCADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000914788063 1077756236 /nfs/dbraw/zinc/75/62/36/1077756236.db2.gz YOGGDIQRRBZJAJ-JYRVWZFOSA-N 1 2 422.551 0.575 20 0 HCADLO CC(C)C[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000914788063 1077756230 /nfs/dbraw/zinc/75/62/30/1077756230.db2.gz YOGGDIQRRBZJAJ-JYRVWZFOSA-N 1 2 422.551 0.575 20 0 HCADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000914788064 1077756192 /nfs/dbraw/zinc/75/61/92/1077756192.db2.gz YOGGDIQRRBZJAJ-MDWZMJQESA-N 1 2 422.551 0.575 20 0 HCADLO CC(C)C[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000914788064 1077756186 /nfs/dbraw/zinc/75/61/86/1077756186.db2.gz YOGGDIQRRBZJAJ-MDWZMJQESA-N 1 2 422.551 0.575 20 0 HCADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCCN(CC(=O)N(CC)CC)CC2)CC1 ZINC000914788835 1077756753 /nfs/dbraw/zinc/75/67/53/1077756753.db2.gz YSLYBGVBILUTLS-UHFFFAOYSA-N 1 2 411.547 0.163 20 0 HCADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCCN(CC(=O)N(CC)CC)CC2)CC1 ZINC000914788835 1077756749 /nfs/dbraw/zinc/75/67/49/1077756749.db2.gz YSLYBGVBILUTLS-UHFFFAOYSA-N 1 2 411.547 0.163 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000914789182 1077756995 /nfs/dbraw/zinc/75/69/95/1077756995.db2.gz OCBUDXGDXXWAHK-DAYGRLMNSA-N 1 2 401.504 0.831 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000914789183 1077757195 /nfs/dbraw/zinc/75/71/95/1077757195.db2.gz OCBUDXGDXXWAHK-IIDMSEBBSA-N 1 2 401.504 0.831 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000914789184 1077757150 /nfs/dbraw/zinc/75/71/50/1077757150.db2.gz OCBUDXGDXXWAHK-RKVPGOIHSA-N 1 2 401.504 0.831 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000914789185 1077757023 /nfs/dbraw/zinc/75/70/23/1077757023.db2.gz OCBUDXGDXXWAHK-RVKKMQEKSA-N 1 2 401.504 0.831 20 0 HCADLO CCN1C[C@H](C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000914801423 1077759480 /nfs/dbraw/zinc/75/94/80/1077759480.db2.gz SDNFEONHVSSZFG-GOSISDBHSA-N 1 2 403.479 0.547 20 0 HCADLO CCN1C[C@@H](C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000914801426 1077759363 /nfs/dbraw/zinc/75/93/63/1077759363.db2.gz SDNFEONHVSSZFG-SFHVURJKSA-N 1 2 403.479 0.547 20 0 HCADLO CN(CC(=O)NCCc1cn2c([nH+]1)CCCC2)C1=NS(=O)(=O)c2ccccc21 ZINC000914848108 1077774929 /nfs/dbraw/zinc/77/49/29/1077774929.db2.gz IYPGTIPGRSPRTK-UHFFFAOYSA-N 1 2 401.492 0.959 20 0 HCADLO Cc1nc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(C(F)(F)F)n1 ZINC000914863453 1077783884 /nfs/dbraw/zinc/78/38/84/1077783884.db2.gz OLSNVHHNYAPFMJ-UHFFFAOYSA-N 1 2 408.450 0.418 20 0 HCADLO CC(C)COCCC[N@H+](CC(=O)N1CCO[C@H](C)C1)CC(=O)N1CCO[C@@H](C)C1 ZINC000914872571 1077791369 /nfs/dbraw/zinc/79/13/69/1077791369.db2.gz DJNPQASLAPFHOC-KDURUIRLSA-N 1 2 413.559 0.846 20 0 HCADLO CC(C)COCCC[N@@H+](CC(=O)N1CCO[C@H](C)C1)CC(=O)N1CCO[C@@H](C)C1 ZINC000914872571 1077791362 /nfs/dbraw/zinc/79/13/62/1077791362.db2.gz DJNPQASLAPFHOC-KDURUIRLSA-N 1 2 413.559 0.846 20 0 HCADLO CC(C)COCCC[NH+](CC(=O)N1CCO[C@@H](C)C1)CC(=O)N1CCO[C@@H](C)C1 ZINC000914872572 1077791413 /nfs/dbraw/zinc/79/14/13/1077791413.db2.gz DJNPQASLAPFHOC-OALUTQOASA-N 1 2 413.559 0.846 20 0 HCADLO CC(C)COCCC[NH+](CC(=O)N1CCO[C@H](C)C1)CC(=O)N1CCO[C@H](C)C1 ZINC000914872573 1077791660 /nfs/dbraw/zinc/79/16/60/1077791660.db2.gz DJNPQASLAPFHOC-RTBURBONSA-N 1 2 413.559 0.846 20 0 HCADLO CS(=O)(=O)Nc1cccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000914878739 1077794082 /nfs/dbraw/zinc/79/40/82/1077794082.db2.gz SRVLHWPCSRJRQD-UHFFFAOYSA-N 1 2 408.524 0.828 20 0 HCADLO CS(=O)(=O)Nc1cccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000914878739 1077794074 /nfs/dbraw/zinc/79/40/74/1077794074.db2.gz SRVLHWPCSRJRQD-UHFFFAOYSA-N 1 2 408.524 0.828 20 0 HCADLO CN(CC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000914879685 1077793977 /nfs/dbraw/zinc/79/39/77/1077793977.db2.gz PWKQHZZJQZYVJB-INIZCTEOSA-N 1 2 420.535 0.781 20 0 HCADLO CN(CC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000914879685 1077793963 /nfs/dbraw/zinc/79/39/63/1077793963.db2.gz PWKQHZZJQZYVJB-INIZCTEOSA-N 1 2 420.535 0.781 20 0 HCADLO CN(CC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000914879786 1077794025 /nfs/dbraw/zinc/79/40/25/1077794025.db2.gz PWKQHZZJQZYVJB-MRXNPFEDSA-N 1 2 420.535 0.781 20 0 HCADLO CN(CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000914879786 1077794012 /nfs/dbraw/zinc/79/40/12/1077794012.db2.gz PWKQHZZJQZYVJB-MRXNPFEDSA-N 1 2 420.535 0.781 20 0 HCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)CN(C)C(C)=O)CC2)cc1OC ZINC000914922057 1077804811 /nfs/dbraw/zinc/80/48/11/1077804811.db2.gz JANXTJTXBYVGQJ-UHFFFAOYSA-N 1 2 421.494 0.678 20 0 HCADLO CN(CC(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ncccn1 ZINC000914929832 1077806209 /nfs/dbraw/zinc/80/62/09/1077806209.db2.gz XRTIZSFNSJYGLR-UHFFFAOYSA-N 1 2 413.478 0.605 20 0 HCADLO CN(C)c1ccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000914965447 1077810339 /nfs/dbraw/zinc/81/03/39/1077810339.db2.gz PWHJPRCUJIPCTL-UHFFFAOYSA-N 1 2 424.465 0.330 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CC[C@@H]2CCCO2)CC1 ZINC000914973575 1077811624 /nfs/dbraw/zinc/81/16/24/1077811624.db2.gz NPJQZFUXANSADO-AWEZNQCLSA-N 1 2 402.455 0.514 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CC[C@H]2CCCO2)CC1 ZINC000914973576 1077811582 /nfs/dbraw/zinc/81/15/82/1077811582.db2.gz NPJQZFUXANSADO-CQSZACIVSA-N 1 2 402.455 0.514 20 0 HCADLO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc(F)ccc2NS(C)(=O)=O)CC1 ZINC000915010151 1077813975 /nfs/dbraw/zinc/81/39/75/1077813975.db2.gz ZTWLDZAPSRHGCG-GFCCVEGCSA-N 1 2 401.460 0.907 20 0 HCADLO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(F)ccc2NS(C)(=O)=O)CC1 ZINC000915010152 1077814002 /nfs/dbraw/zinc/81/40/02/1077814002.db2.gz ZTWLDZAPSRHGCG-LBPRGKRZSA-N 1 2 401.460 0.907 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)o1 ZINC000915036240 1077819961 /nfs/dbraw/zinc/81/99/61/1077819961.db2.gz CTZVCTDMANYEBM-UHFFFAOYSA-N 1 2 413.477 0.490 20 0 HCADLO NS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000915036767 1077820981 /nfs/dbraw/zinc/82/09/81/1077820981.db2.gz KBIBGFWNBRLFDN-UHFFFAOYSA-N 1 2 423.447 0.555 20 0 HCADLO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000915067825 1077824607 /nfs/dbraw/zinc/82/46/07/1077824607.db2.gz WQKDACVVLYCJLW-AWEZNQCLSA-N 1 2 424.548 0.738 20 0 HCADLO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000915067827 1077824739 /nfs/dbraw/zinc/82/47/39/1077824739.db2.gz WQKDACVVLYCJLW-CQSZACIVSA-N 1 2 424.548 0.738 20 0 HCADLO Cn1ccnc1[C@@](O)(CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000915087792 1077828998 /nfs/dbraw/zinc/82/89/98/1077828998.db2.gz AJPGTNLGYOKEEG-CVEARBPZSA-N 1 2 422.473 0.884 20 0 HCADLO Cn1ccnc1[C@@](O)(CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000915087794 1077828967 /nfs/dbraw/zinc/82/89/67/1077828967.db2.gz AJPGTNLGYOKEEG-HOTGVXAUSA-N 1 2 422.473 0.884 20 0 HCADLO Cn1ccnc1[C@](O)(CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000915087795 1077828994 /nfs/dbraw/zinc/82/89/94/1077828994.db2.gz AJPGTNLGYOKEEG-HZPDHXFCSA-N 1 2 422.473 0.884 20 0 HCADLO Cn1ccnc1[C@](O)(CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000915087800 1077829018 /nfs/dbraw/zinc/82/90/18/1077829018.db2.gz AJPGTNLGYOKEEG-JKSUJKDBSA-N 1 2 422.473 0.884 20 0 HCADLO Cc1cccc([C@H](CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[NH+]2CCOCC2)c1 ZINC000915201008 1077839215 /nfs/dbraw/zinc/83/92/15/1077839215.db2.gz VYNVFTIQALKPMA-FQQSSWHASA-N 1 2 412.490 0.595 20 0 HCADLO Cc1cccc([C@@H](CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)[NH+]2CCOCC2)c1 ZINC000915201009 1077839157 /nfs/dbraw/zinc/83/91/57/1077839157.db2.gz VYNVFTIQALKPMA-QULHZPMSSA-N 1 2 412.490 0.595 20 0 HCADLO Cn1c(N2CCOCC2)nn(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)c1=S ZINC000915202820 1077839533 /nfs/dbraw/zinc/83/95/33/1077839533.db2.gz NTINHCQODUTEKY-UHFFFAOYSA-N 1 2 423.587 0.375 20 0 HCADLO Cn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1=S ZINC000915203499 1077839742 /nfs/dbraw/zinc/83/97/42/1077839742.db2.gz SKPAGDDPDDYHGH-HNNXBMFYSA-N 1 2 410.544 0.316 20 0 HCADLO Cn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1=S ZINC000915203499 1077839741 /nfs/dbraw/zinc/83/97/41/1077839741.db2.gz SKPAGDDPDDYHGH-HNNXBMFYSA-N 1 2 410.544 0.316 20 0 HCADLO Cn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1=S ZINC000915203500 1077839726 /nfs/dbraw/zinc/83/97/26/1077839726.db2.gz SKPAGDDPDDYHGH-OAHLLOKOSA-N 1 2 410.544 0.316 20 0 HCADLO Cn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1=S ZINC000915203500 1077839725 /nfs/dbraw/zinc/83/97/25/1077839725.db2.gz SKPAGDDPDDYHGH-OAHLLOKOSA-N 1 2 410.544 0.316 20 0 HCADLO Cc1nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=S)n1C1CC1 ZINC000915208026 1077840566 /nfs/dbraw/zinc/84/05/66/1077840566.db2.gz KLQODRGABGFAQX-UHFFFAOYSA-N 1 2 415.589 0.125 20 0 HCADLO CSCc1nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=S)o1 ZINC000915209179 1077840552 /nfs/dbraw/zinc/84/05/52/1077840552.db2.gz TVRSSVVQXPEZNE-UHFFFAOYSA-N 1 2 422.602 0.136 20 0 HCADLO CC(C)n1ccn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1=S ZINC000915209362 1077840584 /nfs/dbraw/zinc/84/05/84/1077840584.db2.gz VKWUEXMPIJMELH-UHFFFAOYSA-N 1 2 402.590 0.667 20 0 HCADLO COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000915269133 1077846800 /nfs/dbraw/zinc/84/68/00/1077846800.db2.gz MBKSJOWLNPIFQH-VMPITWQZSA-N 1 2 408.524 0.345 20 0 HCADLO COc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000915269134 1077846816 /nfs/dbraw/zinc/84/68/16/1077846816.db2.gz MBKSJOWLNPIFQH-YVMONPNESA-N 1 2 408.524 0.345 20 0 HCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@@H]3COCCO3)CC2)cc1OC ZINC000915415479 1077872449 /nfs/dbraw/zinc/87/24/49/1077872449.db2.gz WVFRKLABUDNEIQ-IBGZPJMESA-N 1 2 422.478 0.615 20 0 HCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@H]3COCCO3)CC2)cc1OC ZINC000915415480 1077872436 /nfs/dbraw/zinc/87/24/36/1077872436.db2.gz WVFRKLABUDNEIQ-LJQANCHMSA-N 1 2 422.478 0.615 20 0 HCADLO CNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000915417778 1077873378 /nfs/dbraw/zinc/87/33/78/1077873378.db2.gz NWPUPLKXWTZPFU-UHFFFAOYSA-N 1 2 421.475 0.689 20 0 HCADLO O=C(COC(=O)CN1CCCNC1=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000915433358 1077875748 /nfs/dbraw/zinc/87/57/48/1077875748.db2.gz IHCXOESECKYZOG-UHFFFAOYSA-N 1 2 404.467 0.094 20 0 HCADLO O=C(COC(=O)CN1CCCCC1=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000915458056 1077881522 /nfs/dbraw/zinc/88/15/22/1077881522.db2.gz QOUQYFSSPNFJBY-UHFFFAOYSA-N 1 2 403.479 0.691 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)COCC(F)(F)F)CC1 ZINC000915548084 1077926054 /nfs/dbraw/zinc/92/60/54/1077926054.db2.gz NRFRHOOEQFASHB-UHFFFAOYSA-N 1 2 416.360 0.134 20 0 HCADLO O=C(COC(=O)CCCN1C(=O)CCC1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000915557489 1077923358 /nfs/dbraw/zinc/92/33/58/1077923358.db2.gz HNTPFXOWRJZVJR-UHFFFAOYSA-N 1 2 417.462 0.930 20 0 HCADLO O=C(CCCN1C(=O)CCC1=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000915559022 1077928564 /nfs/dbraw/zinc/92/85/64/1077928564.db2.gz XPNVYQKJIUBFOG-UHFFFAOYSA-N 1 2 407.492 0.865 20 0 HCADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(S(N)(=O)=O)c3)CC2)cc1 ZINC000915615489 1077939886 /nfs/dbraw/zinc/93/98/86/1077939886.db2.gz WHOMFZJKQTWMIX-UHFFFAOYSA-N 1 2 420.466 0.530 20 0 HCADLO Cc1sc(=O)n(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1-c1ccc(F)cc1 ZINC000915641711 1077947623 /nfs/dbraw/zinc/94/76/23/1077947623.db2.gz OCFULSOFSKNFFD-INIZCTEOSA-N 1 2 409.483 0.834 20 0 HCADLO Cc1sc(=O)n(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1-c1ccc(F)cc1 ZINC000915641712 1077947570 /nfs/dbraw/zinc/94/75/70/1077947570.db2.gz OCFULSOFSKNFFD-MRXNPFEDSA-N 1 2 409.483 0.834 20 0 HCADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000915642015 1077947405 /nfs/dbraw/zinc/94/74/05/1077947405.db2.gz UPFLOYPHCKROFK-IBGZPJMESA-N 1 2 405.495 0.845 20 0 HCADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000915642016 1077947480 /nfs/dbraw/zinc/94/74/80/1077947480.db2.gz UPFLOYPHCKROFK-LJQANCHMSA-N 1 2 405.495 0.845 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000915647802 1077945531 /nfs/dbraw/zinc/94/55/31/1077945531.db2.gz DPZBTXCUQYWQKH-HNNXBMFYSA-N 1 2 420.535 0.684 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000915647803 1077945655 /nfs/dbraw/zinc/94/56/55/1077945655.db2.gz DPZBTXCUQYWQKH-OAHLLOKOSA-N 1 2 420.535 0.684 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000915648637 1077945454 /nfs/dbraw/zinc/94/54/54/1077945454.db2.gz PLZASFMIJUZFJR-GFCCVEGCSA-N 1 2 410.521 0.749 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000915648640 1077945433 /nfs/dbraw/zinc/94/54/33/1077945433.db2.gz PLZASFMIJUZFJR-LBPRGKRZSA-N 1 2 410.521 0.749 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H](O)c2ccccc2)CC1 ZINC000915718688 1077960685 /nfs/dbraw/zinc/96/06/85/1077960685.db2.gz OITPAQUGQUKLEI-IBGZPJMESA-N 1 2 410.474 0.863 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](O)c2ccccc2)CC1 ZINC000915718689 1077960472 /nfs/dbraw/zinc/96/04/72/1077960472.db2.gz OITPAQUGQUKLEI-LJQANCHMSA-N 1 2 410.474 0.863 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](O)c1ccco1 ZINC000915739781 1077965840 /nfs/dbraw/zinc/96/58/40/1077965840.db2.gz ZZRNQNSUCLGDOE-HNNXBMFYSA-N 1 2 423.495 0.159 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)c1ccco1 ZINC000915739782 1077965881 /nfs/dbraw/zinc/96/58/81/1077965881.db2.gz ZZRNQNSUCLGDOE-OAHLLOKOSA-N 1 2 423.495 0.159 20 0 HCADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000915755972 1077969042 /nfs/dbraw/zinc/96/90/42/1077969042.db2.gz MYBYAQABYFLVBC-UHFFFAOYSA-N 1 2 422.489 0.873 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H](O)c2ccco2)CC1 ZINC000915768357 1077971957 /nfs/dbraw/zinc/97/19/57/1077971957.db2.gz GGPGNMTXYMVTMO-INIZCTEOSA-N 1 2 400.435 0.456 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](O)c2ccco2)CC1 ZINC000915768359 1077972085 /nfs/dbraw/zinc/97/20/85/1077972085.db2.gz GGPGNMTXYMVTMO-MRXNPFEDSA-N 1 2 400.435 0.456 20 0 HCADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000915777806 1077978569 /nfs/dbraw/zinc/97/85/69/1077978569.db2.gz QTIMGWIQRLJQKC-UHFFFAOYSA-N 1 2 410.478 0.453 20 0 HCADLO O=C(C1CC[NH+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1)N1CCOCC1 ZINC000915837747 1078005354 /nfs/dbraw/zinc/00/53/54/1078005354.db2.gz JQNPSOZWFCUKRT-GOSISDBHSA-N 1 2 400.479 0.678 20 0 HCADLO O=C(C1CC[NH+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1)N1CCOCC1 ZINC000915837748 1078005402 /nfs/dbraw/zinc/00/54/02/1078005402.db2.gz JQNPSOZWFCUKRT-SFHVURJKSA-N 1 2 400.479 0.678 20 0 HCADLO O=C(C1CC[NH+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1)N1CCOCC1 ZINC000915837852 1078005236 /nfs/dbraw/zinc/00/52/36/1078005236.db2.gz MCVMJYXQTRSYLI-UHFFFAOYSA-N 1 2 414.462 0.506 20 0 HCADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000915853122 1078005793 /nfs/dbraw/zinc/00/57/93/1078005793.db2.gz IXIYTLZCCYWLOZ-MOPGFXCFSA-N 1 2 405.495 0.987 20 0 HCADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000915853123 1078005875 /nfs/dbraw/zinc/00/58/75/1078005875.db2.gz IXIYTLZCCYWLOZ-OALUTQOASA-N 1 2 405.495 0.987 20 0 HCADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000915853124 1078005865 /nfs/dbraw/zinc/00/58/65/1078005865.db2.gz IXIYTLZCCYWLOZ-RBUKOAKNSA-N 1 2 405.495 0.987 20 0 HCADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000915853125 1078005820 /nfs/dbraw/zinc/00/58/20/1078005820.db2.gz IXIYTLZCCYWLOZ-RTBURBONSA-N 1 2 405.495 0.987 20 0 HCADLO Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)cs1 ZINC000915853195 1078005905 /nfs/dbraw/zinc/00/59/05/1078005905.db2.gz PIMBJJDPPQPJLJ-AWEZNQCLSA-N 1 2 408.480 0.649 20 0 HCADLO Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cs1 ZINC000915853196 1078005857 /nfs/dbraw/zinc/00/58/57/1078005857.db2.gz PIMBJJDPPQPJLJ-CQSZACIVSA-N 1 2 408.480 0.649 20 0 HCADLO COCCOC(=O)c1sc2[nH]c(CN3CC[NH+](CCO)CC3)nc(=O)c2c1C ZINC000915876347 1078022830 /nfs/dbraw/zinc/02/28/30/1078022830.db2.gz CQDAUSCXOWTNDX-UHFFFAOYSA-N 1 2 410.496 0.206 20 0 HCADLO O=C(NCCCn1cc[nH+]c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000915880555 1078046182 /nfs/dbraw/zinc/04/61/82/1078046182.db2.gz KCDZJPYUVNXTSR-UHFFFAOYSA-N 1 2 402.480 0.750 20 0 HCADLO COc1cccc(NC(=S)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000916013420 1078057106 /nfs/dbraw/zinc/05/71/06/1078057106.db2.gz UNXBMHUYYFMWBR-UHFFFAOYSA-N 1 2 413.569 0.502 20 0 HCADLO C[C@@H]1CCCC[C@@H]1NC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000916013509 1078057153 /nfs/dbraw/zinc/05/71/53/1078057153.db2.gz YTFYNHUUFJFLQZ-CVEARBPZSA-N 1 2 403.618 0.549 20 0 HCADLO C[C@H]1CCCC[C@@H]1NC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000916013512 1078057117 /nfs/dbraw/zinc/05/71/17/1078057117.db2.gz YTFYNHUUFJFLQZ-HOTGVXAUSA-N 1 2 403.618 0.549 20 0 HCADLO C[C@@H]1CCCC[C@H]1NC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000916013513 1078057176 /nfs/dbraw/zinc/05/71/76/1078057176.db2.gz YTFYNHUUFJFLQZ-HZPDHXFCSA-N 1 2 403.618 0.549 20 0 HCADLO C[C@H]1CCCC[C@H]1NC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000916013514 1078057183 /nfs/dbraw/zinc/05/71/83/1078057183.db2.gz YTFYNHUUFJFLQZ-JKSUJKDBSA-N 1 2 403.618 0.549 20 0 HCADLO C[N@H+]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 ZINC000916097148 1078062860 /nfs/dbraw/zinc/06/28/60/1078062860.db2.gz ABERPNOKHNTVKH-KRWDZBQOSA-N 1 2 411.524 0.880 20 0 HCADLO C[N@@H+]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 ZINC000916097148 1078062855 /nfs/dbraw/zinc/06/28/55/1078062855.db2.gz ABERPNOKHNTVKH-KRWDZBQOSA-N 1 2 411.524 0.880 20 0 HCADLO C[N@H+]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 ZINC000916097149 1078063011 /nfs/dbraw/zinc/06/30/11/1078063011.db2.gz ABERPNOKHNTVKH-QGZVFWFLSA-N 1 2 411.524 0.880 20 0 HCADLO C[N@@H+]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 ZINC000916097149 1078063004 /nfs/dbraw/zinc/06/30/04/1078063004.db2.gz ABERPNOKHNTVKH-QGZVFWFLSA-N 1 2 411.524 0.880 20 0 HCADLO NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C(=O)N3CCOCC3)CC1)CCC2 ZINC000916150639 1078070281 /nfs/dbraw/zinc/07/02/81/1078070281.db2.gz XFVRBYDVUASINQ-UHFFFAOYSA-N 1 2 420.535 0.845 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000916160609 1078069992 /nfs/dbraw/zinc/06/99/92/1078069992.db2.gz SAFVDCGTGRWLGO-UHFFFAOYSA-N 1 2 403.450 0.835 20 0 HCADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCO1 ZINC000916233796 1078075809 /nfs/dbraw/zinc/07/58/09/1078075809.db2.gz MPXVDNBINOSLQU-GOSISDBHSA-N 1 2 403.527 0.351 20 0 HCADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCO1 ZINC000916233796 1078075804 /nfs/dbraw/zinc/07/58/04/1078075804.db2.gz MPXVDNBINOSLQU-GOSISDBHSA-N 1 2 403.527 0.351 20 0 HCADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCO1 ZINC000916233797 1078075882 /nfs/dbraw/zinc/07/58/82/1078075882.db2.gz MPXVDNBINOSLQU-SFHVURJKSA-N 1 2 403.527 0.351 20 0 HCADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCO1 ZINC000916233797 1078075878 /nfs/dbraw/zinc/07/58/78/1078075878.db2.gz MPXVDNBINOSLQU-SFHVURJKSA-N 1 2 403.527 0.351 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000916394564 1078081065 /nfs/dbraw/zinc/08/10/65/1078081065.db2.gz ZVQVAEAJRFUVJD-UHFFFAOYSA-N 1 2 419.453 0.371 20 0 HCADLO O=C(NCc1ccc(-n2cncn2)nc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000916395286 1078080829 /nfs/dbraw/zinc/08/08/29/1078080829.db2.gz QTIUWHFIAUAOEX-GOSISDBHSA-N 1 2 403.512 0.669 20 0 HCADLO O=C(NCc1ccc(-n2cncn2)nc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000916395287 1078080736 /nfs/dbraw/zinc/08/07/36/1078080736.db2.gz QTIUWHFIAUAOEX-SFHVURJKSA-N 1 2 403.512 0.669 20 0 HCADLO C[C@@H](CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[NH+]1CCOCC1 ZINC000916439854 1078084361 /nfs/dbraw/zinc/08/43/61/1078084361.db2.gz UVTYTOFVYHBLJH-HNNXBMFYSA-N 1 2 421.523 0.183 20 0 HCADLO C[C@H](CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[NH+]1CCOCC1 ZINC000916439855 1078084213 /nfs/dbraw/zinc/08/42/13/1078084213.db2.gz UVTYTOFVYHBLJH-OAHLLOKOSA-N 1 2 421.523 0.183 20 0 HCADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916466266 1078086552 /nfs/dbraw/zinc/08/65/52/1078086552.db2.gz KCZXAPZUFFZOBN-HNNXBMFYSA-N 1 2 421.523 0.183 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916466267 1078086507 /nfs/dbraw/zinc/08/65/07/1078086507.db2.gz KCZXAPZUFFZOBN-OAHLLOKOSA-N 1 2 421.523 0.183 20 0 HCADLO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(I)ccc1O ZINC000916558146 1078093033 /nfs/dbraw/zinc/09/30/33/1078093033.db2.gz BPWIMNWJDMSCID-UHFFFAOYSA-N 1 2 417.247 0.843 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916623360 1078097568 /nfs/dbraw/zinc/09/75/68/1078097568.db2.gz QIWRFTUMQNNGCD-AWEZNQCLSA-N 1 2 402.480 0.748 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916623361 1078097450 /nfs/dbraw/zinc/09/74/50/1078097450.db2.gz QIWRFTUMQNNGCD-CQSZACIVSA-N 1 2 402.480 0.748 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000916685280 1078122567 /nfs/dbraw/zinc/12/25/67/1078122567.db2.gz XRVVDCYKYNDNIT-UHFFFAOYSA-N 1 2 405.426 0.693 20 0 HCADLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000916732241 1078136077 /nfs/dbraw/zinc/13/60/77/1078136077.db2.gz WNHIWWKIMYCFDJ-UHFFFAOYSA-N 1 2 412.490 0.716 20 0 HCADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000917000101 1078184545 /nfs/dbraw/zinc/18/45/45/1078184545.db2.gz PXYRYFIHGIUJOA-INIZCTEOSA-N 1 2 423.457 0.933 20 0 HCADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000917000105 1078184626 /nfs/dbraw/zinc/18/46/26/1078184626.db2.gz PXYRYFIHGIUJOA-MRXNPFEDSA-N 1 2 423.457 0.933 20 0 HCADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000917052550 1078190547 /nfs/dbraw/zinc/19/05/47/1078190547.db2.gz WECJBPPNBIIFPC-GOSISDBHSA-N 1 2 422.551 0.833 20 0 HCADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000917052550 1078190519 /nfs/dbraw/zinc/19/05/19/1078190519.db2.gz WECJBPPNBIIFPC-GOSISDBHSA-N 1 2 422.551 0.833 20 0 HCADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000917052551 1078191020 /nfs/dbraw/zinc/19/10/20/1078191020.db2.gz WECJBPPNBIIFPC-SFHVURJKSA-N 1 2 422.551 0.833 20 0 HCADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000917052551 1078191013 /nfs/dbraw/zinc/19/10/13/1078191013.db2.gz WECJBPPNBIIFPC-SFHVURJKSA-N 1 2 422.551 0.833 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)NC(=O)N[C@@H]1C ZINC000917067600 1078197672 /nfs/dbraw/zinc/19/76/72/1078197672.db2.gz MSNIOSWZYLMWNT-CHWSQXEVSA-N 1 2 402.517 0.299 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)NC(=O)N[C@@H]1C ZINC000917067600 1078197659 /nfs/dbraw/zinc/19/76/59/1078197659.db2.gz MSNIOSWZYLMWNT-CHWSQXEVSA-N 1 2 402.517 0.299 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)NC(=O)N[C@@H]1C ZINC000917067601 1078198072 /nfs/dbraw/zinc/19/80/72/1078198072.db2.gz MSNIOSWZYLMWNT-OLZOCXBDSA-N 1 2 402.517 0.299 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)NC(=O)N[C@@H]1C ZINC000917067601 1078198068 /nfs/dbraw/zinc/19/80/68/1078198068.db2.gz MSNIOSWZYLMWNT-OLZOCXBDSA-N 1 2 402.517 0.299 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)NC(=O)N[C@H]1C ZINC000917067602 1078197951 /nfs/dbraw/zinc/19/79/51/1078197951.db2.gz MSNIOSWZYLMWNT-QWHCGFSZSA-N 1 2 402.517 0.299 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)NC(=O)N[C@H]1C ZINC000917067602 1078197913 /nfs/dbraw/zinc/19/79/13/1078197913.db2.gz MSNIOSWZYLMWNT-QWHCGFSZSA-N 1 2 402.517 0.299 20 0 HCADLO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)NC(=O)N[C@H]1C ZINC000917067603 1078197550 /nfs/dbraw/zinc/19/75/50/1078197550.db2.gz MSNIOSWZYLMWNT-STQMWFEESA-N 1 2 402.517 0.299 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)NC(=O)N[C@H]1C ZINC000917067603 1078197532 /nfs/dbraw/zinc/19/75/32/1078197532.db2.gz MSNIOSWZYLMWNT-STQMWFEESA-N 1 2 402.517 0.299 20 0 HCADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000917068045 1078198886 /nfs/dbraw/zinc/19/88/86/1078198886.db2.gz LXPBPVVNONRVQX-DOTOQJQBSA-N 1 2 404.554 0.917 20 0 HCADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000917068045 1078198860 /nfs/dbraw/zinc/19/88/60/1078198860.db2.gz LXPBPVVNONRVQX-DOTOQJQBSA-N 1 2 404.554 0.917 20 0 HCADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000917068046 1078198694 /nfs/dbraw/zinc/19/86/94/1078198694.db2.gz LXPBPVVNONRVQX-NVXWUHKLSA-N 1 2 404.554 0.917 20 0 HCADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000917068046 1078198685 /nfs/dbraw/zinc/19/86/85/1078198685.db2.gz LXPBPVVNONRVQX-NVXWUHKLSA-N 1 2 404.554 0.917 20 0 HCADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000917068047 1078198359 /nfs/dbraw/zinc/19/83/59/1078198359.db2.gz LXPBPVVNONRVQX-RDJZCZTQSA-N 1 2 404.554 0.917 20 0 HCADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000917068047 1078198333 /nfs/dbraw/zinc/19/83/33/1078198333.db2.gz LXPBPVVNONRVQX-RDJZCZTQSA-N 1 2 404.554 0.917 20 0 HCADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000917068048 1078198809 /nfs/dbraw/zinc/19/88/09/1078198809.db2.gz LXPBPVVNONRVQX-WBVHZDCISA-N 1 2 404.554 0.917 20 0 HCADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000917068048 1078198797 /nfs/dbraw/zinc/19/87/97/1078198797.db2.gz LXPBPVVNONRVQX-WBVHZDCISA-N 1 2 404.554 0.917 20 0 HCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000917082430 1078202422 /nfs/dbraw/zinc/20/24/22/1078202422.db2.gz SXCXKHDDZUSOFD-UHFFFAOYSA-N 1 2 403.527 0.935 20 0 HCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000917082430 1078202396 /nfs/dbraw/zinc/20/23/96/1078202396.db2.gz SXCXKHDDZUSOFD-UHFFFAOYSA-N 1 2 403.527 0.935 20 0 HCADLO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000917101846 1078212378 /nfs/dbraw/zinc/21/23/78/1078212378.db2.gz GKXMRIDIXGERJT-INIZCTEOSA-N 1 2 412.512 0.885 20 0 HCADLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000917101846 1078212362 /nfs/dbraw/zinc/21/23/62/1078212362.db2.gz GKXMRIDIXGERJT-INIZCTEOSA-N 1 2 412.512 0.885 20 0 HCADLO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000917101847 1078212585 /nfs/dbraw/zinc/21/25/85/1078212585.db2.gz GKXMRIDIXGERJT-MRXNPFEDSA-N 1 2 412.512 0.885 20 0 HCADLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000917101847 1078212568 /nfs/dbraw/zinc/21/25/68/1078212568.db2.gz GKXMRIDIXGERJT-MRXNPFEDSA-N 1 2 412.512 0.885 20 0 HCADLO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000917106083 1078214961 /nfs/dbraw/zinc/21/49/61/1078214961.db2.gz PNWBZYDUPBKMNH-DHDCSXOGSA-N 1 2 422.551 0.719 20 0 HCADLO CCCC[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000917106083 1078214948 /nfs/dbraw/zinc/21/49/48/1078214948.db2.gz PNWBZYDUPBKMNH-DHDCSXOGSA-N 1 2 422.551 0.719 20 0 HCADLO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000917106084 1078215034 /nfs/dbraw/zinc/21/50/34/1078215034.db2.gz PNWBZYDUPBKMNH-OQLLNIDSSA-N 1 2 422.551 0.719 20 0 HCADLO CCCC[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000917106084 1078215016 /nfs/dbraw/zinc/21/50/16/1078215016.db2.gz PNWBZYDUPBKMNH-OQLLNIDSSA-N 1 2 422.551 0.719 20 0 HCADLO NC(=O)C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CCCC1 ZINC000917116173 1078221275 /nfs/dbraw/zinc/22/12/75/1078221275.db2.gz MCRIZMNOFXBXED-UHFFFAOYSA-N 1 2 421.523 0.826 20 0 HCADLO NC(=O)C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CCCC1 ZINC000917116173 1078221262 /nfs/dbraw/zinc/22/12/62/1078221262.db2.gz MCRIZMNOFXBXED-UHFFFAOYSA-N 1 2 421.523 0.826 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(CC(N)=O)CC3)C2=O)cc1 ZINC000917129889 1078224459 /nfs/dbraw/zinc/22/44/59/1078224459.db2.gz GAZQJCQUOXESPF-FQEVSTJZSA-N 1 2 417.466 0.081 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(CC(N)=O)CC3)C2=O)cc1 ZINC000917129890 1078224487 /nfs/dbraw/zinc/22/44/87/1078224487.db2.gz GAZQJCQUOXESPF-HXUWFJFHSA-N 1 2 417.466 0.081 20 0 HCADLO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(CC(N)=O)CC2)C1=O ZINC000917130150 1078224498 /nfs/dbraw/zinc/22/44/98/1078224498.db2.gz PPCGWOAAWSRPQN-NRFANRHFSA-N 1 2 415.494 0.548 20 0 HCADLO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(CC(N)=O)CC2)C1=O ZINC000917130151 1078224286 /nfs/dbraw/zinc/22/42/86/1078224286.db2.gz PPCGWOAAWSRPQN-OAQYLSRUSA-N 1 2 415.494 0.548 20 0 HCADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(CC(N)=O)CC2)C1=O ZINC000917130531 1078224469 /nfs/dbraw/zinc/22/44/69/1078224469.db2.gz RGTQHQXWXOSVSV-FQEVSTJZSA-N 1 2 401.467 0.462 20 0 HCADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(CC(N)=O)CC2)C1=O ZINC000917130533 1078224428 /nfs/dbraw/zinc/22/44/28/1078224428.db2.gz RGTQHQXWXOSVSV-HXUWFJFHSA-N 1 2 401.467 0.462 20 0 HCADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000917158729 1078232099 /nfs/dbraw/zinc/23/20/99/1078232099.db2.gz QCRHMHQBXUUPSS-CYBMUJFWSA-N 1 2 408.480 0.591 20 0 HCADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000917158729 1078232087 /nfs/dbraw/zinc/23/20/87/1078232087.db2.gz QCRHMHQBXUUPSS-CYBMUJFWSA-N 1 2 408.480 0.591 20 0 HCADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000917158730 1078232052 /nfs/dbraw/zinc/23/20/52/1078232052.db2.gz QCRHMHQBXUUPSS-ZDUSSCGKSA-N 1 2 408.480 0.591 20 0 HCADLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000917158730 1078232046 /nfs/dbraw/zinc/23/20/46/1078232046.db2.gz QCRHMHQBXUUPSS-ZDUSSCGKSA-N 1 2 408.480 0.591 20 0 HCADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 ZINC000917158862 1078232392 /nfs/dbraw/zinc/23/23/92/1078232392.db2.gz YZPIVMFGYPVCED-FOIQADDNSA-N 1 2 402.451 0.456 20 0 HCADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 ZINC000917158862 1078232383 /nfs/dbraw/zinc/23/23/83/1078232383.db2.gz YZPIVMFGYPVCED-FOIQADDNSA-N 1 2 402.451 0.456 20 0 HCADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 ZINC000917158863 1078232035 /nfs/dbraw/zinc/23/20/35/1078232035.db2.gz YZPIVMFGYPVCED-MGPUTAFESA-N 1 2 402.451 0.456 20 0 HCADLO COC(=O)[C@H]1CC[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 ZINC000917158863 1078232028 /nfs/dbraw/zinc/23/20/28/1078232028.db2.gz YZPIVMFGYPVCED-MGPUTAFESA-N 1 2 402.451 0.456 20 0 HCADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1 ZINC000917158864 1078232208 /nfs/dbraw/zinc/23/22/08/1078232208.db2.gz YZPIVMFGYPVCED-QRWLVFNGSA-N 1 2 402.451 0.456 20 0 HCADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1 ZINC000917158864 1078232201 /nfs/dbraw/zinc/23/22/01/1078232201.db2.gz YZPIVMFGYPVCED-QRWLVFNGSA-N 1 2 402.451 0.456 20 0 HCADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1 ZINC000917158865 1078232286 /nfs/dbraw/zinc/23/22/86/1078232286.db2.gz YZPIVMFGYPVCED-YWZLYKJASA-N 1 2 402.451 0.456 20 0 HCADLO COC(=O)[C@H]1CC[N@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1 ZINC000917158865 1078232274 /nfs/dbraw/zinc/23/22/74/1078232274.db2.gz YZPIVMFGYPVCED-YWZLYKJASA-N 1 2 402.451 0.456 20 0 HCADLO CCOC(=O)C1=C(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)NC(=O)N[C@H]1C ZINC000917175067 1078239711 /nfs/dbraw/zinc/23/97/11/1078239711.db2.gz BEZUKFFFGRNGEZ-NWDGAFQWSA-N 1 2 410.496 0.845 20 0 HCADLO CCOC(=O)C1=C(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)NC(=O)N[C@H]1C ZINC000917175067 1078239705 /nfs/dbraw/zinc/23/97/05/1078239705.db2.gz BEZUKFFFGRNGEZ-NWDGAFQWSA-N 1 2 410.496 0.845 20 0 HCADLO COCCOC(=O)c1sc2[nH]c(CC(=O)N3CC[NH+](C)CC3)nc(=O)c2c1C ZINC000917260813 1078257868 /nfs/dbraw/zinc/25/78/68/1078257868.db2.gz PICKSCYPRKWXNB-UHFFFAOYSA-N 1 2 408.480 0.413 20 0 HCADLO S=C(NCCN1CCOCC1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000917356122 1078272848 /nfs/dbraw/zinc/27/28/48/1078272848.db2.gz RNLVUJHEEQCNQV-UHFFFAOYSA-N 1 2 407.584 0.813 20 0 HCADLO O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CC[NH+](CCO)CC1 ZINC000917359524 1078273165 /nfs/dbraw/zinc/27/31/65/1078273165.db2.gz BFXJXRNDCPGXLA-UHFFFAOYSA-N 1 2 401.916 0.875 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NC3CC[NH+](C(C)C)CC3)n2c(NCC)[nH+]1 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/nfs/dbraw/zinc/27/73/62/1078277362.db2.gz OAOXCCRSFHPSKF-UHFFFAOYSA-N 1 2 421.575 0.888 20 0 HCADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000917411152 1078284596 /nfs/dbraw/zinc/28/45/96/1078284596.db2.gz NFXJGZIZBRBOEU-UHFFFAOYSA-N 1 2 411.547 0.162 20 0 HCADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000917411152 1078284588 /nfs/dbraw/zinc/28/45/88/1078284588.db2.gz NFXJGZIZBRBOEU-UHFFFAOYSA-N 1 2 411.547 0.162 20 0 HCADLO CN(CCCNC(=O)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC000917411265 1078284482 /nfs/dbraw/zinc/28/44/82/1078284482.db2.gz ASUXOWDULOUDAX-UHFFFAOYSA-N 1 2 406.549 0.327 20 0 HCADLO CN(CCCNC(=O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC000917411265 1078284477 /nfs/dbraw/zinc/28/44/77/1078284477.db2.gz ASUXOWDULOUDAX-UHFFFAOYSA-N 1 2 406.549 0.327 20 0 HCADLO COc1ccc(CN2C(=O)C(=O)N(C[NH+]3CCC(C(=O)N(C)C)CC3)C2=O)cc1 ZINC000917429123 1078289459 /nfs/dbraw/zinc/28/94/59/1078289459.db2.gz 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AYUPWKBKWIKGOG-JTQLQIEISA-N 1 2 424.255 0.873 20 0 HCADLO CN1C(=O)C(=O)N(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000918178275 1078369975 /nfs/dbraw/zinc/36/99/75/1078369975.db2.gz AYUPWKBKWIKGOG-SNVBAGLBSA-N 1 2 424.255 0.873 20 0 HCADLO CN1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000918178275 1078369970 /nfs/dbraw/zinc/36/99/70/1078369970.db2.gz AYUPWKBKWIKGOG-SNVBAGLBSA-N 1 2 424.255 0.873 20 0 HCADLO CN1C(=O)C(=O)N(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1=O ZINC000918178778 1078370094 /nfs/dbraw/zinc/37/00/94/1078370094.db2.gz HZHHWIIFVPZZRJ-UHFFFAOYSA-N 1 2 424.255 0.873 20 0 HCADLO CN(CCCNC(=O)C[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000918188012 1078370790 /nfs/dbraw/zinc/37/07/90/1078370790.db2.gz IUFCWFGTQFATGJ-AWEZNQCLSA-N 1 2 406.549 0.373 20 0 HCADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000918188012 1078370785 /nfs/dbraw/zinc/37/07/85/1078370785.db2.gz IUFCWFGTQFATGJ-AWEZNQCLSA-N 1 2 406.549 0.373 20 0 HCADLO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(C(N)=O)c1 ZINC000918189026 1078371130 /nfs/dbraw/zinc/37/11/30/1078371130.db2.gz NHKVNWQWVPOFIL-UHFFFAOYSA-N 1 2 404.492 0.224 20 0 HCADLO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(C(N)=O)c1 ZINC000918189026 1078371126 /nfs/dbraw/zinc/37/11/26/1078371126.db2.gz NHKVNWQWVPOFIL-UHFFFAOYSA-N 1 2 404.492 0.224 20 0 HCADLO C[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1cccc(C(N)=O)c1 ZINC000918189271 1078371102 /nfs/dbraw/zinc/37/11/02/1078371102.db2.gz QVPMPDGEHWKCLG-UHFFFAOYSA-N 1 2 402.476 0.454 20 0 HCADLO C[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1cccc(C(N)=O)c1 ZINC000918189271 1078371097 /nfs/dbraw/zinc/37/10/97/1078371097.db2.gz QVPMPDGEHWKCLG-UHFFFAOYSA-N 1 2 402.476 0.454 20 0 HCADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](C)Cc2cccc(C(N)=O)c2)CC1 ZINC000918189465 1078371167 /nfs/dbraw/zinc/37/11/67/1078371167.db2.gz IPARVEYFJCNKRT-UHFFFAOYSA-N 1 2 422.493 0.243 20 0 HCADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](C)Cc2cccc(C(N)=O)c2)CC1 ZINC000918189465 1078371162 /nfs/dbraw/zinc/37/11/62/1078371162.db2.gz IPARVEYFJCNKRT-UHFFFAOYSA-N 1 2 422.493 0.243 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918190051 1078371018 /nfs/dbraw/zinc/37/10/18/1078371018.db2.gz ZYZMLGIGJGEWHH-CYBMUJFWSA-N 1 2 416.503 0.843 20 0 HCADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918190051 1078371014 /nfs/dbraw/zinc/37/10/14/1078371014.db2.gz ZYZMLGIGJGEWHH-CYBMUJFWSA-N 1 2 416.503 0.843 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918190052 1078371061 /nfs/dbraw/zinc/37/10/61/1078371061.db2.gz ZYZMLGIGJGEWHH-ZDUSSCGKSA-N 1 2 416.503 0.843 20 0 HCADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918190052 1078371055 /nfs/dbraw/zinc/37/10/55/1078371055.db2.gz ZYZMLGIGJGEWHH-ZDUSSCGKSA-N 1 2 416.503 0.843 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000918234159 1078373821 /nfs/dbraw/zinc/37/38/21/1078373821.db2.gz ATLATQBEVPKGRT-UHFFFAOYSA-N 1 2 419.442 0.112 20 0 HCADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000918238749 1078374503 /nfs/dbraw/zinc/37/45/03/1078374503.db2.gz NTJUYVKFUAIQHO-UHFFFAOYSA-N 1 2 405.480 0.229 20 0 HCADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000918241765 1078379099 /nfs/dbraw/zinc/37/90/99/1078379099.db2.gz MORCHKAIGWJBKD-GOSISDBHSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000918241765 1078379096 /nfs/dbraw/zinc/37/90/96/1078379096.db2.gz MORCHKAIGWJBKD-GOSISDBHSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000918241766 1078379159 /nfs/dbraw/zinc/37/91/59/1078379159.db2.gz MORCHKAIGWJBKD-SFHVURJKSA-N 1 2 421.461 0.618 20 0 HCADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000918241766 1078379155 /nfs/dbraw/zinc/37/91/55/1078379155.db2.gz MORCHKAIGWJBKD-SFHVURJKSA-N 1 2 421.461 0.618 20 0 HCADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000918243850 1078375517 /nfs/dbraw/zinc/37/55/17/1078375517.db2.gz DCPMETAPPWDYEQ-UHFFFAOYSA-N 1 2 417.491 0.449 20 0 HCADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000918247168 1078375914 /nfs/dbraw/zinc/37/59/14/1078375914.db2.gz YZLNMLOQKVCFLE-UHFFFAOYSA-N 1 2 421.461 0.749 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000918263345 1078378677 /nfs/dbraw/zinc/37/86/77/1078378677.db2.gz KPFCYVIACDWJEE-UHFFFAOYSA-N 1 2 420.477 0.539 20 0 HCADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918268927 1078383541 /nfs/dbraw/zinc/38/35/41/1078383541.db2.gz DUKALALBXIJZOA-CYBMUJFWSA-N 1 2 405.480 0.227 20 0 HCADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000918268928 1078383471 /nfs/dbraw/zinc/38/34/71/1078383471.db2.gz DUKALALBXIJZOA-ZDUSSCGKSA-N 1 2 405.480 0.227 20 0 HCADLO COc1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OCC(N)=O ZINC000918273897 1078380483 /nfs/dbraw/zinc/38/04/83/1078380483.db2.gz FCJYPYWVCAIBNE-INIZCTEOSA-N 1 2 417.466 0.925 20 0 HCADLO COc1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OCC(N)=O ZINC000918273899 1078380493 /nfs/dbraw/zinc/38/04/93/1078380493.db2.gz FCJYPYWVCAIBNE-MRXNPFEDSA-N 1 2 417.466 0.925 20 0 HCADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000918274428 1078380434 /nfs/dbraw/zinc/38/04/34/1078380434.db2.gz HSGGBWPKMHMUGP-KRWDZBQOSA-N 1 2 412.494 0.989 20 0 HCADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000918274430 1078380543 /nfs/dbraw/zinc/38/05/43/1078380543.db2.gz HSGGBWPKMHMUGP-QGZVFWFLSA-N 1 2 412.494 0.989 20 0 HCADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000918274508 1078380503 /nfs/dbraw/zinc/38/05/03/1078380503.db2.gz JCIMKUSDXREOJB-HNNXBMFYSA-N 1 2 413.482 0.384 20 0 HCADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000918274529 1078380525 /nfs/dbraw/zinc/38/05/25/1078380525.db2.gz JCIMKUSDXREOJB-OAHLLOKOSA-N 1 2 413.482 0.384 20 0 HCADLO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000918274807 1078380465 /nfs/dbraw/zinc/38/04/65/1078380465.db2.gz LGRIQQPJDNGHAI-UHFFFAOYSA-N 1 2 421.501 0.906 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc2O1 ZINC000918276454 1078380640 /nfs/dbraw/zinc/38/06/40/1078380640.db2.gz SSVMERALFWAROD-DLBZAZTESA-N 1 2 413.478 0.954 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc2O1 ZINC000918276455 1078380617 /nfs/dbraw/zinc/38/06/17/1078380617.db2.gz SSVMERALFWAROD-IAGOWNOFSA-N 1 2 413.478 0.954 20 0 HCADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc2O1 ZINC000918276456 1078380635 /nfs/dbraw/zinc/38/06/35/1078380635.db2.gz SSVMERALFWAROD-IRXDYDNUSA-N 1 2 413.478 0.954 20 0 HCADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc2O1 ZINC000918276457 1078380656 /nfs/dbraw/zinc/38/06/56/1078380656.db2.gz SSVMERALFWAROD-SJORKVTESA-N 1 2 413.478 0.954 20 0 HCADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000918276774 1078380628 /nfs/dbraw/zinc/38/06/28/1078380628.db2.gz WIWCBAPSAZAYJO-HNNXBMFYSA-N 1 2 414.466 0.268 20 0 HCADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000918276775 1078380670 /nfs/dbraw/zinc/38/06/70/1078380670.db2.gz WIWCBAPSAZAYJO-OAHLLOKOSA-N 1 2 414.466 0.268 20 0 HCADLO C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CC1 ZINC000918289472 1078382392 /nfs/dbraw/zinc/38/23/92/1078382392.db2.gz MHKRJQJGTXWDBX-UHFFFAOYSA-N 1 2 421.523 0.650 20 0 HCADLO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000918290193 1078382336 /nfs/dbraw/zinc/38/23/36/1078382336.db2.gz ROCAQDWZBOIYHS-UHFFFAOYSA-N 1 2 408.462 0.305 20 0 HCADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CC1 ZINC000918291600 1078382407 /nfs/dbraw/zinc/38/24/07/1078382407.db2.gz ZIEYWPUIIPLRTO-UHFFFAOYSA-N 1 2 421.523 0.650 20 0 HCADLO C[N@H+]1CCC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 ZINC000918395059 1078400508 /nfs/dbraw/zinc/40/05/08/1078400508.db2.gz LFUIOXHYDIZFGQ-DLBZAZTESA-N 1 2 411.524 0.927 20 0 HCADLO C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 ZINC000918395059 1078400506 /nfs/dbraw/zinc/40/05/06/1078400506.db2.gz LFUIOXHYDIZFGQ-DLBZAZTESA-N 1 2 411.524 0.927 20 0 HCADLO C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 ZINC000918395060 1078400677 /nfs/dbraw/zinc/40/06/77/1078400677.db2.gz LFUIOXHYDIZFGQ-IAGOWNOFSA-N 1 2 411.524 0.927 20 0 HCADLO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 ZINC000918395060 1078400671 /nfs/dbraw/zinc/40/06/71/1078400671.db2.gz LFUIOXHYDIZFGQ-IAGOWNOFSA-N 1 2 411.524 0.927 20 0 HCADLO C[N@H+]1CCC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 ZINC000918395061 1078400824 /nfs/dbraw/zinc/40/08/24/1078400824.db2.gz LFUIOXHYDIZFGQ-IRXDYDNUSA-N 1 2 411.524 0.927 20 0 HCADLO C[N@@H+]1CCC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 ZINC000918395061 1078400821 /nfs/dbraw/zinc/40/08/21/1078400821.db2.gz LFUIOXHYDIZFGQ-IRXDYDNUSA-N 1 2 411.524 0.927 20 0 HCADLO C[N@H+]1CCC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 ZINC000918395062 1078400743 /nfs/dbraw/zinc/40/07/43/1078400743.db2.gz LFUIOXHYDIZFGQ-SJORKVTESA-N 1 2 411.524 0.927 20 0 HCADLO C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 ZINC000918395062 1078400736 /nfs/dbraw/zinc/40/07/36/1078400736.db2.gz LFUIOXHYDIZFGQ-SJORKVTESA-N 1 2 411.524 0.927 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)N[C@@H]3CCC[N@@H+](CC)C3)n2c(NCC)[nH+]1 ZINC000918396719 1078401152 /nfs/dbraw/zinc/40/11/52/1078401152.db2.gz WMUDEYSNLHKRJJ-GFCCVEGCSA-N 1 2 407.548 0.497 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)N[C@@H]3CCC[N@H+](CC)C3)n2c(NCC)[nH+]1 ZINC000918396719 1078401151 /nfs/dbraw/zinc/40/11/51/1078401151.db2.gz WMUDEYSNLHKRJJ-GFCCVEGCSA-N 1 2 407.548 0.497 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)N[C@H]3CCC[N@@H+](CC)C3)n2c(NCC)[nH+]1 ZINC000918396733 1078401179 /nfs/dbraw/zinc/40/11/79/1078401179.db2.gz WMUDEYSNLHKRJJ-LBPRGKRZSA-N 1 2 407.548 0.497 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)N[C@H]3CCC[N@H+](CC)C3)n2c(NCC)[nH+]1 ZINC000918396733 1078401178 /nfs/dbraw/zinc/40/11/78/1078401178.db2.gz WMUDEYSNLHKRJJ-LBPRGKRZSA-N 1 2 407.548 0.497 20 0 HCADLO CN(C)c1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000918401694 1078406394 /nfs/dbraw/zinc/40/63/94/1078406394.db2.gz CGGCKUWWHKGRPY-UHFFFAOYSA-N 1 2 408.466 0.717 20 0 HCADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000918407561 1078409148 /nfs/dbraw/zinc/40/91/48/1078409148.db2.gz KWGWFBLDKIWBBQ-UHFFFAOYSA-N 1 2 416.478 0.378 20 0 HCADLO CN(C)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000918413114 1078412793 /nfs/dbraw/zinc/41/27/93/1078412793.db2.gz MYKJSTNAWUNISP-UHFFFAOYSA-N 1 2 401.511 0.848 20 0 HCADLO CN(C)c1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000918413114 1078412789 /nfs/dbraw/zinc/41/27/89/1078412789.db2.gz MYKJSTNAWUNISP-UHFFFAOYSA-N 1 2 401.511 0.848 20 0 HCADLO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000918431951 1078415476 /nfs/dbraw/zinc/41/54/76/1078415476.db2.gz QSOZGIKXFPGZGM-UHFFFAOYSA-N 1 2 421.479 0.820 20 0 HCADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)OC)CC3)cc2)CC1 ZINC000918453876 1078428881 /nfs/dbraw/zinc/42/88/81/1078428881.db2.gz WCEMUVHGGUBLHD-UHFFFAOYSA-N 1 2 417.510 0.673 20 0 HCADLO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000918472224 1078430604 /nfs/dbraw/zinc/43/06/04/1078430604.db2.gz BCKUBKUIMGPOFF-UHFFFAOYSA-N 1 2 409.468 0.600 20 0 HCADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000918473952 1078438801 /nfs/dbraw/zinc/43/88/01/1078438801.db2.gz PXCQKDZGTZUOJU-UHFFFAOYSA-N 1 2 419.507 0.619 20 0 HCADLO O=C(NCCn1cc[nH+]c1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000918555076 1078464818 /nfs/dbraw/zinc/46/48/18/1078464818.db2.gz GBXOCWQKCMYLFF-AWEZNQCLSA-N 1 2 404.448 0.637 20 0 HCADLO O=C(NCCn1cc[nH+]c1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000918555077 1078464917 /nfs/dbraw/zinc/46/49/17/1078464917.db2.gz GBXOCWQKCMYLFF-CQSZACIVSA-N 1 2 404.448 0.637 20 0 HCADLO C[C@H]1NC(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)=NN(c2ccccc2)C1=O ZINC000918566670 1078467859 /nfs/dbraw/zinc/46/78/59/1078467859.db2.gz XVXOWPSMQRNVQY-FOIQADDNSA-N 1 2 417.535 0.649 20 0 HCADLO C[C@@H]1NC(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)=NN(c2ccccc2)C1=O ZINC000918566671 1078468169 /nfs/dbraw/zinc/46/81/69/1078468169.db2.gz XVXOWPSMQRNVQY-MGPUTAFESA-N 1 2 417.535 0.649 20 0 HCADLO C[C@H]1NC(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)=NN(c2ccccc2)C1=O ZINC000918566672 1078468140 /nfs/dbraw/zinc/46/81/40/1078468140.db2.gz XVXOWPSMQRNVQY-QRWLVFNGSA-N 1 2 417.535 0.649 20 0 HCADLO C[C@@H]1NC(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)=NN(c2ccccc2)C1=O ZINC000918566673 1078468184 /nfs/dbraw/zinc/46/81/84/1078468184.db2.gz XVXOWPSMQRNVQY-YWZLYKJASA-N 1 2 417.535 0.649 20 0 HCADLO Cn1cc(/C=C\C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000918571820 1078474438 /nfs/dbraw/zinc/47/44/38/1078474438.db2.gz OCJUOCYVIVIHSU-WAYWQWQTSA-N 1 2 404.496 0.097 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC1(Cl)Cl ZINC000918571877 1078475033 /nfs/dbraw/zinc/47/50/33/1078475033.db2.gz QKFWXFZCVOFVNE-GFCCVEGCSA-N 1 2 407.323 0.843 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(Cl)Cl ZINC000918571878 1078475011 /nfs/dbraw/zinc/47/50/11/1078475011.db2.gz QKFWXFZCVOFVNE-LBPRGKRZSA-N 1 2 407.323 0.843 20 0 HCADLO O=C(/C=C\c1cccnc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000918572414 1078474951 /nfs/dbraw/zinc/47/49/51/1078474951.db2.gz ZMOKBYWPKLXMKA-SREVYHEPSA-N 1 2 401.492 0.758 20 0 HCADLO O=C(/C=C/c1cccnc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000918572415 1078475019 /nfs/dbraw/zinc/47/50/19/1078475019.db2.gz ZMOKBYWPKLXMKA-VOTSOKGWSA-N 1 2 401.492 0.758 20 0 HCADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000918597424 1078476892 /nfs/dbraw/zinc/47/68/92/1078476892.db2.gz CNIOMRGSUIPTEL-UHFFFAOYSA-N 1 2 416.500 0.600 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CSCCS1 ZINC000918611445 1078491833 /nfs/dbraw/zinc/49/18/33/1078491833.db2.gz YOZZYFOVIKAJRI-AWEZNQCLSA-N 1 2 416.594 0.498 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CSCCS1 ZINC000918611450 1078491519 /nfs/dbraw/zinc/49/15/19/1078491519.db2.gz YOZZYFOVIKAJRI-CQSZACIVSA-N 1 2 416.594 0.498 20 0 HCADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000918623433 1078505843 /nfs/dbraw/zinc/50/58/43/1078505843.db2.gz PDVFEEYZTVKKKS-UHFFFAOYSA-N 1 2 421.505 0.893 20 0 HCADLO C[C@@H]1NC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)=NN(c2ccccc2)C1=O ZINC000918623733 1078505951 /nfs/dbraw/zinc/50/59/51/1078505951.db2.gz VNOXQZSOOHEOFG-INIZCTEOSA-N 1 2 422.493 0.053 20 0 HCADLO C[C@H]1NC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)=NN(c2ccccc2)C1=O ZINC000918623734 1078506066 /nfs/dbraw/zinc/50/60/66/1078506066.db2.gz VNOXQZSOOHEOFG-MRXNPFEDSA-N 1 2 422.493 0.053 20 0 HCADLO Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000918623743 1078506098 /nfs/dbraw/zinc/50/60/98/1078506098.db2.gz WIVCEFNZBTZOAO-MNDPQUGUSA-N 1 2 419.493 0.708 20 0 HCADLO CCOC1CC[NH+](CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000918739139 1078561378 /nfs/dbraw/zinc/56/13/78/1078561378.db2.gz UKWKGPNNAKQYEI-FQEVSTJZSA-N 1 2 404.467 0.994 20 0 HCADLO CCOC1CC[NH+](CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000918739140 1078561429 /nfs/dbraw/zinc/56/14/29/1078561429.db2.gz UKWKGPNNAKQYEI-HXUWFJFHSA-N 1 2 404.467 0.994 20 0 HCADLO O=C1OCc2c1cccc2S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000918743494 1078563345 /nfs/dbraw/zinc/56/33/45/1078563345.db2.gz KZJHWEKSFSGKIA-UHFFFAOYSA-N 1 2 417.491 0.638 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2cccc3c2COC3=O)CC1 ZINC000918744691 1078563248 /nfs/dbraw/zinc/56/32/48/1078563248.db2.gz YTIBONJKBRJZJG-UHFFFAOYSA-N 1 2 414.447 0.545 20 0 HCADLO CC1(C)NC(=O)N(CC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000918796217 1078578568 /nfs/dbraw/zinc/57/85/68/1078578568.db2.gz YFKFHWLLENQMCL-UHFFFAOYSA-N 1 2 408.480 0.266 20 0 HCADLO O=C(COC(=O)C1=NNC(=O)CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000918796639 1078579064 /nfs/dbraw/zinc/57/90/64/1078579064.db2.gz DATMZZHMFYEJRK-UHFFFAOYSA-N 1 2 400.435 0.075 20 0 HCADLO CC(=O)N[C@H](C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(C)C ZINC000918823628 1078586937 /nfs/dbraw/zinc/58/69/37/1078586937.db2.gz KCYFEDBPACJPCJ-NRFANRHFSA-N 1 2 417.506 0.970 20 0 HCADLO CC(=O)N[C@@H](C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(C)C ZINC000918823629 1078587114 /nfs/dbraw/zinc/58/71/14/1078587114.db2.gz KCYFEDBPACJPCJ-OAQYLSRUSA-N 1 2 417.506 0.970 20 0 HCADLO CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000918825221 1078601022 /nfs/dbraw/zinc/60/10/22/1078601022.db2.gz RZFFNPJWULUINX-LJQANCHMSA-N 1 2 422.507 0.656 20 0 HCADLO CC(C)(C)C(=O)NCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000918890700 1078634260 /nfs/dbraw/zinc/63/42/60/1078634260.db2.gz SOTLLSYMFKCGHB-UHFFFAOYSA-N 1 2 417.506 0.971 20 0 HCADLO CC(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000918893461 1078635537 /nfs/dbraw/zinc/63/55/37/1078635537.db2.gz JWARVTJLMAGUKS-IBGZPJMESA-N 1 2 415.490 0.820 20 0 HCADLO CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000918988265 1078698380 /nfs/dbraw/zinc/69/83/80/1078698380.db2.gz GJFFLTOLGXHSOU-HNNXBMFYSA-N 1 2 415.537 0.360 20 0 HCADLO O=C(Cn1ccccc1=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000918993121 1078689768 /nfs/dbraw/zinc/68/97/68/1078689768.db2.gz SEXYMUBVPJBFNV-UHFFFAOYSA-N 1 2 411.458 0.671 20 0 HCADLO CN1CC(=O)N(CCCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000919006466 1078696353 /nfs/dbraw/zinc/69/63/53/1078696353.db2.gz GDGZXTGNRSCYKP-UHFFFAOYSA-N 1 2 422.507 0.610 20 0 HCADLO O=C(C[C@@H]1CCS(=O)(=O)C1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000919009801 1078701744 /nfs/dbraw/zinc/70/17/44/1078701744.db2.gz KIIADZFYMPOCDS-AWEZNQCLSA-N 1 2 400.522 0.760 20 0 HCADLO O=C(C[C@H]1CCS(=O)(=O)C1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000919009802 1078701675 /nfs/dbraw/zinc/70/16/75/1078701675.db2.gz KIIADZFYMPOCDS-CQSZACIVSA-N 1 2 400.522 0.760 20 0 HCADLO O=C(COC(=O)[C@H]1CCS(=O)(=O)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919015316 1078703600 /nfs/dbraw/zinc/70/36/00/1078703600.db2.gz IJNZWZBHDAXLET-KRWDZBQOSA-N 1 2 422.503 0.244 20 0 HCADLO O=C(COC(=O)[C@@H]1CCS(=O)(=O)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919015317 1078703477 /nfs/dbraw/zinc/70/34/77/1078703477.db2.gz IJNZWZBHDAXLET-QGZVFWFLSA-N 1 2 422.503 0.244 20 0 HCADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000919015900 1078704090 /nfs/dbraw/zinc/70/40/90/1078704090.db2.gz MPUIWJNAMJUJJR-HNNXBMFYSA-N 1 2 424.523 0.535 20 0 HCADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000919015901 1078703996 /nfs/dbraw/zinc/70/39/96/1078703996.db2.gz MPUIWJNAMJUJJR-OAHLLOKOSA-N 1 2 424.523 0.535 20 0 HCADLO Cc1cc(N2CCN(C(=O)COC(=O)CN3CCCC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000919037301 1078713113 /nfs/dbraw/zinc/71/31/13/1078713113.db2.gz AMGGQGUJZLDCHD-UHFFFAOYSA-N 1 2 403.483 0.723 20 0 HCADLO O=C(CN1CCCC1=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919037681 1078713304 /nfs/dbraw/zinc/71/33/04/1078713304.db2.gz LZLUWHXWUUAQCB-UHFFFAOYSA-N 1 2 401.463 0.431 20 0 HCADLO COCCN1C[C@@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1=O ZINC000919073113 1078724622 /nfs/dbraw/zinc/72/46/22/1078724622.db2.gz CVLFYONMTCYNEF-INIZCTEOSA-N 1 2 409.508 0.430 20 0 HCADLO COCCN1C[C@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1=O ZINC000919073114 1078724608 /nfs/dbraw/zinc/72/46/08/1078724608.db2.gz CVLFYONMTCYNEF-MRXNPFEDSA-N 1 2 409.508 0.430 20 0 HCADLO CCC(=O)N[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919079070 1078728603 /nfs/dbraw/zinc/72/86/03/1078728603.db2.gz USJIBACENWDRED-HNNXBMFYSA-N 1 2 403.479 0.724 20 0 HCADLO CCC(=O)N[C@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919079071 1078728462 /nfs/dbraw/zinc/72/84/62/1078728462.db2.gz USJIBACENWDRED-OAHLLOKOSA-N 1 2 403.479 0.724 20 0 HCADLO CCN1C[C@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1=O ZINC000919082367 1078729518 /nfs/dbraw/zinc/72/95/18/1078729518.db2.gz CKZYNFVHNUOIGH-GOSISDBHSA-N 1 2 415.490 0.677 20 0 HCADLO CCN1C[C@@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1=O ZINC000919082368 1078729573 /nfs/dbraw/zinc/72/95/73/1078729573.db2.gz CKZYNFVHNUOIGH-SFHVURJKSA-N 1 2 415.490 0.677 20 0 HCADLO CN1C[C@@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1=O ZINC000919082492 1078729434 /nfs/dbraw/zinc/72/94/34/1078729434.db2.gz CXLLDAYOBNJBBM-KRWDZBQOSA-N 1 2 401.463 0.287 20 0 HCADLO CN1C[C@H](C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1=O ZINC000919082493 1078729547 /nfs/dbraw/zinc/72/95/47/1078729547.db2.gz CXLLDAYOBNJBBM-QGZVFWFLSA-N 1 2 401.463 0.287 20 0 HCADLO Cc1cc(N2CCN(C(=O)COC(=O)CN3CCCNC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000919109143 1078741595 /nfs/dbraw/zinc/74/15/95/1078741595.db2.gz HLWAHRSUPLKLIR-UHFFFAOYSA-N 1 2 418.498 0.516 20 0 HCADLO O=C(CN1CCCNC1=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919109151 1078741669 /nfs/dbraw/zinc/74/16/69/1078741669.db2.gz HYWUDSIZZGCWOG-UHFFFAOYSA-N 1 2 416.478 0.224 20 0 HCADLO O=C(CN1CCCCC1=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919117034 1078744980 /nfs/dbraw/zinc/74/49/80/1078744980.db2.gz BFWFHXFYQCIIBA-UHFFFAOYSA-N 1 2 415.490 0.821 20 0 HCADLO CNc1nc(C)ccc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000919140384 1078749587 /nfs/dbraw/zinc/74/95/87/1078749587.db2.gz RPUUJXGLNXBTQE-UHFFFAOYSA-N 1 2 424.465 0.614 20 0 HCADLO O=C(Cc1nc2ncccn2n1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000919144764 1078757448 /nfs/dbraw/zinc/75/74/48/1078757448.db2.gz XBCARFZBEKDWMG-UHFFFAOYSA-N 1 2 400.464 0.616 20 0 HCADLO O=C(COC(=O)Cc1nc2ncccn2n1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000919148439 1078761319 /nfs/dbraw/zinc/76/13/19/1078761319.db2.gz CSKOBIKOPGXXCQ-UHFFFAOYSA-N 1 2 410.434 0.681 20 0 HCADLO O=C(Cc1nc2ncccn2n1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000919148450 1078761271 /nfs/dbraw/zinc/76/12/71/1078761271.db2.gz DHUJPLGSQAQEAU-UHFFFAOYSA-N 1 2 400.464 0.616 20 0 HCADLO O=C(COC(=O)Cc1nc2ncccn2n1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000919148457 1078761339 /nfs/dbraw/zinc/76/13/39/1078761339.db2.gz DPUGXVBUEBZCGI-UHFFFAOYSA-N 1 2 424.461 0.359 20 0 HCADLO O=C(CCCN1C(=O)CCC1=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000919155538 1078754721 /nfs/dbraw/zinc/75/47/21/1078754721.db2.gz DYTVWWJQEJZJDW-UHFFFAOYSA-N 1 2 407.492 0.865 20 0 HCADLO CN(C)c1cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccn1 ZINC000919156806 1078755319 /nfs/dbraw/zinc/75/53/19/1078755319.db2.gz MPWAXSNJPZOHEP-UHFFFAOYSA-N 1 2 424.465 0.330 20 0 HCADLO CCc1c(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cnn1C ZINC000919174103 1078765589 /nfs/dbraw/zinc/76/55/89/1078765589.db2.gz QCKUXLRNVUJNGE-UHFFFAOYSA-N 1 2 412.454 0.165 20 0 HCADLO Cn1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)ccc1=O ZINC000919202198 1078779159 /nfs/dbraw/zinc/77/91/59/1078779159.db2.gz OYMYYQFXMHGZLP-UHFFFAOYSA-N 1 2 411.458 0.821 20 0 HCADLO O=C(COC(=O)CCn1ccccc1=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000919256794 1078795322 /nfs/dbraw/zinc/79/53/22/1078795322.db2.gz PDKASJPVINRRMK-UHFFFAOYSA-N 1 2 413.474 0.930 20 0 HCADLO C[C@@H](C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1)N1C(=O)CCC1=O ZINC000919259594 1078799154 /nfs/dbraw/zinc/79/91/54/1078799154.db2.gz MAKPJILDZLGSLF-HNNXBMFYSA-N 1 2 417.462 0.216 20 0 HCADLO C[C@H](C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1)N1C(=O)CCC1=O ZINC000919259595 1078798955 /nfs/dbraw/zinc/79/89/55/1078798955.db2.gz MAKPJILDZLGSLF-OAHLLOKOSA-N 1 2 417.462 0.216 20 0 HCADLO C[C@@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)N1C(=O)CCC1=O ZINC000919261065 1078800556 /nfs/dbraw/zinc/80/05/56/1078800556.db2.gz YAVWJFVNINLPJW-AWEZNQCLSA-N 1 2 403.435 0.538 20 0 HCADLO C[C@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)N1C(=O)CCC1=O ZINC000919261066 1078800544 /nfs/dbraw/zinc/80/05/44/1078800544.db2.gz YAVWJFVNINLPJW-CQSZACIVSA-N 1 2 403.435 0.538 20 0 HCADLO Cn1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1=O ZINC000919270855 1078810892 /nfs/dbraw/zinc/81/08/92/1078810892.db2.gz ZSYJNEBRLHPUHT-UHFFFAOYSA-N 1 2 411.458 0.821 20 0 HCADLO COC(=O)N(C)CC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000919290446 1078816870 /nfs/dbraw/zinc/81/68/70/1078816870.db2.gz XQKQIVKCXKADPV-UHFFFAOYSA-N 1 2 405.451 0.507 20 0 HCADLO CO[C@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccccc1 ZINC000919319014 1078821384 /nfs/dbraw/zinc/82/13/84/1078821384.db2.gz VRVWXOJVOGKXAH-SFHVURJKSA-N 1 2 424.461 0.943 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2n[nH]c3c2CCC3)CC1 ZINC000919330956 1078827871 /nfs/dbraw/zinc/82/78/71/1078827871.db2.gz HUHQGNMGJWDZIH-UHFFFAOYSA-N 1 2 410.438 0.081 20 0 HCADLO O=C(COC(=O)CN1CCCS1(=O)=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000919363141 1078845709 /nfs/dbraw/zinc/84/57/09/1078845709.db2.gz VJMMGAAGQWNRGT-UHFFFAOYSA-N 1 2 411.480 0.036 20 0 HCADLO CC(C)c1ncncc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000919391985 1078853818 /nfs/dbraw/zinc/85/38/18/1078853818.db2.gz BJSQDHAOQBTPEU-UHFFFAOYSA-N 1 2 424.465 0.782 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2scnc2Cl)CC1 ZINC000919415761 1078857250 /nfs/dbraw/zinc/85/72/50/1078857250.db2.gz NZXREFUMEWMTMW-UHFFFAOYSA-N 1 2 421.870 0.979 20 0 HCADLO O=C(CCN1CCCS1(=O)=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000919435791 1078862475 /nfs/dbraw/zinc/86/24/75/1078862475.db2.gz FDESENSJJGQHKD-UHFFFAOYSA-N 1 2 415.537 0.361 20 0 HCADLO O=C(CCN1CCCS1(=O)=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000919440307 1078864356 /nfs/dbraw/zinc/86/43/56/1078864356.db2.gz HBLZNDBTMBUODZ-UHFFFAOYSA-N 1 2 415.537 0.361 20 0 HCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cccc3c2OCO3)CC1 ZINC000919474189 1078874833 /nfs/dbraw/zinc/87/48/33/1078874833.db2.gz DRYYVHPOAMYPQR-UHFFFAOYSA-N 1 2 424.417 0.598 20 0 HCADLO COC(=O)NCC(=O)OCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000919511795 1078899271 /nfs/dbraw/zinc/89/92/71/1078899271.db2.gz PNIXYWIKPKVSCP-UHFFFAOYSA-N 1 2 423.466 0.556 20 0 HCADLO CCN1C(=O)c2ccc(C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cc2S1(=O)=O ZINC000919691965 1078959738 /nfs/dbraw/zinc/95/97/38/1078959738.db2.gz XOZLAPPTJRTAAQ-HNNXBMFYSA-N 1 2 407.492 0.788 20 0 HCADLO CCN1C(=O)c2ccc(C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cc2S1(=O)=O ZINC000919691967 1078959634 /nfs/dbraw/zinc/95/96/34/1078959634.db2.gz XOZLAPPTJRTAAQ-OAHLLOKOSA-N 1 2 407.492 0.788 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)CC1 ZINC000919711581 1078964887 /nfs/dbraw/zinc/96/48/87/1078964887.db2.gz UNNJJMQYBBTYSJ-UHFFFAOYSA-N 1 2 422.507 0.135 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)CC1 ZINC000919711581 1078964868 /nfs/dbraw/zinc/96/48/68/1078964868.db2.gz UNNJJMQYBBTYSJ-UHFFFAOYSA-N 1 2 422.507 0.135 20 0 HCADLO COC(=O)c1sc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1Cl ZINC000919720871 1078974944 /nfs/dbraw/zinc/97/49/44/1078974944.db2.gz MXXVDVBKTVVDCW-UHFFFAOYSA-N 1 2 423.948 0.197 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NCC[N@H+]3CCCC[C@H]3C)n2c(NCC)[nH+]1 ZINC000919747467 1078993412 /nfs/dbraw/zinc/99/34/12/1078993412.db2.gz UVFPSWHXOKXSDF-CYBMUJFWSA-N 1 2 421.575 0.888 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NCC[N@@H+]3CCCC[C@H]3C)n2c(NCC)[nH+]1 ZINC000919747467 1078993397 /nfs/dbraw/zinc/99/33/97/1078993397.db2.gz UVFPSWHXOKXSDF-CYBMUJFWSA-N 1 2 421.575 0.888 20 0 HCADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000919757599 1079001298 /nfs/dbraw/zinc/00/12/98/1079001298.db2.gz YCTWKZAKIVKWBC-GXTWGEPZSA-N 1 2 414.553 0.959 20 0 HCADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 ZINC000919757600 1079001219 /nfs/dbraw/zinc/00/12/19/1079001219.db2.gz YCTWKZAKIVKWBC-JSGCOSHPSA-N 1 2 414.553 0.959 20 0 HCADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 ZINC000919757601 1079001448 /nfs/dbraw/zinc/00/14/48/1079001448.db2.gz YCTWKZAKIVKWBC-OCCSQVGLSA-N 1 2 414.553 0.959 20 0 HCADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000919757602 1079001486 /nfs/dbraw/zinc/00/14/86/1079001486.db2.gz YCTWKZAKIVKWBC-TZMCWYRMSA-N 1 2 414.553 0.959 20 0 HCADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000919804352 1079010922 /nfs/dbraw/zinc/01/09/22/1079010922.db2.gz KOALKZITYMCLES-DWCFMXGVSA-N 1 2 420.535 0.342 20 0 HCADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000919804352 1079010916 /nfs/dbraw/zinc/01/09/16/1079010916.db2.gz KOALKZITYMCLES-DWCFMXGVSA-N 1 2 420.535 0.342 20 0 HCADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000919804353 1079010784 /nfs/dbraw/zinc/01/07/84/1079010784.db2.gz KOALKZITYMCLES-IDGGIGOKSA-N 1 2 420.535 0.342 20 0 HCADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000919804353 1079010773 /nfs/dbraw/zinc/01/07/73/1079010773.db2.gz KOALKZITYMCLES-IDGGIGOKSA-N 1 2 420.535 0.342 20 0 HCADLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000919804354 1079010809 /nfs/dbraw/zinc/01/08/09/1079010809.db2.gz KOALKZITYMCLES-IKFRKZOMSA-N 1 2 420.535 0.342 20 0 HCADLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000919804354 1079010800 /nfs/dbraw/zinc/01/08/00/1079010800.db2.gz KOALKZITYMCLES-IKFRKZOMSA-N 1 2 420.535 0.342 20 0 HCADLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000919804355 1079010870 /nfs/dbraw/zinc/01/08/70/1079010870.db2.gz KOALKZITYMCLES-YHTSIIMFSA-N 1 2 420.535 0.342 20 0 HCADLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000919804355 1079010863 /nfs/dbraw/zinc/01/08/63/1079010863.db2.gz KOALKZITYMCLES-YHTSIIMFSA-N 1 2 420.535 0.342 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)n2c(NCC)[nH+]1 ZINC000919842265 1079024419 /nfs/dbraw/zinc/02/44/19/1079024419.db2.gz ATRJPHWHGMNCLA-OLZOCXBDSA-N 1 2 419.559 0.640 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)n2c(NCC)[nH+]1 ZINC000919842265 1079024410 /nfs/dbraw/zinc/02/44/10/1079024410.db2.gz ATRJPHWHGMNCLA-OLZOCXBDSA-N 1 2 419.559 0.640 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)n2c(NCC)[nH+]1 ZINC000919842266 1079024537 /nfs/dbraw/zinc/02/45/37/1079024537.db2.gz ATRJPHWHGMNCLA-STQMWFEESA-N 1 2 419.559 0.640 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)n2c(NCC)[nH+]1 ZINC000919842266 1079024530 /nfs/dbraw/zinc/02/45/30/1079024530.db2.gz ATRJPHWHGMNCLA-STQMWFEESA-N 1 2 419.559 0.640 20 0 HCADLO O=C(Nc1nncs1)C1CC[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000919941945 1079051405 /nfs/dbraw/zinc/05/14/05/1079051405.db2.gz ADMVLPRFZNMEGR-UHFFFAOYSA-N 1 2 406.468 0.880 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NCC[N@H+]3CCC[C@@H](C)C3)n2c(NCC)[nH+]1 ZINC000919966789 1079060159 /nfs/dbraw/zinc/06/01/59/1079060159.db2.gz FUVAQKJVZSYPOL-CYBMUJFWSA-N 1 2 421.575 0.745 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NCC[N@@H+]3CCC[C@@H](C)C3)n2c(NCC)[nH+]1 ZINC000919966789 1079060156 /nfs/dbraw/zinc/06/01/56/1079060156.db2.gz FUVAQKJVZSYPOL-CYBMUJFWSA-N 1 2 421.575 0.745 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NCC[N@H+]3CCC[C@H](C)C3)n2c(NCC)[nH+]1 ZINC000919966790 1079060129 /nfs/dbraw/zinc/06/01/29/1079060129.db2.gz FUVAQKJVZSYPOL-ZDUSSCGKSA-N 1 2 421.575 0.745 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NCC[N@@H+]3CCC[C@H](C)C3)n2c(NCC)[nH+]1 ZINC000919966790 1079060127 /nfs/dbraw/zinc/06/01/27/1079060127.db2.gz FUVAQKJVZSYPOL-ZDUSSCGKSA-N 1 2 421.575 0.745 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)c2)CC1 ZINC000919996294 1079073106 /nfs/dbraw/zinc/07/31/06/1079073106.db2.gz ATFHJYZHRKMEIQ-UHFFFAOYSA-N 1 2 415.519 0.870 20 0 HCADLO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[NH+]1CCOCC1 ZINC000920023321 1079081706 /nfs/dbraw/zinc/08/17/06/1079081706.db2.gz CNSASEXDNWYVJA-NSKUMVKISA-N 1 2 414.506 0.627 20 0 HCADLO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[NH+]1CCOCC1 ZINC000920023322 1079081635 /nfs/dbraw/zinc/08/16/35/1079081635.db2.gz CNSASEXDNWYVJA-VOFFAFHOSA-N 1 2 414.506 0.627 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000920023435 1079082030 /nfs/dbraw/zinc/08/20/30/1079082030.db2.gz COLSIXQKCUOBOY-NSKUMVKISA-N 1 2 414.506 0.627 20 0 HCADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000920023437 1079082112 /nfs/dbraw/zinc/08/21/12/1079082112.db2.gz COLSIXQKCUOBOY-VOFFAFHOSA-N 1 2 414.506 0.627 20 0 HCADLO COC(=O)N1CCC(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000920052751 1079094297 /nfs/dbraw/zinc/09/42/97/1079094297.db2.gz RROHXXCLNYDIPX-UHFFFAOYSA-N 1 2 402.459 0.426 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000920092730 1079103179 /nfs/dbraw/zinc/10/31/79/1079103179.db2.gz BCCBKMUHIPXDQV-UHFFFAOYSA-N 1 2 422.283 0.179 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000920092730 1079103177 /nfs/dbraw/zinc/10/31/77/1079103177.db2.gz BCCBKMUHIPXDQV-UHFFFAOYSA-N 1 2 422.283 0.179 20 0 HCADLO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000920092778 1079103148 /nfs/dbraw/zinc/10/31/48/1079103148.db2.gz GVJPSMVVOPBMNJ-UHFFFAOYSA-N 1 2 418.523 0.652 20 0 HCADLO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000920092778 1079103145 /nfs/dbraw/zinc/10/31/45/1079103145.db2.gz GVJPSMVVOPBMNJ-UHFFFAOYSA-N 1 2 418.523 0.652 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000920093158 1079103169 /nfs/dbraw/zinc/10/31/69/1079103169.db2.gz PVDLENNJQFJKAL-CYBMUJFWSA-N 1 2 423.311 0.822 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000920093158 1079103166 /nfs/dbraw/zinc/10/31/66/1079103166.db2.gz PVDLENNJQFJKAL-CYBMUJFWSA-N 1 2 423.311 0.822 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000920093159 1079103101 /nfs/dbraw/zinc/10/31/01/1079103101.db2.gz PVDLENNJQFJKAL-ZDUSSCGKSA-N 1 2 423.311 0.822 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000920093159 1079103099 /nfs/dbraw/zinc/10/30/99/1079103099.db2.gz PVDLENNJQFJKAL-ZDUSSCGKSA-N 1 2 423.311 0.822 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000920093205 1079103063 /nfs/dbraw/zinc/10/30/63/1079103063.db2.gz RQMYHMVDUBVVQF-UHFFFAOYSA-N 1 2 422.551 0.423 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000920093205 1079103054 /nfs/dbraw/zinc/10/30/54/1079103054.db2.gz RQMYHMVDUBVVQF-UHFFFAOYSA-N 1 2 422.551 0.423 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000920093236 1079103136 /nfs/dbraw/zinc/10/31/36/1079103136.db2.gz UHLXWEWLJFKOSC-CYBMUJFWSA-N 1 2 423.311 0.822 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000920093236 1079103134 /nfs/dbraw/zinc/10/31/34/1079103134.db2.gz UHLXWEWLJFKOSC-CYBMUJFWSA-N 1 2 423.311 0.822 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000920093238 1079103155 /nfs/dbraw/zinc/10/31/55/1079103155.db2.gz UHLXWEWLJFKOSC-ZDUSSCGKSA-N 1 2 423.311 0.822 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000920093238 1079103154 /nfs/dbraw/zinc/10/31/54/1079103154.db2.gz UHLXWEWLJFKOSC-ZDUSSCGKSA-N 1 2 423.311 0.822 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2)cc1 ZINC000920096966 1079104616 /nfs/dbraw/zinc/10/46/16/1079104616.db2.gz MEXZFOXWYVJLFS-UHFFFAOYSA-N 1 2 422.551 0.415 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2)cc1 ZINC000920096966 1079104612 /nfs/dbraw/zinc/10/46/12/1079104612.db2.gz MEXZFOXWYVJLFS-UHFFFAOYSA-N 1 2 422.551 0.415 20 0 HCADLO COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C(C)C)c1 ZINC000920097361 1079102528 /nfs/dbraw/zinc/10/25/28/1079102528.db2.gz VKIPZHCBEGXIDK-IBGZPJMESA-N 1 2 420.510 0.478 20 0 HCADLO COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C(C)C)c1 ZINC000920097361 1079102526 /nfs/dbraw/zinc/10/25/26/1079102526.db2.gz VKIPZHCBEGXIDK-IBGZPJMESA-N 1 2 420.510 0.478 20 0 HCADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)NCc3ccccc3)c2)CC1 ZINC000920188223 1079128933 /nfs/dbraw/zinc/12/89/33/1079128933.db2.gz BCKOPUQFHXTDMT-UHFFFAOYSA-N 1 2 423.517 0.805 20 0 HCADLO COC(=O)N1CCC(NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000920207262 1079130659 /nfs/dbraw/zinc/13/06/59/1079130659.db2.gz KSOUKECTONVALW-UHFFFAOYSA-N 1 2 417.510 0.720 20 0 HCADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000920250675 1079138485 /nfs/dbraw/zinc/13/84/85/1079138485.db2.gz ZBWPDPRARRHOMJ-CMDGGOBGSA-N 1 2 406.527 0.838 20 0 HCADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000920250677 1079138565 /nfs/dbraw/zinc/13/85/65/1079138565.db2.gz ZBWPDPRARRHOMJ-HJWRWDBZSA-N 1 2 406.527 0.838 20 0 HCADLO COC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)cc(C(=O)OC)c1 ZINC000920258226 1079140024 /nfs/dbraw/zinc/14/00/24/1079140024.db2.gz QRXBIGFFACPEBC-UHFFFAOYSA-N 1 2 421.450 0.019 20 0 HCADLO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)NCCO)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000920258432 1079140081 /nfs/dbraw/zinc/14/00/81/1079140081.db2.gz UXOUAKGEYWESKN-KRWDZBQOSA-N 1 2 420.466 0.271 20 0 HCADLO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)NCCO)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000920258433 1079140014 /nfs/dbraw/zinc/14/00/14/1079140014.db2.gz UXOUAKGEYWESKN-QGZVFWFLSA-N 1 2 420.466 0.271 20 0 HCADLO NC(=O)c1c(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)sc2c1CCCC2 ZINC000920258706 1079139982 /nfs/dbraw/zinc/13/99/82/1079139982.db2.gz ZYKRVCHWXIHVKO-UHFFFAOYSA-N 1 2 408.524 0.485 20 0 HCADLO CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000920278258 1079142508 /nfs/dbraw/zinc/14/25/08/1079142508.db2.gz FEDFOMFTKXHKJZ-HNNXBMFYSA-N 1 2 422.913 0.918 20 0 HCADLO CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000920278259 1079142973 /nfs/dbraw/zinc/14/29/73/1079142973.db2.gz FEDFOMFTKXHKJZ-OAHLLOKOSA-N 1 2 422.913 0.918 20 0 HCADLO CCOc1nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=S)s1 ZINC000920304422 1079145740 /nfs/dbraw/zinc/14/57/40/1079145740.db2.gz PADOBZLNTDNRNB-UHFFFAOYSA-N 1 2 422.602 0.140 20 0 HCADLO O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CC[NH+](CCO)CC1 ZINC000920336805 1079152095 /nfs/dbraw/zinc/15/20/95/1079152095.db2.gz RVUBZLMUTLJBOV-CAOOACKPSA-N 1 2 407.536 0.836 20 0 HCADLO O=C(C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N1CC[NH+](CCO)CC1 ZINC000920336806 1079152065 /nfs/dbraw/zinc/15/20/65/1079152065.db2.gz RVUBZLMUTLJBOV-IUXPMGMMSA-N 1 2 407.536 0.836 20 0 HCADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c(=O)n2C ZINC000920406380 1079154122 /nfs/dbraw/zinc/15/41/22/1079154122.db2.gz MZWISKGOWHKNQC-UHFFFAOYSA-N 1 2 406.487 0.377 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C[C@H]3CCCCO3)C2=O)cc1 ZINC000920412896 1079157029 /nfs/dbraw/zinc/15/70/29/1079157029.db2.gz DAPMFTUAJIDYDY-OXQOHEQNSA-N 1 2 404.467 0.994 20 0 HCADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C[C@H]3CCCCO3)C2=O)cc1 ZINC000920412896 1079157027 /nfs/dbraw/zinc/15/70/27/1079157027.db2.gz DAPMFTUAJIDYDY-OXQOHEQNSA-N 1 2 404.467 0.994 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C[C@H]3CCCCO3)C2=O)cc1 ZINC000920412897 1079156929 /nfs/dbraw/zinc/15/69/29/1079156929.db2.gz DAPMFTUAJIDYDY-UZLBHIALSA-N 1 2 404.467 0.994 20 0 HCADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C[C@H]3CCCCO3)C2=O)cc1 ZINC000920412897 1079156924 /nfs/dbraw/zinc/15/69/24/1079156924.db2.gz DAPMFTUAJIDYDY-UZLBHIALSA-N 1 2 404.467 0.994 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000920419292 1079157610 /nfs/dbraw/zinc/15/76/10/1079157610.db2.gz YOJMJJPINSMTCJ-CHWSQXEVSA-N 1 2 423.514 0.474 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000920419292 1079157606 /nfs/dbraw/zinc/15/76/06/1079157606.db2.gz YOJMJJPINSMTCJ-CHWSQXEVSA-N 1 2 423.514 0.474 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000920419294 1079157372 /nfs/dbraw/zinc/15/73/72/1079157372.db2.gz YOJMJJPINSMTCJ-OLZOCXBDSA-N 1 2 423.514 0.474 20 0 HCADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000920419294 1079157364 /nfs/dbraw/zinc/15/73/64/1079157364.db2.gz YOJMJJPINSMTCJ-OLZOCXBDSA-N 1 2 423.514 0.474 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000920419331 1079157497 /nfs/dbraw/zinc/15/74/97/1079157497.db2.gz YOJMJJPINSMTCJ-STQMWFEESA-N 1 2 423.514 0.474 20 0 HCADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000920419331 1079157488 /nfs/dbraw/zinc/15/74/88/1079157488.db2.gz YOJMJJPINSMTCJ-STQMWFEESA-N 1 2 423.514 0.474 20 0 HCADLO CC(C)(CNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000920429687 1079165158 /nfs/dbraw/zinc/16/51/58/1079165158.db2.gz XCSKRAPKNZUDLA-UHFFFAOYSA-N 1 2 420.329 0.937 20 0 HCADLO COCCN1C(=O)c2ccc(C(=O)NCCNc3cccc[nH+]3)cc2S1(=O)=O ZINC000920438849 1079167015 /nfs/dbraw/zinc/16/70/15/1079167015.db2.gz SXRPQFVVUPRPOJ-UHFFFAOYSA-N 1 2 404.448 0.714 20 0 HCADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1)N1CCCC1 ZINC000920443339 1079158569 /nfs/dbraw/zinc/15/85/69/1079158569.db2.gz CVKXPMFHNRITHJ-UHFFFAOYSA-N 1 2 401.511 0.689 20 0 HCADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1)N1CCCC1 ZINC000920443339 1079158565 /nfs/dbraw/zinc/15/85/65/1079158565.db2.gz CVKXPMFHNRITHJ-UHFFFAOYSA-N 1 2 401.511 0.689 20 0 HCADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@H](C)[NH+]3CCCC3)n2c(NCC)[nH+]1 ZINC000920445285 1079159289 /nfs/dbraw/zinc/15/92/89/1079159289.db2.gz VMLOJHJEPGMBSL-LBPRGKRZSA-N 1 2 407.548 0.497 20 0 HCADLO C[NH+](C)CC(=O)N1CCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000920446520 1079159324 /nfs/dbraw/zinc/15/93/24/1079159324.db2.gz XUWIEJZXGFARBV-UHFFFAOYSA-N 1 2 403.508 0.308 20 0 HCADLO CCn1c(=O)c2ccc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)cc2[nH]c1=S ZINC000920446527 1079159406 /nfs/dbraw/zinc/15/94/06/1079159406.db2.gz XWKUKBLIDVVAIJ-UHFFFAOYSA-N 1 2 403.508 0.551 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000920449583 1079159947 /nfs/dbraw/zinc/15/99/47/1079159947.db2.gz DGJUVNVOLUFZPH-NBVRZTHBSA-N 1 2 421.461 0.951 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000920449583 1079159944 /nfs/dbraw/zinc/15/99/44/1079159944.db2.gz DGJUVNVOLUFZPH-NBVRZTHBSA-N 1 2 421.461 0.951 20 0 HCADLO COc1nn(C)c2nc(C)c(CCC(=O)N3CCC[N@@H+](CC(N)=O)CC3)c(C)c12 ZINC000920449590 1079159929 /nfs/dbraw/zinc/15/99/29/1079159929.db2.gz FFIIPFRAVIFCCW-UHFFFAOYSA-N 1 2 402.499 0.546 20 0 HCADLO COc1nn(C)c2nc(C)c(CCC(=O)N3CCC[N@H+](CC(N)=O)CC3)c(C)c12 ZINC000920449590 1079159927 /nfs/dbraw/zinc/15/99/27/1079159927.db2.gz FFIIPFRAVIFCCW-UHFFFAOYSA-N 1 2 402.499 0.546 20 0 HCADLO CC[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000920449596 1079160042 /nfs/dbraw/zinc/16/00/42/1079160042.db2.gz FOCKFXWMCJUCPA-OAHLLOKOSA-N 1 2 405.890 0.964 20 0 HCADLO CC[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000920449596 1079160037 /nfs/dbraw/zinc/16/00/37/1079160037.db2.gz FOCKFXWMCJUCPA-OAHLLOKOSA-N 1 2 405.890 0.964 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[N@@H+](CC(N)=O)CC2)s1 ZINC000920449622 1079159999 /nfs/dbraw/zinc/15/99/99/1079159999.db2.gz GQDMLPFNKSWFIR-AWEZNQCLSA-N 1 2 414.553 0.229 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[N@H+](CC(N)=O)CC2)s1 ZINC000920449622 1079159997 /nfs/dbraw/zinc/15/99/97/1079159997.db2.gz GQDMLPFNKSWFIR-AWEZNQCLSA-N 1 2 414.553 0.229 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[N@@H+](CC(N)=O)CC2)s1 ZINC000920449626 1079159955 /nfs/dbraw/zinc/15/99/55/1079159955.db2.gz GQDMLPFNKSWFIR-CQSZACIVSA-N 1 2 414.553 0.229 20 0 HCADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[N@H+](CC(N)=O)CC2)s1 ZINC000920449626 1079159952 /nfs/dbraw/zinc/15/99/52/1079159952.db2.gz GQDMLPFNKSWFIR-CQSZACIVSA-N 1 2 414.553 0.229 20 0 HCADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920449689 1079159989 /nfs/dbraw/zinc/15/99/89/1079159989.db2.gz KACCBXIZGQNLSM-MRXNPFEDSA-N 1 2 422.913 0.973 20 0 HCADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920449689 1079159984 /nfs/dbraw/zinc/15/99/84/1079159984.db2.gz KACCBXIZGQNLSM-MRXNPFEDSA-N 1 2 422.913 0.973 20 0 HCADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920449801 1079160010 /nfs/dbraw/zinc/16/00/10/1079160010.db2.gz QKFURMJKEWJOPL-KRWDZBQOSA-N 1 2 402.495 0.710 20 0 HCADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920449801 1079160007 /nfs/dbraw/zinc/16/00/07/1079160007.db2.gz QKFURMJKEWJOPL-KRWDZBQOSA-N 1 2 402.495 0.710 20 0 HCADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920449805 1079159966 /nfs/dbraw/zinc/15/99/66/1079159966.db2.gz QKFURMJKEWJOPL-QGZVFWFLSA-N 1 2 402.495 0.710 20 0 HCADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920449805 1079159961 /nfs/dbraw/zinc/15/99/61/1079159961.db2.gz QKFURMJKEWJOPL-QGZVFWFLSA-N 1 2 402.495 0.710 20 0 HCADLO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920449819 1079160917 /nfs/dbraw/zinc/16/09/17/1079160917.db2.gz RELXRYWUNXPPSI-NRFANRHFSA-N 1 2 413.478 0.005 20 0 HCADLO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920449819 1079160915 /nfs/dbraw/zinc/16/09/15/1079160915.db2.gz RELXRYWUNXPPSI-NRFANRHFSA-N 1 2 413.478 0.005 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000920449948 1079160911 /nfs/dbraw/zinc/16/09/11/1079160911.db2.gz DNWYSWXZYRUUCF-SFHVURJKSA-N 1 2 424.567 0.708 20 0 HCADLO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000920449948 1079160907 /nfs/dbraw/zinc/16/09/07/1079160907.db2.gz DNWYSWXZYRUUCF-SFHVURJKSA-N 1 2 424.567 0.708 20 0 HCADLO CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920449960 1079160867 /nfs/dbraw/zinc/16/08/67/1079160867.db2.gz GHBIXQMMWSLGMS-KRWDZBQOSA-N 1 2 422.551 0.323 20 0 HCADLO CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920449960 1079160860 /nfs/dbraw/zinc/16/08/60/1079160860.db2.gz GHBIXQMMWSLGMS-KRWDZBQOSA-N 1 2 422.551 0.323 20 0 HCADLO CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920449961 1079160663 /nfs/dbraw/zinc/16/06/63/1079160663.db2.gz GHBIXQMMWSLGMS-QGZVFWFLSA-N 1 2 422.551 0.323 20 0 HCADLO CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920449961 1079160652 /nfs/dbraw/zinc/16/06/52/1079160652.db2.gz GHBIXQMMWSLGMS-QGZVFWFLSA-N 1 2 422.551 0.323 20 0 HCADLO COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920450005 1079160898 /nfs/dbraw/zinc/16/08/98/1079160898.db2.gz KWEDEWKRHMJCDH-INIZCTEOSA-N 1 2 422.551 0.566 20 0 HCADLO COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920450005 1079160894 /nfs/dbraw/zinc/16/08/94/1079160894.db2.gz KWEDEWKRHMJCDH-INIZCTEOSA-N 1 2 422.551 0.566 20 0 HCADLO COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000920450006 1079160819 /nfs/dbraw/zinc/16/08/19/1079160819.db2.gz KWEDEWKRHMJCDH-MRXNPFEDSA-N 1 2 422.551 0.566 20 0 HCADLO COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000920450006 1079160811 /nfs/dbraw/zinc/16/08/11/1079160811.db2.gz KWEDEWKRHMJCDH-MRXNPFEDSA-N 1 2 422.551 0.566 20 0 HCADLO COc1ccc(N2C[C@@H](C(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2=O)c(OC)c1 ZINC000920450157 1079160880 /nfs/dbraw/zinc/16/08/80/1079160880.db2.gz PQPDTZLDIOCAOP-AWEZNQCLSA-N 1 2 404.467 0.076 20 0 HCADLO COc1ccc(N2C[C@@H](C(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2=O)c(OC)c1 ZINC000920450157 1079160877 /nfs/dbraw/zinc/16/08/77/1079160877.db2.gz PQPDTZLDIOCAOP-AWEZNQCLSA-N 1 2 404.467 0.076 20 0 HCADLO COc1ccc(N2C[C@H](C(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2=O)c(OC)c1 ZINC000920450158 1079160783 /nfs/dbraw/zinc/16/07/83/1079160783.db2.gz PQPDTZLDIOCAOP-CQSZACIVSA-N 1 2 404.467 0.076 20 0 HCADLO COc1ccc(N2C[C@H](C(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2=O)c(OC)c1 ZINC000920450158 1079160776 /nfs/dbraw/zinc/16/07/76/1079160776.db2.gz PQPDTZLDIOCAOP-CQSZACIVSA-N 1 2 404.467 0.076 20 0 HCADLO COc1cc(C(=O)NCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)ccc1OC(F)F ZINC000920450356 1079160765 /nfs/dbraw/zinc/16/07/65/1079160765.db2.gz BGPFWOUOCMRKMJ-UHFFFAOYSA-N 1 2 414.409 0.046 20 0 HCADLO COc1cc(C(=O)NCC(=O)N2CCC[N@H+](CC(N)=O)CC2)ccc1OC(F)F ZINC000920450356 1079160758 /nfs/dbraw/zinc/16/07/58/1079160758.db2.gz BGPFWOUOCMRKMJ-UHFFFAOYSA-N 1 2 414.409 0.046 20 0 HCADLO NC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000920450514 1079160926 /nfs/dbraw/zinc/16/09/26/1079160926.db2.gz OUVWZIXVPIVFDG-UHFFFAOYSA-N 1 2 402.904 0.028 20 0 HCADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000920450514 1079160924 /nfs/dbraw/zinc/16/09/24/1079160924.db2.gz OUVWZIXVPIVFDG-UHFFFAOYSA-N 1 2 402.904 0.028 20 0 HCADLO CC(C)C[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000920450527 1079160800 /nfs/dbraw/zinc/16/08/00/1079160800.db2.gz RXLLBALBBLLQSL-BRWVUGGUSA-N 1 2 404.511 0.372 20 0 HCADLO CC(C)C[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000920450527 1079160795 /nfs/dbraw/zinc/16/07/95/1079160795.db2.gz RXLLBALBBLLQSL-BRWVUGGUSA-N 1 2 404.511 0.372 20 0 HCADLO CC(C)C[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000920450528 1079160844 /nfs/dbraw/zinc/16/08/44/1079160844.db2.gz RXLLBALBBLLQSL-YESZJQIVSA-N 1 2 404.511 0.372 20 0 HCADLO CC(C)C[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000920450528 1079160839 /nfs/dbraw/zinc/16/08/39/1079160839.db2.gz RXLLBALBBLLQSL-YESZJQIVSA-N 1 2 404.511 0.372 20 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/nfs/dbraw/zinc/16/16/19/1079161619.db2.gz OVMKTMYJVYWHPA-RBSFLKMASA-N 1 2 421.494 0.721 20 0 HCADLO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1OC ZINC000920452432 1079161736 /nfs/dbraw/zinc/16/17/36/1079161736.db2.gz OVMKTMYJVYWHPA-RRFJBIMHSA-N 1 2 421.494 0.721 20 0 HCADLO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1OC ZINC000920452433 1079161501 /nfs/dbraw/zinc/16/15/01/1079161501.db2.gz OVMKTMYJVYWHPA-SOUVJXGZSA-N 1 2 421.494 0.721 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000920455828 1079162582 /nfs/dbraw/zinc/16/25/82/1079162582.db2.gz CVSHALPFGRPLDW-NRFANRHFSA-N 1 2 415.494 0.124 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000920455828 1079162575 /nfs/dbraw/zinc/16/25/75/1079162575.db2.gz CVSHALPFGRPLDW-NRFANRHFSA-N 1 2 415.494 0.124 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000920455829 1079162782 /nfs/dbraw/zinc/16/27/82/1079162782.db2.gz CVSHALPFGRPLDW-OAQYLSRUSA-N 1 2 415.494 0.124 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000920455829 1079162772 /nfs/dbraw/zinc/16/27/72/1079162772.db2.gz CVSHALPFGRPLDW-OAQYLSRUSA-N 1 2 415.494 0.124 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000920455831 1079162628 /nfs/dbraw/zinc/16/26/28/1079162628.db2.gz DAFXUQKIWQCWPE-UHFFFAOYSA-N 1 2 412.512 0.153 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000920455831 1079162619 /nfs/dbraw/zinc/16/26/19/1079162619.db2.gz DAFXUQKIWQCWPE-UHFFFAOYSA-N 1 2 412.512 0.153 20 0 HCADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1 ZINC000920455939 1079162853 /nfs/dbraw/zinc/16/28/53/1079162853.db2.gz IJGUFPSCHQOHQB-UHFFFAOYSA-N 1 2 412.512 0.153 20 0 HCADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1 ZINC000920455939 1079162846 /nfs/dbraw/zinc/16/28/46/1079162846.db2.gz 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ZINC000942531428 1079062588 /nfs/dbraw/zinc/06/25/88/1079062588.db2.gz PRQIJEZZDSJWAP-LYQVJHBMSA-N 1 2 402.495 0.692 20 0 HCADLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1OC ZINC000942531589 1079063025 /nfs/dbraw/zinc/06/30/25/1079063025.db2.gz TXNCACYQEDDMDQ-JAPSMCJHSA-N 1 2 401.463 0.398 20 0 HCADLO CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000943123693 1079097403 /nfs/dbraw/zinc/09/74/03/1079097403.db2.gz OVAVIALUEIMPET-URLCPOCESA-N 1 2 424.501 0.951 20 0 HCADLO CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000943267478 1079101323 /nfs/dbraw/zinc/10/13/23/1079101323.db2.gz LUCOXZZHVJDAOG-SMYUGJJSSA-N 1 2 423.473 0.646 20 0 HCADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H](OC)C1 ZINC000944009030 1079138567 /nfs/dbraw/zinc/13/85/67/1079138567.db2.gz UBXGYWSSEIPCEI-HBRGRJGCSA-N 1 2 403.479 0.790 20 0 HCADLO CO[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944025353 1079146437 /nfs/dbraw/zinc/14/64/37/1079146437.db2.gz RDPSHJBLCDJBNY-URLCPOCESA-N 1 2 424.501 0.951 20 0 HCADLO CO[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944025815 1079147530 /nfs/dbraw/zinc/14/75/30/1079147530.db2.gz XSKHWVVQQQFMQX-SMYUGJJSSA-N 1 2 423.473 0.646 20 0 HCADLO CO[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944043667 1079153320 /nfs/dbraw/zinc/15/33/20/1079153320.db2.gz AKKHIQULGKHXLO-KPNNEQLTSA-N 1 2 414.506 0.527 20 0 HCADLO CO[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944054799 1079156092 /nfs/dbraw/zinc/15/60/92/1079156092.db2.gz MAYAIDQMZQNMPJ-SMYUGJJSSA-N 1 2 423.473 0.646 20 0 HCADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](OC)C1 ZINC000944055183 1079156463 /nfs/dbraw/zinc/15/64/63/1079156463.db2.gz STBVAEHUYUZERC-JAPSMCJHSA-N 1 2 401.463 0.398 20 0 HCADLO CO[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944055527 1079157068 /nfs/dbraw/zinc/15/70/68/1079157068.db2.gz VJZXHKUYFPXIOG-LYQVJHBMSA-N 1 2 402.495 0.692 20 0 HCADLO Cc1cn(C(C)(C)C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c[nH+]1 ZINC000944690547 1079213976 /nfs/dbraw/zinc/21/39/76/1079213976.db2.gz HUSMBDZWRGWKPR-RFSXOUPVSA-N 1 2 402.495 0.694 20 0 HCADLO Cc1cn(C(C)(C)C(=O)N2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c[nH+]1 ZINC000944690548 1079213922 /nfs/dbraw/zinc/21/39/22/1079213922.db2.gz HUSMBDZWRGWKPR-ZXXIGWHRSA-N 1 2 402.495 0.694 20 0 HCADLO COc1cc[nH+]cc1CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000944690809 1079214324 /nfs/dbraw/zinc/21/43/24/1079214324.db2.gz JRQWGMWOJQYCNL-SHIIKYBRSA-N 1 2 401.463 0.400 20 0 HCADLO COc1cc[nH+]cc1CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000944690810 1079214308 /nfs/dbraw/zinc/21/43/08/1079214308.db2.gz JRQWGMWOJQYCNL-ZZWCWMLESA-N 1 2 401.463 0.400 20 0 HCADLO CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000946557920 1080399989 /nfs/dbraw/zinc/39/99/89/1080399989.db2.gz ILDOEFKLVUARAT-SMYUGJJSSA-N 1 2 423.473 0.646 20 0 HCADLO C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000992842924 1077412728 /nfs/dbraw/zinc/41/27/28/1077412728.db2.gz DJMJSKQFOACVLJ-DSHGTTJVSA-N 1 2 402.495 0.701 20 0 HCADLO C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000993050325 1077611869 /nfs/dbraw/zinc/61/18/69/1077611869.db2.gz XLPWQRIOQQRGTH-IAMJSIAXSA-N 1 2 402.495 0.701 20 0 HCADLO C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000993050325 1077611859 /nfs/dbraw/zinc/61/18/59/1077611859.db2.gz XLPWQRIOQQRGTH-IAMJSIAXSA-N 1 2 402.495 0.701 20 0 HCADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@]2(C)C1 ZINC000993156100 1077810522 /nfs/dbraw/zinc/81/05/22/1077810522.db2.gz NIMDTPUCCGXRNC-IAMJSIAXSA-N 1 2 402.495 0.321 20 0 HCADLO C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000993180995 1077831782 /nfs/dbraw/zinc/83/17/82/1077831782.db2.gz QCJNXAWJBDLVTL-QFFBRLJFSA-N 1 2 402.495 0.632 20 0 HCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@]2(C)C1 ZINC000993202943 1077857110 /nfs/dbraw/zinc/85/71/10/1077857110.db2.gz XCEPOTJQNZLJHH-DSHGTTJVSA-N 1 2 402.495 0.619 20 0 HCADLO C[C@@]12CN(C(=O)CCn3cc[nH+]c3)C[C@@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000993244087 1077902611 /nfs/dbraw/zinc/90/26/11/1077902611.db2.gz QCJNXAWJBDLVTL-KBDQTRBESA-N 1 2 402.495 0.632 20 0 HCADLO C[C@@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000993245867 1077903313 /nfs/dbraw/zinc/90/33/13/1077903313.db2.gz DJMJSKQFOACVLJ-YWCZOLQUSA-N 1 2 402.495 0.701 20 0 HCADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@]2(C)C1 ZINC000993247822 1077903695 /nfs/dbraw/zinc/90/36/95/1077903695.db2.gz NIMDTPUCCGXRNC-MYJBXWICSA-N 1 2 402.495 0.321 20 0 HCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@]2(C)C1 ZINC000993249302 1077903934 /nfs/dbraw/zinc/90/39/34/1077903934.db2.gz XCEPOTJQNZLJHH-YWCZOLQUSA-N 1 2 402.495 0.619 20 0 HCADLO C[C@@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000993249323 1077903977 /nfs/dbraw/zinc/90/39/77/1077903977.db2.gz XLPWQRIOQQRGTH-MYJBXWICSA-N 1 2 402.495 0.701 20 0 HCADLO C[C@@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000993249323 1077903972 /nfs/dbraw/zinc/90/39/72/1077903972.db2.gz XLPWQRIOQQRGTH-MYJBXWICSA-N 1 2 402.495 0.701 20 0 HCADLO Cn1cnc([C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000993531140 1078039743 /nfs/dbraw/zinc/03/97/43/1078039743.db2.gz LGTMZLDRSWAYFH-KUHLVNLDSA-N 1 2 424.505 0.610 20 0 HCADLO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2NC(=O)Cc2c[nH+]cn2C)c1 ZINC000993548337 1078040749 /nfs/dbraw/zinc/04/07/49/1078040749.db2.gz JMUFMFIQIJTTDM-FHVBJURUSA-N 1 2 424.505 0.230 20 0 HCADLO Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000993549481 1078041107 /nfs/dbraw/zinc/04/11/07/1078041107.db2.gz AYQOOSDINBGLOY-FHVBJURUSA-N 1 2 424.505 0.230 20 0 HCADLO Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000993551000 1078041214 /nfs/dbraw/zinc/04/12/14/1078041214.db2.gz XVPARCMYKKWDDM-GITGPQGGSA-N 1 2 410.478 0.151 20 0 HCADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993551794 1078041493 /nfs/dbraw/zinc/04/14/93/1078041493.db2.gz CFMZZIAYSYIWJG-FIXBMVHOSA-N 1 2 424.505 0.528 20 0 HCADLO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2NC(=O)Cn2cc[nH+]c2)c1 ZINC000993555575 1078041782 /nfs/dbraw/zinc/04/17/82/1078041782.db2.gz PIZQUQFKKHUXOZ-GITGPQGGSA-N 1 2 410.478 0.151 20 0 HCADLO Cn1cnc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000993555833 1078041634 /nfs/dbraw/zinc/04/16/34/1078041634.db2.gz TVOOUDKPVMQBCK-FHVBJURUSA-N 1 2 424.505 0.541 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000993580018 1078040972 /nfs/dbraw/zinc/04/09/72/1078040972.db2.gz VRXIOTVFCAYDCO-DOEOUOAPSA-N 1 2 402.495 0.682 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993580646 1078040924 /nfs/dbraw/zinc/04/09/24/1078040924.db2.gz GZANNKKMWLNCEK-PZEIRFODSA-N 1 2 407.474 0.963 20 0 HCADLO CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000993580687 1078040997 /nfs/dbraw/zinc/04/09/97/1078040997.db2.gz HXWITQFJKOBEES-GXAQHZSOSA-N 1 2 404.511 0.928 20 0 HCADLO Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000993581780 1078041011 /nfs/dbraw/zinc/04/10/11/1078041011.db2.gz XKRVLCTVBNKMFQ-GITGPQGGSA-N 1 2 410.478 0.220 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000993582807 1078041068 /nfs/dbraw/zinc/04/10/68/1078041068.db2.gz BHOHZXHOFXLBEK-IETPZCKNSA-N 1 2 402.451 0.286 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993583182 1078040959 /nfs/dbraw/zinc/04/09/59/1078040959.db2.gz IPBBOMGNVREUAX-MNHMMDCCSA-N 1 2 414.462 0.142 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993583698 1078041094 /nfs/dbraw/zinc/04/10/94/1078041094.db2.gz LWOPQXPJLFKWJM-PUGGRQBNSA-N 1 2 424.461 0.064 20 0 HCADLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)no1 ZINC000993583759 1078041031 /nfs/dbraw/zinc/04/10/31/1078041031.db2.gz NLOFDYOEOVBTRQ-CTCGLCKVSA-N 1 2 411.462 0.864 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993584208 1078040941 /nfs/dbraw/zinc/04/09/41/1078040941.db2.gz QHSCSOFASCZQJB-PZEIRFODSA-N 1 2 423.473 0.201 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993584358 1078041051 /nfs/dbraw/zinc/04/10/51/1078041051.db2.gz RJNIVVSZFWYZJU-WWQSBEOESA-N 1 2 407.474 0.963 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000993584446 1078040909 /nfs/dbraw/zinc/04/09/09/1078040909.db2.gz HNKKVPPYIGBNQD-VDCDIQELSA-N 1 2 402.495 0.825 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993584481 1078041139 /nfs/dbraw/zinc/04/11/39/1078041139.db2.gz JBJBZHCCERHHPV-PZEIRFODSA-N 1 2 414.506 0.681 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000993584505 1078041076 /nfs/dbraw/zinc/04/10/76/1078041076.db2.gz KAGYBFRCMJNXBY-GXAQHZSOSA-N 1 2 402.495 0.682 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993585640 1078041125 /nfs/dbraw/zinc/04/11/25/1078041125.db2.gz FQQKWASHONBYNV-JPZLZDEASA-N 1 2 410.478 0.151 20 0 HCADLO Cc1c(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cnn1C ZINC000993586141 1078045051 /nfs/dbraw/zinc/04/50/51/1078045051.db2.gz IRVKTQNTAOCGJE-NBJKDTBSSA-N 1 2 424.505 0.610 20 0 HCADLO Cn1cccc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993586909 1078045084 /nfs/dbraw/zinc/04/50/84/1078045084.db2.gz NZXWOIWKBPFMAV-SQRQQCQWSA-N 1 2 409.490 0.906 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993587250 1078044847 /nfs/dbraw/zinc/04/48/47/1078044847.db2.gz HBDFRFYXXMJWSI-PZEIRFODSA-N 1 2 407.474 0.963 20 0 HCADLO Cn1cc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cn1 ZINC000993590228 1078045062 /nfs/dbraw/zinc/04/50/62/1078045062.db2.gz FMWHDBQSFFNJLR-LVWNYPIZSA-N 1 2 424.505 0.230 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993590232 1078045028 /nfs/dbraw/zinc/04/50/28/1078045028.db2.gz DXPIVWGSOHOXOA-CTCGLCKVSA-N 1 2 408.462 0.358 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993590280 1078045014 /nfs/dbraw/zinc/04/50/14/1078045014.db2.gz GUGTWNLKRPNXHO-PZEIRFODSA-N 1 2 412.490 0.948 20 0 HCADLO Cc1ncncc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993590738 1078044952 /nfs/dbraw/zinc/04/49/52/1078044952.db2.gz HFUGROFXQLUFQS-NBJKDTBSSA-N 1 2 422.489 0.666 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000993590799 1078044975 /nfs/dbraw/zinc/04/49/75/1078044975.db2.gz IMCLSZIYOOYEGE-NYUIVRSMSA-N 1 2 402.480 0.564 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993591474 1078044916 /nfs/dbraw/zinc/04/49/16/1078044916.db2.gz JVAAOAOJBCKHOC-LIJDOKLZSA-N 1 2 414.491 0.419 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993592759 1078045040 /nfs/dbraw/zinc/04/50/40/1078045040.db2.gz SHLMGHONUWIRPZ-QRUNDRTFSA-N 1 2 410.478 0.301 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993592967 1078045072 /nfs/dbraw/zinc/04/50/72/1078045072.db2.gz UWMSLKCHYUANIE-YIDKKUFYSA-N 1 2 414.491 0.419 20 0 HCADLO Cc1cnc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cn1 ZINC000993593440 1078045095 /nfs/dbraw/zinc/04/50/95/1078045095.db2.gz UDRPZXKWIKNLGQ-WWQSBEOESA-N 1 2 422.489 0.666 20 0 HCADLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)on1 ZINC000993593660 1078044897 /nfs/dbraw/zinc/04/48/97/1078044897.db2.gz PSSXJCPJWLCLSY-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000993593663 1078044988 /nfs/dbraw/zinc/04/49/88/1078044988.db2.gz XQGPJPYXKAGAND-HVNMYJMUSA-N 1 2 402.480 0.564 20 0 HCADLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[nH]n1 ZINC000993593677 1078044937 /nfs/dbraw/zinc/04/49/37/1078044937.db2.gz XVJXJYQSMNERFJ-CTCGLCKVSA-N 1 2 410.478 0.599 20 0 HCADLO Cc1ocnc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993594591 1078045309 /nfs/dbraw/zinc/04/53/09/1078045309.db2.gz AOEOEGLDJXXJCQ-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO CC(C)=CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000993594593 1078044965 /nfs/dbraw/zinc/04/49/65/1078044965.db2.gz WTSIOGAKHFWDHC-GXAQHZSOSA-N 1 2 402.495 0.848 20 0 HCADLO Cn1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cn1 ZINC000993594761 1078045213 /nfs/dbraw/zinc/04/52/13/1078045213.db2.gz UORWNOZRKISZRL-XHAXUUNYSA-N 1 2 410.478 0.301 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993595078 1078045331 /nfs/dbraw/zinc/04/53/31/1078045331.db2.gz ALHWXCJOVLIVCP-JPZLZDEASA-N 1 2 411.462 0.485 20 0 HCADLO CCc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[nH]n1 ZINC000993595187 1078045288 /nfs/dbraw/zinc/04/52/88/1078045288.db2.gz HKBZRADNLMBNEV-WWQSBEOESA-N 1 2 424.505 0.853 20 0 HCADLO C/C=C(/C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000993595895 1078045370 /nfs/dbraw/zinc/04/53/70/1078045370.db2.gz DPAPSTAGNBXEEV-BANUEVFQSA-N 1 2 402.495 0.848 20 0 HCADLO C/C=C(\C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000993595900 1078045189 /nfs/dbraw/zinc/04/51/89/1078045189.db2.gz DPAPSTAGNBXEEV-UZPSMCQASA-N 1 2 402.495 0.848 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993595999 1078045199 /nfs/dbraw/zinc/04/51/99/1078045199.db2.gz HIMXTHXSJGTDEA-UMAXZENGSA-N 1 2 414.506 0.869 20 0 HCADLO Cc1nc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c[nH]1 ZINC000993596117 1078045233 /nfs/dbraw/zinc/04/52/33/1078045233.db2.gz IKUPXPXDEXDUDF-CTCGLCKVSA-N 1 2 410.478 0.599 20 0 HCADLO CCn1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cn1 ZINC000993597263 1078045263 /nfs/dbraw/zinc/04/52/63/1078045263.db2.gz RLNRAWVOKOVLMD-PZEIRFODSA-N 1 2 424.505 0.784 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993597308 1078045397 /nfs/dbraw/zinc/04/53/97/1078045397.db2.gz AGBOCXNILPDAER-JPZLZDEASA-N 1 2 423.473 0.669 20 0 HCADLO Cc1[nH]nc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1C ZINC000993597732 1078042183 /nfs/dbraw/zinc/04/21/83/1078042183.db2.gz VKLJCLCPTQHDAV-JPZLZDEASA-N 1 2 424.505 0.908 20 0 HCADLO Cc1nn(C)cc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993597934 1078042236 /nfs/dbraw/zinc/04/22/36/1078042236.db2.gz YMPPWGCPELMROW-NBJKDTBSSA-N 1 2 424.505 0.610 20 0 HCADLO Cc1cc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[nH]n1 ZINC000993598673 1078042107 /nfs/dbraw/zinc/04/21/07/1078042107.db2.gz LICUOMSUJHKTJR-LVWNYPIZSA-N 1 2 424.505 0.528 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993599866 1078042085 /nfs/dbraw/zinc/04/20/85/1078042085.db2.gz XRZLTMNWADNLEU-LVWNYPIZSA-N 1 2 424.505 0.541 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993600661 1078042168 /nfs/dbraw/zinc/04/21/68/1078042168.db2.gz GSOVWHIHTQZGES-AAPVJJEZSA-N 1 2 421.501 0.892 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993600665 1078042212 /nfs/dbraw/zinc/04/22/12/1078042212.db2.gz CLLCFDGXAWBWSF-JPZLZDEASA-N 1 2 414.506 0.559 20 0 HCADLO Cn1cnc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC000993600864 1078042146 /nfs/dbraw/zinc/04/21/46/1078042146.db2.gz HNTPSDQPFDVUDK-QRUNDRTFSA-N 1 2 410.478 0.301 20 0 HCADLO Cn1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC000993600990 1078042261 /nfs/dbraw/zinc/04/22/61/1078042261.db2.gz JSXCKBNGMUHMAK-PZEIRFODSA-N 1 2 409.490 0.906 20 0 HCADLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n(C)n1 ZINC000993601145 1078042247 /nfs/dbraw/zinc/04/22/47/1078042247.db2.gz IVKLLDRUYRGAKG-SQRQQCQWSA-N 1 2 424.505 0.610 20 0 HCADLO Cc1c[nH]nc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993601209 1078042199 /nfs/dbraw/zinc/04/21/99/1078042199.db2.gz FLIOXFCJXLWWQG-MNHMMDCCSA-N 1 2 410.478 0.599 20 0 HCADLO Cn1cncc1[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993601429 1078042343 /nfs/dbraw/zinc/04/23/43/1078042343.db2.gz KTLQKVDYJPIENB-SXPIZTRQSA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993601429 1078042339 /nfs/dbraw/zinc/04/23/39/1078042339.db2.gz KTLQKVDYJPIENB-SXPIZTRQSA-N 1 2 424.505 0.610 20 0 HCADLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)ncn1 ZINC000993602772 1078042440 /nfs/dbraw/zinc/04/24/40/1078042440.db2.gz QYNBHAKVDWANPZ-WWQSBEOESA-N 1 2 422.489 0.666 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000993603013 1078042395 /nfs/dbraw/zinc/04/23/95/1078042395.db2.gz QZLLUPMTRUBFQB-HBPKQKSZSA-N 1 2 402.495 0.703 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000993603089 1078042481 /nfs/dbraw/zinc/04/24/81/1078042481.db2.gz PCLVWOLYOXZZMV-FXZJEQNSSA-N 1 2 404.511 0.807 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993603424 1078042329 /nfs/dbraw/zinc/04/23/29/1078042329.db2.gz SISRJBWTVLYYIO-MNHMMDCCSA-N 1 2 402.495 0.415 20 0 HCADLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1C ZINC000993603507 1078042576 /nfs/dbraw/zinc/04/25/76/1078042576.db2.gz PJUDXTUNPZSUAN-WWQSBEOESA-N 1 2 424.505 0.610 20 0 HCADLO Cc1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC000993604372 1078042589 /nfs/dbraw/zinc/04/25/89/1078042589.db2.gz ABDMBRHHMKRIHD-WWQSBEOESA-N 1 2 422.489 0.666 20 0 HCADLO Cc1ccnc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC000993604377 1078042409 /nfs/dbraw/zinc/04/24/09/1078042409.db2.gz VXKPIEDJRWCELA-XHAXUUNYSA-N 1 2 422.489 0.666 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993604804 1078042460 /nfs/dbraw/zinc/04/24/60/1078042460.db2.gz YXSPFNZNJBNXFM-JPZLZDEASA-N 1 2 410.478 0.220 20 0 HCADLO CCn1ccnc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993604852 1078042495 /nfs/dbraw/zinc/04/24/95/1078042495.db2.gz CEBSPODPSIZHGB-XHAXUUNYSA-N 1 2 424.505 0.784 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993604987 1078042355 /nfs/dbraw/zinc/04/23/55/1078042355.db2.gz DDRPQGBNUSIXSQ-LVWNYPIZSA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993605131 1078042366 /nfs/dbraw/zinc/04/23/66/1078042366.db2.gz DVZXFDXOQIXPRL-LVWNYPIZSA-N 1 2 424.505 0.230 20 0 HCADLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cnn1 ZINC000993605164 1078042423 /nfs/dbraw/zinc/04/24/23/1078042423.db2.gz FCXGQPCJKMCSNO-PZEIRFODSA-N 1 2 422.489 0.666 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993605946 1078042664 /nfs/dbraw/zinc/04/26/64/1078042664.db2.gz JMAPLSXZKKNJEB-LVWNYPIZSA-N 1 2 422.489 0.287 20 0 HCADLO Cc1cnn(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC000993606028 1078042706 /nfs/dbraw/zinc/04/27/06/1078042706.db2.gz ZXKURTVPKXCVRI-LVWNYPIZSA-N 1 2 424.505 0.459 20 0 HCADLO Cc1cn(C)nc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993606035 1078042676 /nfs/dbraw/zinc/04/26/76/1078042676.db2.gz IZHSHRBIVGQCIK-JPZLZDEASA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993606329 1078042832 /nfs/dbraw/zinc/04/28/32/1078042832.db2.gz LIZYSBWIEQYJDY-XHAXUUNYSA-N 1 2 408.462 0.358 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000993606650 1078042649 /nfs/dbraw/zinc/04/26/49/1078042649.db2.gz NIOMTWLOGDFMOC-VDCDIQELSA-N 1 2 400.479 0.745 20 0 HCADLO Cc1nccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC000993607392 1078042893 /nfs/dbraw/zinc/04/28/93/1078042893.db2.gz RJGJOVHZWAEPSD-WWQSBEOESA-N 1 2 422.489 0.666 20 0 HCADLO Cc1ccnn1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993607522 1078042788 /nfs/dbraw/zinc/04/27/88/1078042788.db2.gz ONGXOCMIGOJBLG-LVWNYPIZSA-N 1 2 424.505 0.459 20 0 HCADLO Cn1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC000993607528 1078042799 /nfs/dbraw/zinc/04/27/99/1078042799.db2.gz OOKOKXWRMTVDMT-CTCGLCKVSA-N 1 2 410.478 0.301 20 0 HCADLO Cc1ncoc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993607602 1078042753 /nfs/dbraw/zinc/04/27/53/1078042753.db2.gz SWJUZOUMBRRGEG-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO CCn1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC000993607730 1078042720 /nfs/dbraw/zinc/04/27/20/1078042720.db2.gz QQGAKSWZHPXTCR-WWQSBEOESA-N 1 2 424.505 0.784 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993607780 1078042819 /nfs/dbraw/zinc/04/28/19/1078042819.db2.gz NVUGLECCLCZHMI-LVWNYPIZSA-N 1 2 409.490 0.825 20 0 HCADLO Cc1c[nH]c(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC000993608233 1078042765 /nfs/dbraw/zinc/04/27/65/1078042765.db2.gz WNJHMTJKGUYPTF-UMAXZENGSA-N 1 2 410.478 0.599 20 0 HCADLO Cc1nc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)co1 ZINC000993608594 1078042691 /nfs/dbraw/zinc/04/26/91/1078042691.db2.gz UAONFZSETMPRNY-QRUNDRTFSA-N 1 2 411.462 0.864 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993608609 1078042776 /nfs/dbraw/zinc/04/27/76/1078042776.db2.gz UOYUESVVBFPSBP-PZEIRFODSA-N 1 2 412.490 0.601 20 0 HCADLO CCn1nccc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993608629 1078042861 /nfs/dbraw/zinc/04/28/61/1078042861.db2.gz VDKVFVJAFIGKSR-SQRQQCQWSA-N 1 2 424.505 0.784 20 0 HCADLO Cn1ccc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC000993609204 1078042810 /nfs/dbraw/zinc/04/28/10/1078042810.db2.gz YXZHPYGKZOLRRN-LVWNYPIZSA-N 1 2 424.505 0.230 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993609311 1078043213 /nfs/dbraw/zinc/04/32/13/1078043213.db2.gz YNVMKURZTCLARM-UPFITXQZSA-N 1 2 423.473 0.669 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993609621 1078043133 /nfs/dbraw/zinc/04/31/33/1078043133.db2.gz DHRIJHIQYVDYJK-AJSPFTQQSA-N 1 2 424.461 0.064 20 0 HCADLO Cc1ncn(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993610801 1078042972 /nfs/dbraw/zinc/04/29/72/1078042972.db2.gz JXVQBMDPZCJBAQ-JPZLZDEASA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993611006 1078043037 /nfs/dbraw/zinc/04/30/37/1078043037.db2.gz MPVOUUVMWZYBEF-MNHMMDCCSA-N 1 2 424.461 0.064 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000993611409 1078043023 /nfs/dbraw/zinc/04/30/23/1078043023.db2.gz HXPJHYUJUFWXNA-ZNFSNMQZSA-N 1 2 402.495 0.682 20 0 HCADLO Cn1cncc1[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993614676 1078043105 /nfs/dbraw/zinc/04/31/05/1078043105.db2.gz GNGFXOMJIWTQIS-LVWNYPIZSA-N 1 2 424.505 0.541 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000993614742 1078042951 /nfs/dbraw/zinc/04/29/51/1078042951.db2.gz HQOHKRCOIAZUSK-ZPFNRVMVSA-N 1 2 402.480 0.564 20 0 HCADLO Cc1nnccc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993614779 1078043008 /nfs/dbraw/zinc/04/30/08/1078043008.db2.gz IVKSWVIPRCUYMC-PZEIRFODSA-N 1 2 422.489 0.666 20 0 HCADLO Cn1cncc1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993615113 1078043120 /nfs/dbraw/zinc/04/31/20/1078043120.db2.gz WQEPNVAHHZUODW-LVWNYPIZSA-N 1 2 424.505 0.230 20 0 HCADLO CCn1cnc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC000993615904 1078043088 /nfs/dbraw/zinc/04/30/88/1078043088.db2.gz SOFFUBPYDYGZPG-SQRQQCQWSA-N 1 2 424.505 0.784 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993616277 1078043154 /nfs/dbraw/zinc/04/31/54/1078043154.db2.gz VMVDADHPZUDIEE-WFBNRANISA-N 1 2 414.491 0.419 20 0 HCADLO Cn1cncc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993616655 1078043049 /nfs/dbraw/zinc/04/30/49/1078043049.db2.gz AHEZMQXGQRNLOQ-QRUNDRTFSA-N 1 2 410.478 0.301 20 0 HCADLO Cc1nonc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993616747 1078043183 /nfs/dbraw/zinc/04/31/83/1078043183.db2.gz AWAPMZMBPQPLRD-BIPJRYNTSA-N 1 2 412.450 0.259 20 0 HCADLO Cc1nonc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000993616941 1078043070 /nfs/dbraw/zinc/04/30/70/1078043070.db2.gz CYCSMYKJVWEYEP-PAURTPPISA-N 1 2 400.439 0.403 20 0 HCADLO CCc1n[nH]cc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993617218 1078043059 /nfs/dbraw/zinc/04/30/59/1078043059.db2.gz SLQKTOMICSWDSQ-QMWBJRNUSA-N 1 2 424.505 0.853 20 0 HCADLO Cc1cnn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993617623 1078043168 /nfs/dbraw/zinc/04/31/68/1078043168.db2.gz BCKJQKMSOLCBRW-JPZLZDEASA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000993617651 1078043429 /nfs/dbraw/zinc/04/34/29/1078043429.db2.gz BGMGSFLMEODEJE-BTJCNNBASA-N 1 2 412.490 0.147 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ccc(=O)[nH]n1 ZINC000993617675 1078043375 /nfs/dbraw/zinc/04/33/75/1078043375.db2.gz BIDVTGPPUZFMCL-PUGGRQBNSA-N 1 2 424.461 0.064 20 0 HCADLO Cc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993617688 1078043364 /nfs/dbraw/zinc/04/33/64/1078043364.db2.gz BJIDEPSYSJZVKO-CTCGLCKVSA-N 1 2 411.462 0.864 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)C1=COCCC1 ZINC000993617703 1078043522 /nfs/dbraw/zinc/04/35/22/1078043522.db2.gz BNFJJBMOIUYQIQ-PZEIRFODSA-N 1 2 412.490 0.948 20 0 HCADLO Cn1cncc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993617733 1078043271 /nfs/dbraw/zinc/04/32/71/1078043271.db2.gz BQDCOTGOWXXFTA-LVWNYPIZSA-N 1 2 424.505 0.230 20 0 HCADLO Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)co1 ZINC000993617762 1078043293 /nfs/dbraw/zinc/04/32/93/1078043293.db2.gz CAPXWIFUZMLHAG-QRUNDRTFSA-N 1 2 411.462 0.864 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cccnn1 ZINC000993617774 1078043509 /nfs/dbraw/zinc/04/35/09/1078043509.db2.gz CDBQNRVDMVBDHM-CTCGLCKVSA-N 1 2 408.462 0.358 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)ncn1 ZINC000993617854 1078043407 /nfs/dbraw/zinc/04/34/07/1078043407.db2.gz DHLSBICOITVMGC-WWQSBEOESA-N 1 2 422.489 0.666 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC000993617877 1078043334 /nfs/dbraw/zinc/04/33/34/1078043334.db2.gz DIYUGSSGVLKTKN-LTIWMGKSSA-N 1 2 410.478 0.220 20 0 HCADLO Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993617920 1078043495 /nfs/dbraw/zinc/04/34/95/1078043495.db2.gz DSQXVFGBQIIPPN-SQRQQCQWSA-N 1 2 409.490 0.906 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cc1ccnn1C ZINC000993617940 1078043417 /nfs/dbraw/zinc/04/34/17/1078043417.db2.gz DXKKXYQABRTBDQ-LVWNYPIZSA-N 1 2 424.505 0.230 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)no1 ZINC000993617945 1078043320 /nfs/dbraw/zinc/04/33/20/1078043320.db2.gz DYNCZHAKSWPIIR-CTCGLCKVSA-N 1 2 411.462 0.864 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cnns1 ZINC000993617970 1078043348 /nfs/dbraw/zinc/04/33/48/1078043348.db2.gz FKADVDJPZIASKX-LIJDOKLZSA-N 1 2 414.491 0.419 20 0 HCADLO Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n1 ZINC000993617974 1078043281 /nfs/dbraw/zinc/04/32/81/1078043281.db2.gz FNBVALIPHUFWLA-LVWNYPIZSA-N 1 2 424.505 0.459 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)on1 ZINC000993617982 1078043468 /nfs/dbraw/zinc/04/34/68/1078043468.db2.gz FQFIWFFMJQZWNQ-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO Cc1conc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993617984 1078043309 /nfs/dbraw/zinc/04/33/09/1078043309.db2.gz FRSSQPYTZBVOOU-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO CCn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)c1 ZINC000993617991 1078043444 /nfs/dbraw/zinc/04/34/44/1078043444.db2.gz FWOINLFMTBKNCD-SQRQQCQWSA-N 1 2 424.505 0.784 20 0 HCADLO Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)cnn1C ZINC000993617995 1078043481 /nfs/dbraw/zinc/04/34/81/1078043481.db2.gz FYGQIRZPDJIFSS-NBJKDTBSSA-N 1 2 424.505 0.610 20 0 HCADLO Cc1nc[nH]c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993618181 1078043732 /nfs/dbraw/zinc/04/37/32/1078043732.db2.gz YJWUSGKLAJJRRD-MNHMMDCCSA-N 1 2 410.478 0.599 20 0 HCADLO Cc1ncoc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993618474 1078043692 /nfs/dbraw/zinc/04/36/92/1078043692.db2.gz HIXRDYAAQJNHAF-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000993618511 1078043766 /nfs/dbraw/zinc/04/37/66/1078043766.db2.gz HRJWZZVBNJXNGS-RWJWTFOLSA-N 1 2 414.441 0.430 20 0 HCADLO CCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n1 ZINC000993618633 1078043808 /nfs/dbraw/zinc/04/38/08/1078043808.db2.gz IXCHVPDKZUCABN-WWQSBEOESA-N 1 2 424.505 0.784 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cc1ccon1 ZINC000993618697 1078043610 /nfs/dbraw/zinc/04/36/10/1078043610.db2.gz JKUDPIUIAIQIGM-JPZLZDEASA-N 1 2 411.462 0.485 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)nn1C ZINC000993618707 1078043705 /nfs/dbraw/zinc/04/37/05/1078043705.db2.gz JLOKKJBPFJALDZ-WWQSBEOESA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cnsn1 ZINC000993618722 1078043596 /nfs/dbraw/zinc/04/35/96/1078043596.db2.gz JQSPPRNHBSMSMS-YIDKKUFYSA-N 1 2 414.491 0.419 20 0 HCADLO Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993618748 1078043717 /nfs/dbraw/zinc/04/37/17/1078043717.db2.gz JWYXOBWRRWSENG-LVWNYPIZSA-N 1 2 424.505 0.459 20 0 HCADLO Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)c1 ZINC000993618796 1078043743 /nfs/dbraw/zinc/04/37/43/1078043743.db2.gz KOLOJYSOUUERGW-LVWNYPIZSA-N 1 2 424.505 0.459 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ncccn1 ZINC000993618804 1078043819 /nfs/dbraw/zinc/04/38/19/1078043819.db2.gz KRSCXZWZMFTGOK-UMAXZENGSA-N 1 2 408.462 0.358 20 0 HCADLO CCn1ccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993618822 1078043795 /nfs/dbraw/zinc/04/37/95/1078043795.db2.gz KWOLDXHEFBMBTF-XHAXUUNYSA-N 1 2 424.505 0.784 20 0 HCADLO CCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993619249 1078043583 /nfs/dbraw/zinc/04/35/83/1078043583.db2.gz KZWKQFZZCQAUNX-SQRQQCQWSA-N 1 2 424.505 0.784 20 0 HCADLO Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)[nH]1 ZINC000993619257 1078043648 /nfs/dbraw/zinc/04/36/48/1078043648.db2.gz LAPMWLGDUMXITF-JPZLZDEASA-N 1 2 424.505 0.908 20 0 HCADLO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n1 ZINC000993619272 1078043678 /nfs/dbraw/zinc/04/36/78/1078043678.db2.gz LFOJLQUAGMAPAG-CTCGLCKVSA-N 1 2 410.478 0.301 20 0 HCADLO Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)[nH]1 ZINC000993619281 1078043638 /nfs/dbraw/zinc/04/36/38/1078043638.db2.gz LFZXZXWEUGCTJA-CTCGLCKVSA-N 1 2 410.478 0.599 20 0 HCADLO Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)c1C ZINC000993619317 1078043780 /nfs/dbraw/zinc/04/37/80/1078043780.db2.gz LJZJESYCIBTASF-JPZLZDEASA-N 1 2 424.505 0.908 20 0 HCADLO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993619363 1078043754 /nfs/dbraw/zinc/04/37/54/1078043754.db2.gz LURRXEVQXQXIDL-BIPJRYNTSA-N 1 2 412.450 0.259 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1csnn1 ZINC000993619374 1078043838 /nfs/dbraw/zinc/04/38/38/1078043838.db2.gz MBIGOJJCUJMGOE-WFBNRANISA-N 1 2 414.491 0.419 20 0 HCADLO Cc1ocnc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993619426 1078043624 /nfs/dbraw/zinc/04/36/24/1078043624.db2.gz MDPVSENMAPPISV-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993619450 1078044040 /nfs/dbraw/zinc/04/40/40/1078044040.db2.gz MELVVSVYEBUHNK-JPZLZDEASA-N 1 2 424.505 0.610 20 0 HCADLO Cc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)cn1 ZINC000993619495 1078044025 /nfs/dbraw/zinc/04/40/25/1078044025.db2.gz MKHWMXDRAWJYHN-WWQSBEOESA-N 1 2 422.489 0.666 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cc1ccc[nH]1 ZINC000993619528 1078043975 /nfs/dbraw/zinc/04/39/75/1078043975.db2.gz MODVZWKYXWSKQO-LVWNYPIZSA-N 1 2 409.490 0.825 20 0 HCADLO CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993619560 1078043938 /nfs/dbraw/zinc/04/39/38/1078043938.db2.gz MPJIWGACNNXPFX-QMWBJRNUSA-N 1 2 424.505 0.853 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cn[nH]c(=O)c1 ZINC000993619571 1078044099 /nfs/dbraw/zinc/04/40/99/1078044099.db2.gz MTBMALDLOOGDMH-MNHMMDCCSA-N 1 2 424.461 0.064 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cc[n+]([O-])cc1 ZINC000993619678 1078044073 /nfs/dbraw/zinc/04/40/73/1078044073.db2.gz NHXJDHLVZUTKEH-PZEIRFODSA-N 1 2 423.473 0.201 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)C1=COCCO1 ZINC000993619686 1078044146 /nfs/dbraw/zinc/04/41/46/1078044146.db2.gz NIGUKBXIYAWHDS-MNHMMDCCSA-N 1 2 414.462 0.142 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cn1cccn1 ZINC000993619702 1078044084 /nfs/dbraw/zinc/04/40/84/1078044084.db2.gz NPLOPMBVRCYTHX-JPZLZDEASA-N 1 2 410.478 0.151 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cc1cnoc1 ZINC000993619776 1078044157 /nfs/dbraw/zinc/04/41/57/1078044157.db2.gz OEXLGYPHRLUJSH-JPZLZDEASA-N 1 2 411.462 0.485 20 0 HCADLO Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993619802 1078043964 /nfs/dbraw/zinc/04/39/64/1078043964.db2.gz ORRVLKVQIJEOPM-MNHMMDCCSA-N 1 2 410.478 0.599 20 0 HCADLO Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)nn1 ZINC000993619805 1078043950 /nfs/dbraw/zinc/04/39/50/1078043950.db2.gz OSSPEVZWTNQJMZ-WWQSBEOESA-N 1 2 422.489 0.666 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cnc[nH]c1=O ZINC000993619830 1078043988 /nfs/dbraw/zinc/04/39/88/1078043988.db2.gz PDRZUIQCCTVRJJ-AJSPFTQQSA-N 1 2 424.461 0.064 20 0 HCADLO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993619837 1078043921 /nfs/dbraw/zinc/04/39/21/1078043921.db2.gz PJNXVRKBJLQDFI-QRUNDRTFSA-N 1 2 410.478 0.301 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ccncn1 ZINC000993620691 1078044051 /nfs/dbraw/zinc/04/40/51/1078044051.db2.gz QRNFENYRQUIEJU-CTCGLCKVSA-N 1 2 408.462 0.358 20 0 HCADLO Cn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)cn1 ZINC000993620698 1078044126 /nfs/dbraw/zinc/04/41/26/1078044126.db2.gz QTJMBFTYTGWTHQ-LVWNYPIZSA-N 1 2 424.505 0.230 20 0 HCADLO Cc1cnoc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993620703 1078043906 /nfs/dbraw/zinc/04/39/06/1078043906.db2.gz QUTKJLDYZSBTBF-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993620708 1078044059 /nfs/dbraw/zinc/04/40/59/1078044059.db2.gz QVSVGPJHWQDUPN-NBJKDTBSSA-N 1 2 422.489 0.666 20 0 HCADLO Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n1C ZINC000993620716 1078044375 /nfs/dbraw/zinc/04/43/75/1078044375.db2.gz QWKPJSVCNQCIGK-SQRQQCQWSA-N 1 2 424.505 0.610 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)[nH]n1 ZINC000993620721 1078044304 /nfs/dbraw/zinc/04/43/04/1078044304.db2.gz QXKRJJGCNSTPCV-CTCGLCKVSA-N 1 2 410.478 0.599 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cnccn1 ZINC000993620746 1078044248 /nfs/dbraw/zinc/04/42/48/1078044248.db2.gz RBPJSRAARVANAU-CTCGLCKVSA-N 1 2 408.462 0.358 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ccnn1C ZINC000993620756 1078044315 /nfs/dbraw/zinc/04/43/15/1078044315.db2.gz REEUJBNJDRWOBA-QRUNDRTFSA-N 1 2 410.478 0.301 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC000993620773 1078044260 /nfs/dbraw/zinc/04/42/60/1078044260.db2.gz RMNDUUZKVHSDBI-UPFITXQZSA-N 1 2 423.473 0.669 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC000993620784 1078044288 /nfs/dbraw/zinc/04/42/88/1078044288.db2.gz RSBZUAGACCAWAU-JPZLZDEASA-N 1 2 423.473 0.669 20 0 HCADLO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)c1 ZINC000993620796 1078044389 /nfs/dbraw/zinc/04/43/89/1078044389.db2.gz RWQLSDIRUDNWJH-QRUNDRTFSA-N 1 2 410.478 0.301 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1NC(=O)c1cnon1 ZINC000993620801 1078044272 /nfs/dbraw/zinc/04/42/72/1078044272.db2.gz SCAKOHQHVDEUKW-MQZQPLMUSA-N 1 2 400.439 0.343 20 0 HCADLO Cc1nccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n1 ZINC000993620826 1078044405 /nfs/dbraw/zinc/04/44/05/1078044405.db2.gz SSWCLMYYQCRTCO-WWQSBEOESA-N 1 2 422.489 0.666 20 0 HCADLO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)cn1 ZINC000993620842 1078044419 /nfs/dbraw/zinc/04/44/19/1078044419.db2.gz TYQKROSSANAMBB-XHAXUUNYSA-N 1 2 410.478 0.301 20 0 HCADLO Cc1c[nH]nc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993620850 1078044222 /nfs/dbraw/zinc/04/42/22/1078044222.db2.gz UACFACRMGWZGDS-MNHMMDCCSA-N 1 2 410.478 0.599 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cc1cncnc1 ZINC000993620855 1078044445 /nfs/dbraw/zinc/04/44/45/1078044445.db2.gz UBWDLNXRJLZNTM-LVWNYPIZSA-N 1 2 422.489 0.287 20 0 HCADLO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000993620859 1078044329 /nfs/dbraw/zinc/04/43/29/1078044329.db2.gz UDCSQJOTJBOHSS-JPZLZDEASA-N 1 2 410.478 0.151 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC000993620862 1078044234 /nfs/dbraw/zinc/04/42/34/1078044234.db2.gz UDDNOECULWGIEZ-JPZLZDEASA-N 1 2 423.473 0.669 20 0 HCADLO Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n1 ZINC000993620866 1078044351 /nfs/dbraw/zinc/04/43/51/1078044351.db2.gz UDFAWPUTNDNDMJ-UMAXZENGSA-N 1 2 410.478 0.599 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cc1cccnc1 ZINC000993620874 1078044431 /nfs/dbraw/zinc/04/44/31/1078044431.db2.gz UFBNLBQKGKMHQQ-AAPVJJEZSA-N 1 2 421.501 0.892 20 0 HCADLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993620877 1078044364 /nfs/dbraw/zinc/04/43/64/1078044364.db2.gz UFVFOSCMIRNOQW-JPZLZDEASA-N 1 2 424.505 0.908 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cncnc1 ZINC000993620879 1078044467 /nfs/dbraw/zinc/04/44/67/1078044467.db2.gz UGRZCRTXCKBAIK-XHAXUUNYSA-N 1 2 408.462 0.358 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n(C)n1 ZINC000993620888 1078044342 /nfs/dbraw/zinc/04/43/42/1078044342.db2.gz ULLCKUCIPDWJHM-SQRQQCQWSA-N 1 2 424.505 0.610 20 0 HCADLO CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)cn1 ZINC000993620896 1078044534 /nfs/dbraw/zinc/04/45/34/1078044534.db2.gz USRNBNHUDGQZSV-PZEIRFODSA-N 1 2 424.505 0.784 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)C1=CCOCC1 ZINC000993620909 1078044680 /nfs/dbraw/zinc/04/46/80/1078044680.db2.gz VGJLOFHPSCHKNO-PZEIRFODSA-N 1 2 412.490 0.601 20 0 HCADLO Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993620912 1078044588 /nfs/dbraw/zinc/04/45/88/1078044588.db2.gz VGZZNKPQFREZRV-JPZLZDEASA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NC(=O)C1CCC1 ZINC000993621206 1078044577 /nfs/dbraw/zinc/04/45/77/1078044577.db2.gz HRHUSZIOFYKRCU-DOEOUOAPSA-N 1 2 402.495 0.682 20 0 HCADLO Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993621226 1078044735 /nfs/dbraw/zinc/04/47/35/1078044735.db2.gz SYCPBARTWGEYFL-JPZLZDEASA-N 1 2 410.478 0.151 20 0 HCADLO Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n1 ZINC000993621498 1078044776 /nfs/dbraw/zinc/04/47/76/1078044776.db2.gz VOIFTAGSQYBOQU-LVWNYPIZSA-N 1 2 424.505 0.230 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cccnc1 ZINC000993621513 1078044598 /nfs/dbraw/zinc/04/45/98/1078044598.db2.gz VRSRVMHCNWIEEQ-PZEIRFODSA-N 1 2 407.474 0.963 20 0 HCADLO Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n1 ZINC000993621518 1078044695 /nfs/dbraw/zinc/04/46/95/1078044695.db2.gz VRYJCFNHUSFFOG-XHAXUUNYSA-N 1 2 422.489 0.666 20 0 HCADLO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)c1 ZINC000993621522 1078044565 /nfs/dbraw/zinc/04/45/65/1078044565.db2.gz VSFHFFNFAFWXQD-PZEIRFODSA-N 1 2 409.490 0.906 20 0 HCADLO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)cnn1 ZINC000993621534 1078044751 /nfs/dbraw/zinc/04/47/51/1078044751.db2.gz VUHZTIYUJFOMCU-PZEIRFODSA-N 1 2 422.489 0.666 20 0 HCADLO Cc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993621579 1078044519 /nfs/dbraw/zinc/04/45/19/1078044519.db2.gz WITWZDUDHRKVOO-NBJKDTBSSA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ccnnc1 ZINC000993621582 1078044654 /nfs/dbraw/zinc/04/46/54/1078044654.db2.gz WIUVELYUFJMKPF-XHAXUUNYSA-N 1 2 408.462 0.358 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)C1CCOCC1 ZINC000993621585 1078044667 /nfs/dbraw/zinc/04/46/67/1078044667.db2.gz WJCDZQTVINUCMM-PZEIRFODSA-N 1 2 414.506 0.681 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ccncc1 ZINC000993621631 1078044609 /nfs/dbraw/zinc/04/46/09/1078044609.db2.gz WVEXLTPOQQQVHR-PZEIRFODSA-N 1 2 407.474 0.963 20 0 HCADLO CCc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993621676 1078044618 /nfs/dbraw/zinc/04/46/18/1078044618.db2.gz XDDNMYDSVFRMCV-UPFITXQZSA-N 1 2 424.505 0.853 20 0 HCADLO Cc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993621702 1078044763 /nfs/dbraw/zinc/04/47/63/1078044763.db2.gz XVFBESHPDAMKEI-ILZIJIGZSA-N 1 2 410.478 0.599 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000993621721 1078044550 /nfs/dbraw/zinc/04/45/50/1078044550.db2.gz YRBPLXZPNFPPAD-JPZLZDEASA-N 1 2 410.478 0.220 20 0 HCADLO Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)[nH]n1 ZINC000993621724 1078044725 /nfs/dbraw/zinc/04/47/25/1078044725.db2.gz YRKCMVAPKLLKJW-LVWNYPIZSA-N 1 2 424.505 0.528 20 0 HCADLO Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)n[nH]1 ZINC000993621724 1078044718 /nfs/dbraw/zinc/04/47/18/1078044718.db2.gz YRKCMVAPKLLKJW-LVWNYPIZSA-N 1 2 424.505 0.528 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ccccn1 ZINC000993621728 1078044858 /nfs/dbraw/zinc/04/48/58/1078044858.db2.gz YVCVLHXDKFPTLD-WWQSBEOESA-N 1 2 407.474 0.963 20 0 HCADLO CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2c[nH+]cn2C)[nH]n1 ZINC000993621736 1078044872 /nfs/dbraw/zinc/04/48/72/1078044872.db2.gz ZDAUEVDOCCAKIO-WWQSBEOESA-N 1 2 424.505 0.853 20 0 HCADLO Cc1nnccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1c[nH+]cn1C ZINC000993621753 1078045000 /nfs/dbraw/zinc/04/50/00/1078045000.db2.gz ZPEODEVSSGQXMZ-PZEIRFODSA-N 1 2 422.489 0.666 20 0 HCADLO Cc1n[nH]c(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993622600 1078045603 /nfs/dbraw/zinc/04/56/03/1078045603.db2.gz NTLSWYFHLSLFFE-JPZLZDEASA-N 1 2 424.505 0.908 20 0 HCADLO Cc1cnn(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993623261 1078045616 /nfs/dbraw/zinc/04/56/16/1078045616.db2.gz YVKQZBRGPPPODS-JPZLZDEASA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NC(=O)C1(C)CC1 ZINC000993623355 1078045510 /nfs/dbraw/zinc/04/55/10/1078045510.db2.gz RICXEYJWGPHKQF-ZNFSNMQZSA-N 1 2 402.495 0.682 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993624182 1078045583 /nfs/dbraw/zinc/04/55/83/1078045583.db2.gz FLXIHSRUTKCXDB-LTIWMGKSSA-N 1 2 410.478 0.220 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NC(=O)C(C)(C)C ZINC000993624252 1078045464 /nfs/dbraw/zinc/04/54/64/1078045464.db2.gz YMFPRUPGCNUZOG-ZNFSNMQZSA-N 1 2 404.511 0.928 20 0 HCADLO CCc1nc[nH]c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993624282 1078045528 /nfs/dbraw/zinc/04/55/28/1078045528.db2.gz ZEJDNBXZFKZHRX-UPFITXQZSA-N 1 2 424.505 0.853 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000993624911 1078045547 /nfs/dbraw/zinc/04/55/47/1078045547.db2.gz BTXWZCOUBUVYCI-ZNFSNMQZSA-N 1 2 404.511 0.928 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993625145 1078045495 /nfs/dbraw/zinc/04/54/95/1078045495.db2.gz FSUGISDKPLZDHD-JPZLZDEASA-N 1 2 423.473 0.669 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993625196 1078045629 /nfs/dbraw/zinc/04/56/29/1078045629.db2.gz HHBOGBWUOKBFNL-CTCGLCKVSA-N 1 2 408.462 0.358 20 0 HCADLO Cc1n[nH]cc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993625782 1078045881 /nfs/dbraw/zinc/04/58/81/1078045881.db2.gz WKWONXMOSBYGHE-ILZIJIGZSA-N 1 2 410.478 0.599 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993627704 1078045717 /nfs/dbraw/zinc/04/57/17/1078045717.db2.gz VLQDROVKOXCVEP-UMAXZENGSA-N 1 2 408.462 0.358 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000993627938 1078045788 /nfs/dbraw/zinc/04/57/88/1078045788.db2.gz XMFPUPJNSBZIJL-MQZQPLMUSA-N 1 2 400.439 0.343 20 0 HCADLO Cc1ncc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1C ZINC000993628735 1078045918 /nfs/dbraw/zinc/04/59/18/1078045918.db2.gz DSBRDJKVFRCCOM-SQRQQCQWSA-N 1 2 424.505 0.610 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)C1=CCOCC1 ZINC000993628806 1078045763 /nfs/dbraw/zinc/04/57/63/1078045763.db2.gz ADGOWUZKXGUYES-VDCDIQELSA-N 1 2 400.479 0.745 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)c1cnns1 ZINC000993628861 1078045907 /nfs/dbraw/zinc/04/59/07/1078045907.db2.gz CEGHRJXAYMROGF-HVNMYJMUSA-N 1 2 402.480 0.564 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000993628946 1078045749 /nfs/dbraw/zinc/04/57/49/1078045749.db2.gz FYVAKHFXCNKPQV-NYUIVRSMSA-N 1 2 402.430 0.574 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NC(=O)CC1CC1 ZINC000993629078 1078045870 /nfs/dbraw/zinc/04/58/70/1078045870.db2.gz ZFHGCTJACSDCQW-GXAQHZSOSA-N 1 2 402.495 0.682 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993629796 1078045701 /nfs/dbraw/zinc/04/57/01/1078045701.db2.gz ITDQVSZAHMKRQR-RWJWTFOLSA-N 1 2 414.441 0.430 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993630019 1078045893 /nfs/dbraw/zinc/04/58/93/1078045893.db2.gz JBOLXCFDIGFYEC-CTCGLCKVSA-N 1 2 408.462 0.358 20 0 HCADLO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1c[nH+]cn1C ZINC000993630880 1078045858 /nfs/dbraw/zinc/04/58/58/1078045858.db2.gz NUEGQUFDEVJPKL-PAURTPPISA-N 1 2 400.439 0.403 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993630986 1078045728 /nfs/dbraw/zinc/04/57/28/1078045728.db2.gz POORPLLKWFMKPE-XHAXUUNYSA-N 1 2 408.462 0.358 20 0 HCADLO Cc1nocc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993631010 1078045834 /nfs/dbraw/zinc/04/58/34/1078045834.db2.gz JOJOAJJJIBADHP-CTCGLCKVSA-N 1 2 411.462 0.864 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000993631046 1078045776 /nfs/dbraw/zinc/04/57/76/1078045776.db2.gz NHEVAKDIWFWIEV-NYUIVRSMSA-N 1 2 402.430 0.574 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993631242 1078045999 /nfs/dbraw/zinc/04/59/99/1078045999.db2.gz NWCYSDKUUKDPRA-JPZLZDEASA-N 1 2 411.462 0.485 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)c1csnn1 ZINC000993631592 1078046014 /nfs/dbraw/zinc/04/60/14/1078046014.db2.gz QHGJDAKOCQFWGO-ZPFNRVMVSA-N 1 2 402.480 0.564 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)C1CCOCC1 ZINC000993631625 1078046087 /nfs/dbraw/zinc/04/60/87/1078046087.db2.gz QYKGFWZLBHVRPE-VDCDIQELSA-N 1 2 402.495 0.825 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000993631676 1078046047 /nfs/dbraw/zinc/04/60/47/1078046047.db2.gz SFQSHUILDGJADX-IVANDREYSA-N 1 2 400.479 0.291 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)c1cnsn1 ZINC000993631714 1078046149 /nfs/dbraw/zinc/04/61/49/1078046149.db2.gz SXRAJEREBUKUAN-NYUIVRSMSA-N 1 2 402.480 0.564 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)C1=COCCO1 ZINC000993632525 1078046126 /nfs/dbraw/zinc/04/61/26/1078046126.db2.gz XNOSKWIEEHHBCQ-IETPZCKNSA-N 1 2 402.451 0.286 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993633390 1078046061 /nfs/dbraw/zinc/04/60/61/1078046061.db2.gz ULRZCHYCLXPRMY-BTJCNNBASA-N 1 2 412.490 0.147 20 0 HCADLO Cc1nc(C)c(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[nH]1 ZINC000993634036 1078046037 /nfs/dbraw/zinc/04/60/37/1078046037.db2.gz OFUCGWOXQAJVHY-JPZLZDEASA-N 1 2 424.505 0.908 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000993634102 1078046196 /nfs/dbraw/zinc/04/61/96/1078046196.db2.gz YCGSMZHERBCVQP-IVANDREYSA-N 1 2 400.479 0.291 20 0 HCADLO Cc1ccn(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC000993634768 1078045249 /nfs/dbraw/zinc/04/52/49/1078045249.db2.gz SQJWMGUAWFFJEM-LVWNYPIZSA-N 1 2 424.505 0.459 20 0 HCADLO Cc1conc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993635627 1078045167 /nfs/dbraw/zinc/04/51/67/1078045167.db2.gz ZEBOWDKNPHLGLI-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO Cc1cnoc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000993636790 1078045383 /nfs/dbraw/zinc/04/53/83/1078045383.db2.gz RSUSMRNQOFRBHH-MNHMMDCCSA-N 1 2 411.462 0.864 20 0 HCADLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000994432203 1078174466 /nfs/dbraw/zinc/17/44/66/1078174466.db2.gz BPHLZCWIKGBYAC-XYKCEAJKSA-N 1 2 404.511 0.615 20 0 HCADLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000994435749 1078177497 /nfs/dbraw/zinc/17/74/97/1078177497.db2.gz 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/nfs/dbraw/zinc/10/14/48/1081101448.db2.gz HAEDHFAPLUEQLN-AMVBZWJASA-N 1 2 402.373 0.547 20 0 HCADLO O=C(Cc1[nH]cc[nH+]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C2 ZINC001003725600 1081102067 /nfs/dbraw/zinc/10/20/67/1081102067.db2.gz CQRGKFDXJUVMGV-ZNLHFFCSSA-N 1 2 402.373 0.547 20 0 HCADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001003759399 1081109441 /nfs/dbraw/zinc/10/94/41/1081109441.db2.gz ZMGMMOTVRHSCBG-AMVBZWJASA-N 1 2 402.373 0.478 20 0 HCADLO O=C(NCC1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001003778349 1081124950 /nfs/dbraw/zinc/12/49/50/1081124950.db2.gz HWTIUEUDUQBZSM-FZWBFHRNSA-N 1 2 403.523 0.628 20 0 HCADLO O=C(NCC1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001003778349 1081124948 /nfs/dbraw/zinc/12/49/48/1081124948.db2.gz HWTIUEUDUQBZSM-FZWBFHRNSA-N 1 2 403.523 0.628 20 0 HCADLO O=C(NCC1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001003778351 1081124692 /nfs/dbraw/zinc/12/46/92/1081124692.db2.gz HWTIUEUDUQBZSM-XUFBONQXSA-N 1 2 403.523 0.628 20 0 HCADLO O=C(NCC1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001003778351 1081124676 /nfs/dbraw/zinc/12/46/76/1081124676.db2.gz HWTIUEUDUQBZSM-XUFBONQXSA-N 1 2 403.523 0.628 20 0 HCADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2 ZINC001003956696 1081190645 /nfs/dbraw/zinc/19/06/45/1081190645.db2.gz CHEKYRMILHQJIS-QCODTGAPSA-N 1 2 400.483 0.187 20 0 HCADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001004365285 1081359899 /nfs/dbraw/zinc/35/98/99/1081359899.db2.gz RETAXQUDHGRFBH-MNLARUNXSA-N 1 2 403.483 0.024 20 0 HCADLO Cc1nc2sccn2c(=O)c1CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001030701886 1074524239 /nfs/dbraw/zinc/52/42/39/1074524239.db2.gz JHXHKLBTSIUWKG-ALYAQQCSSA-N 1 2 400.504 0.831 20 0 HCADLO Cc1cc(=O)n2nc(C[NH+]3CC(CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)sc2n1 ZINC001031860011 1078857875 /nfs/dbraw/zinc/85/78/75/1078857875.db2.gz GQDGWOGDNRYMLS-RBUCKAEESA-N 1 2 401.492 0.431 20 0 HCADLO Cc1nc(N(C)C)nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)[nH+]1 ZINC001047620445 1079310237 /nfs/dbraw/zinc/31/02/37/1079310237.db2.gz IMSLDDGSUYDUOH-ZOFXXKQRSA-N 1 2 404.515 0.994 20 0 HCADLO Cc1csc2nc(C[N@H+]3C[C@@H](O)[C@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C3)cc(=O)n12 ZINC001077706579 1079431833 /nfs/dbraw/zinc/43/18/33/1079431833.db2.gz SBARHOBXNUPTRF-QCODTGAPSA-N 1 2 404.492 0.293 20 0 HCADLO Cc1csc2nc(C[N@@H+]3C[C@@H](O)[C@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C3)cc(=O)n12 ZINC001077706579 1079431820 /nfs/dbraw/zinc/43/18/20/1079431820.db2.gz SBARHOBXNUPTRF-QCODTGAPSA-N 1 2 404.492 0.293 20 0 HCADLO Cc1c(-c2cc(C[N@H+]3C[C@@H](O)[C@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C3)on2)cnn1C ZINC001077707492 1079432135 /nfs/dbraw/zinc/43/21/35/1079432135.db2.gz LKCQKABZCCTYBQ-BBYRXKHUSA-N 1 2 401.467 0.612 20 0 HCADLO Cc1c(-c2cc(C[N@@H+]3C[C@@H](O)[C@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C3)on2)cnn1C ZINC001077707492 1079432125 /nfs/dbraw/zinc/43/21/25/1079432125.db2.gz LKCQKABZCCTYBQ-BBYRXKHUSA-N 1 2 401.467 0.612 20 0 HCADLO Cc1csc2nc(C[N@@H+]3C[C@@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H](O)C3)cc(=O)n12 ZINC001083793452 1080073351 /nfs/dbraw/zinc/07/33/51/1080073351.db2.gz SBARHOBXNUPTRF-SUJAAXHWSA-N 1 2 404.492 0.293 20 0 HCADLO Cc1csc2nc(C[N@H+]3C[C@@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H](O)C3)cc(=O)n12 ZINC001083793452 1080073340 /nfs/dbraw/zinc/07/33/40/1080073340.db2.gz SBARHOBXNUPTRF-SUJAAXHWSA-N 1 2 404.492 0.293 20 0 HCADLO Cc1c(-c2cc(C[N@@H+]3C[C@@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H](O)C3)on2)cnn1C ZINC001083793798 1080077366 /nfs/dbraw/zinc/07/73/66/1080077366.db2.gz LKCQKABZCCTYBQ-HJFUSPDISA-N 1 2 401.467 0.612 20 0 HCADLO Cc1c(-c2cc(C[N@H+]3C[C@@H](NC(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H](O)C3)on2)cnn1C ZINC001083793798 1080077359 /nfs/dbraw/zinc/07/73/59/1080077359.db2.gz LKCQKABZCCTYBQ-HJFUSPDISA-N 1 2 401.467 0.612 20 0 HCADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC001088871653 1073634051 /nfs/dbraw/zinc/63/40/51/1073634051.db2.gz ZNVZVWQLVUVHQC-PDFKHUOFSA-N 1 2 400.479 0.871 20 0 HCADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC001088871653 1073634048 /nfs/dbraw/zinc/63/40/48/1073634048.db2.gz ZNVZVWQLVUVHQC-PDFKHUOFSA-N 1 2 400.479 0.871 20 0 HCADLO Cn1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC3(CCOCC3)C2)nn1 ZINC001089948178 1080248611 /nfs/dbraw/zinc/24/86/11/1080248611.db2.gz VCIVDMFYCAOARK-GGURZLOHSA-N 1 2 401.511 0.726 20 0 HCADLO Cn1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC3(CCOCC3)C2)nn1 ZINC001089948178 1080248603 /nfs/dbraw/zinc/24/86/03/1080248603.db2.gz VCIVDMFYCAOARK-GGURZLOHSA-N 1 2 401.511 0.726 20 0 HCADLO Cn1cc(C[N@H+]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC3(CCOCC3)C2)nn1 ZINC001089948179 1080248776 /nfs/dbraw/zinc/24/87/76/1080248776.db2.gz VCIVDMFYCAOARK-MATIZBOZSA-N 1 2 401.511 0.726 20 0 HCADLO Cn1cc(C[N@@H+]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC3(CCOCC3)C2)nn1 ZINC001089948179 1080248770 /nfs/dbraw/zinc/24/87/70/1080248770.db2.gz VCIVDMFYCAOARK-MATIZBOZSA-N 1 2 401.511 0.726 20 0 HCADLO O=C(NCc1cn(C2C[NH+](CCOCC3CCC3)C2)nn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001107185066 1079309792 /nfs/dbraw/zinc/30/97/92/1079309792.db2.gz IBPMJAGFELIAKA-RMMWZPCPSA-N 1 2 401.511 0.991 20 0 HCADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC001116775859 1080400766 /nfs/dbraw/zinc/40/07/66/1080400766.db2.gz HRTNPIIPQCPFBS-CYBMUJFWSA-N 1 2 401.248 0.900 20 0 HCADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC001116775859 1080400761 /nfs/dbraw/zinc/40/07/61/1080400761.db2.gz HRTNPIIPQCPFBS-CYBMUJFWSA-N 1 2 401.248 0.900 20 0 HCADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC001116775860 1080400997 /nfs/dbraw/zinc/40/09/97/1080400997.db2.gz HRTNPIIPQCPFBS-ZDUSSCGKSA-N 1 2 401.248 0.900 20 0 HCADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC001116775860 1080400984 /nfs/dbraw/zinc/40/09/84/1080400984.db2.gz HRTNPIIPQCPFBS-ZDUSSCGKSA-N 1 2 401.248 0.900 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ncc2n1CCCC2 ZINC001125026286 1079169243 /nfs/dbraw/zinc/16/92/43/1079169243.db2.gz NVRKHDOSIUSUCL-UHFFFAOYSA-N 1 2 418.523 0.496 20 0 HCADLO COC(=O)C1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)(C(=O)OC)CC1 ZINC001127256137 1077277572 /nfs/dbraw/zinc/27/75/72/1077277572.db2.gz SSSBZQIEKDFGGS-SIRSKZSMSA-N 1 2 412.483 0.257 20 0 HCADLO CN(CCOCCNc1ncnc2c1C[N@@H+](C)CC2)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001127532080 1079104550 /nfs/dbraw/zinc/10/45/50/1079104550.db2.gz ZXRDPDRBYAGUSV-QKWUAHKBSA-N 1 2 401.511 0.775 20 0 HCADLO CN(CCOCCNc1ncnc2c1C[N@H+](C)CC2)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001127532080 1079104545 /nfs/dbraw/zinc/10/45/45/1079104545.db2.gz ZXRDPDRBYAGUSV-QKWUAHKBSA-N 1 2 401.511 0.775 20 0 HCADLO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001127660200 1078859142 /nfs/dbraw/zinc/85/91/42/1078859142.db2.gz HGMRSXDZCGBVPR-QAPCUYQASA-N 1 2 401.463 0.621 20 0 HCADLO Cc1nn(CC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c(=O)n1C ZINC001127865815 1079442268 /nfs/dbraw/zinc/44/22/68/1079442268.db2.gz RUNXZGVUWWCLNJ-UHFFFAOYSA-N 1 2 407.272 0.968 20 0 HCADLO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001127923670 1079544057 /nfs/dbraw/zinc/54/40/57/1079544057.db2.gz IJVPSBZFIDAYIU-SJORKVTESA-N 1 2 417.572 0.575 20 0 HCADLO COCCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC001128018459 1080038207 /nfs/dbraw/zinc/03/82/07/1080038207.db2.gz DVUNTXVPOCNEIM-AEFFLSMTSA-N 1 2 412.508 0.925 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)c2)CC1 ZINC001128064853 1080179383 /nfs/dbraw/zinc/17/93/83/1080179383.db2.gz ZHSJEXVAQQIJFA-SFHVURJKSA-N 1 2 422.551 0.961 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC001128067744 1080161971 /nfs/dbraw/zinc/16/19/71/1080161971.db2.gz LRIJUVDHVCNDCM-SFHVURJKSA-N 1 2 422.551 0.961 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC001128068096 1080162813 /nfs/dbraw/zinc/16/28/13/1080162813.db2.gz RSIBJKZLIPISNK-IBGZPJMESA-N 1 2 408.524 0.761 20 0 HCADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC001128068098 1080162633 /nfs/dbraw/zinc/16/26/33/1080162633.db2.gz RSIBJKZLIPISNK-LJQANCHMSA-N 1 2 408.524 0.761 20 0 HCADLO C[NH+]1CCN(c2ccc(NC(=O)Cn3cnc(C(N)=O)n3)cc2Br)CC1 ZINC001128151520 1080410692 /nfs/dbraw/zinc/41/06/92/1080410692.db2.gz AULLYLLEXPQECQ-UHFFFAOYSA-N 1 2 422.287 0.530 20 0 HCADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@]3(C)CCS(=O)(=O)N3)c2)CC1 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/nfs/dbraw/zinc/85/77/69/719857769.db2.gz AVRBDYHMGGXDPJ-OXQOHEQNSA-N 1 2 406.483 0.815 20 0 HCADLO CCOC(=O)Cc1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164697802 719857665 /nfs/dbraw/zinc/85/76/65/719857665.db2.gz AVRBDYHMGGXDPJ-UZLBHIALSA-N 1 2 406.483 0.815 20 0 HCADLO CCOC(=O)Cc1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nn1 ZINC001164700157 719862402 /nfs/dbraw/zinc/86/24/02/719862402.db2.gz GYWZDPOWHKVZGH-JXFKEZNVSA-N 1 2 406.483 0.815 20 0 HCADLO CCOC(=O)Cc1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nn1 ZINC001164700158 719862654 /nfs/dbraw/zinc/86/26/54/719862654.db2.gz GYWZDPOWHKVZGH-OXJNMPFZSA-N 1 2 406.483 0.815 20 0 HCADLO CCOC(=O)Cc1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nn1 ZINC001164700160 719862662 /nfs/dbraw/zinc/86/26/62/719862662.db2.gz GYWZDPOWHKVZGH-OXQOHEQNSA-N 1 2 406.483 0.815 20 0 HCADLO CCOC(=O)Cc1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nn1 ZINC001164700162 719862474 /nfs/dbraw/zinc/86/24/74/719862474.db2.gz GYWZDPOWHKVZGH-UZLBHIALSA-N 1 2 406.483 0.815 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(Cn2cncn2)cn1 ZINC001164701219 719868197 /nfs/dbraw/zinc/86/81/97/719868197.db2.gz GAOFOXCVGGKYMA-FXAWDEMLSA-N 1 2 400.483 0.954 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(Cn2cncn2)cn1 ZINC001164701220 719868360 /nfs/dbraw/zinc/86/83/60/719868360.db2.gz GAOFOXCVGGKYMA-PXNSSMCTSA-N 1 2 400.483 0.954 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(Cn2cncn2)cn1 ZINC001164701221 719868214 /nfs/dbraw/zinc/86/82/14/719868214.db2.gz GAOFOXCVGGKYMA-XLIONFOSSA-N 1 2 400.483 0.954 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(Cn2cncn2)cn1 ZINC001164701222 719868276 /nfs/dbraw/zinc/86/82/76/719868276.db2.gz GAOFOXCVGGKYMA-YLJYHZDGSA-N 1 2 400.483 0.954 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CC2)nn1 ZINC001164701255 719872984 /nfs/dbraw/zinc/87/29/84/719872984.db2.gz GNDJIZFOTGNXLQ-FOIQADDNSA-N 1 2 403.483 0.602 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CC2)nn1 ZINC001164701256 719872899 /nfs/dbraw/zinc/87/28/99/719872899.db2.gz GNDJIZFOTGNXLQ-MGPUTAFESA-N 1 2 403.483 0.602 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CC2)nn1 ZINC001164701257 719872745 /nfs/dbraw/zinc/87/27/45/719872745.db2.gz GNDJIZFOTGNXLQ-QRWLVFNGSA-N 1 2 403.483 0.602 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CC2)nn1 ZINC001164701258 719873051 /nfs/dbraw/zinc/87/30/51/719873051.db2.gz GNDJIZFOTGNXLQ-YWZLYKJASA-N 1 2 403.483 0.602 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1NC(=O)CS2 ZINC001164701305 719879307 /nfs/dbraw/zinc/87/93/07/719879307.db2.gz NAWKVFNFFMHHBY-KPZWWZAWSA-N 1 2 407.496 0.754 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1NC(=O)CS2 ZINC001164701308 719879340 /nfs/dbraw/zinc/87/93/40/719879340.db2.gz NAWKVFNFFMHHBY-KZULUSFZSA-N 1 2 407.496 0.754 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1NC(=O)CS2 ZINC001164701311 719879368 /nfs/dbraw/zinc/87/93/68/719879368.db2.gz NAWKVFNFFMHHBY-SGTLLEGYSA-N 1 2 407.496 0.754 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1NC(=O)CS2 ZINC001164701314 719879085 /nfs/dbraw/zinc/87/90/85/719879085.db2.gz NAWKVFNFFMHHBY-XIKOKIGWSA-N 1 2 407.496 0.754 20 0 HCADLO COc1cnc(SC)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164701787 719933757 /nfs/dbraw/zinc/93/37/57/719933757.db2.gz BSVKKCVNZXAZRF-UHFFFAOYSA-N 1 2 417.539 0.891 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1COC3)CC2 ZINC001164701822 720048472 /nfs/dbraw/zinc/04/84/72/720048472.db2.gz CKVVAXBLYHSNII-UHFFFAOYSA-N 1 2 417.901 0.844 20 0 HCADLO COC(=O)c1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C ZINC001164701831 720047697 /nfs/dbraw/zinc/04/76/97/720047697.db2.gz CTZXDCUDQXGLEM-UHFFFAOYSA-N 1 2 412.494 0.860 20 0 HCADLO CN(C)c1nc(Cl)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164701847 719930909 /nfs/dbraw/zinc/93/09/09/719930909.db2.gz DAUINUREIKGFHJ-UHFFFAOYSA-N 1 2 418.933 0.880 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCOCC2)ncn1 ZINC001164701918 719841940 /nfs/dbraw/zinc/84/19/40/719841940.db2.gz MXQODDPJXXOZOQ-JXFKEZNVSA-N 1 2 405.499 0.546 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCOCC2)ncn1 ZINC001164701920 719841928 /nfs/dbraw/zinc/84/19/28/719841928.db2.gz MXQODDPJXXOZOQ-OXJNMPFZSA-N 1 2 405.499 0.546 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCOCC2)ncn1 ZINC001164701923 719842039 /nfs/dbraw/zinc/84/20/39/719842039.db2.gz MXQODDPJXXOZOQ-OXQOHEQNSA-N 1 2 405.499 0.546 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCOCC2)ncn1 ZINC001164701926 719841766 /nfs/dbraw/zinc/84/17/66/719841766.db2.gz MXQODDPJXXOZOQ-UZLBHIALSA-N 1 2 405.499 0.546 20 0 HCADLO COC(=O)c1ncnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1OC ZINC001164702238 719879978 /nfs/dbraw/zinc/87/99/78/719879978.db2.gz PNMCYYMTASYLHU-BFUOFWGJSA-N 1 2 408.455 0.505 20 0 HCADLO COC(=O)c1ncnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1OC ZINC001164702239 719880141 /nfs/dbraw/zinc/88/01/41/719880141.db2.gz PNMCYYMTASYLHU-DJJJIMSYSA-N 1 2 408.455 0.505 20 0 HCADLO COC(=O)c1ncnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1OC ZINC001164702240 719880230 /nfs/dbraw/zinc/88/02/30/719880230.db2.gz PNMCYYMTASYLHU-ORAYPTAESA-N 1 2 408.455 0.505 20 0 HCADLO COC(=O)c1ncnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1OC ZINC001164702241 719880085 /nfs/dbraw/zinc/88/00/85/719880085.db2.gz PNMCYYMTASYLHU-YJYMSZOUSA-N 1 2 408.455 0.505 20 0 HCADLO COC(=O)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1N ZINC001164702282 720048757 /nfs/dbraw/zinc/04/87/57/720048757.db2.gz DSEPAPHWZMMIHM-UHFFFAOYSA-N 1 2 413.482 0.134 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3nc[nH]c31)CC2 ZINC001164702321 719931680 /nfs/dbraw/zinc/93/16/80/719931680.db2.gz FIIABZYASHSTEQ-UHFFFAOYSA-N 1 2 415.889 0.690 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncccc1S(C)(=O)=O)CC2 ZINC001164702330 720048628 /nfs/dbraw/zinc/04/86/28/720048628.db2.gz FKPWDFWQRCMDKS-UHFFFAOYSA-N 1 2 418.523 0.169 20 0 HCADLO COC(=O)c1cc(F)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702344 719934347 /nfs/dbraw/zinc/93/43/47/719934347.db2.gz FMESUHGMRFPXIO-UHFFFAOYSA-N 1 2 416.457 0.691 20 0 HCADLO COc1cc(OC)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164702540 719939030 /nfs/dbraw/zinc/93/90/30/719939030.db2.gz GVFGSMNSADEHAU-UHFFFAOYSA-N 1 2 401.471 0.178 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)ncc1C(N)=O)CC2 ZINC001164702904 719936080 /nfs/dbraw/zinc/93/60/80/719936080.db2.gz HPKCLRAIFQYVBP-UHFFFAOYSA-N 1 2 417.901 0.518 20 0 HCADLO COc1nc(Cl)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164703001 719933569 /nfs/dbraw/zinc/93/35/69/719933569.db2.gz IGVAAFUXFIYHLS-UHFFFAOYSA-N 1 2 405.890 0.822 20 0 HCADLO CSc1nc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164703240 720047299 /nfs/dbraw/zinc/04/72/99/720047299.db2.gz JQEQLVOYTWHOJR-UHFFFAOYSA-N 1 2 422.946 0.931 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(N)=O)c(Cl)cn1)CC2 ZINC001164703489 719937055 /nfs/dbraw/zinc/93/70/55/719937055.db2.gz KAJDCZNAFZBKPK-UHFFFAOYSA-N 1 2 417.901 0.518 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(S(N)(=O)=O)cc1F ZINC001164703510 719879631 /nfs/dbraw/zinc/87/96/31/719879631.db2.gz SQYHQKQOROZMJV-PXAZEXFGSA-N 1 2 416.475 0.101 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(S(N)(=O)=O)cc1F ZINC001164703538 719879584 /nfs/dbraw/zinc/87/95/84/719879584.db2.gz SQYHQKQOROZMJV-SJCJKPOMSA-N 1 2 416.475 0.101 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(S(N)(=O)=O)cc1F ZINC001164703542 719879505 /nfs/dbraw/zinc/87/95/05/719879505.db2.gz SQYHQKQOROZMJV-SJKOYZFVSA-N 1 2 416.475 0.101 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(S(N)(=O)=O)cc1F ZINC001164703550 719879718 /nfs/dbraw/zinc/87/97/18/719879718.db2.gz SQYHQKQOROZMJV-YVEFUNNKSA-N 1 2 416.475 0.101 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(Cl)cc1C(N)=O)CC2 ZINC001164703568 719935806 /nfs/dbraw/zinc/93/58/06/719935806.db2.gz KPMQDCIPRTWOMF-UHFFFAOYSA-N 1 2 417.901 0.518 20 0 HCADLO COC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(C)c1 ZINC001164703624 720048341 /nfs/dbraw/zinc/04/83/41/720048341.db2.gz LDSFLTIJXKYHAV-UHFFFAOYSA-N 1 2 412.494 0.860 20 0 HCADLO COC(=O)c1ccc(C)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164703691 719935488 /nfs/dbraw/zinc/93/54/88/719935488.db2.gz LJKFMXOWUSZYME-UHFFFAOYSA-N 1 2 412.494 0.860 20 0 HCADLO CNC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164703749 719879109 /nfs/dbraw/zinc/87/91/09/719879109.db2.gz UDXGZCKMSXFIGJ-KPZWWZAWSA-N 1 2 411.890 0.722 20 0 HCADLO CNC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164703751 719879352 /nfs/dbraw/zinc/87/93/52/719879352.db2.gz UDXGZCKMSXFIGJ-KZULUSFZSA-N 1 2 411.890 0.722 20 0 HCADLO CNC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164703753 719879026 /nfs/dbraw/zinc/87/90/26/719879026.db2.gz UDXGZCKMSXFIGJ-SGTLLEGYSA-N 1 2 411.890 0.722 20 0 HCADLO CNC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164703755 719879185 /nfs/dbraw/zinc/87/91/85/719879185.db2.gz UDXGZCKMSXFIGJ-XIKOKIGWSA-N 1 2 411.890 0.722 20 0 HCADLO CCOC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164703760 719938456 /nfs/dbraw/zinc/93/84/56/719938456.db2.gz MHJNCZZRXISZIQ-UHFFFAOYSA-N 1 2 413.482 0.337 20 0 HCADLO COC(=O)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1F ZINC001164703832 720048325 /nfs/dbraw/zinc/04/83/25/720048325.db2.gz NLFNSKCGEWEHFT-UHFFFAOYSA-N 1 2 416.457 0.691 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)N(C)[C@H](C)C(=O)N2 ZINC001164704041 719855830 /nfs/dbraw/zinc/85/58/30/719855830.db2.gz QPSJUTUZSNCFQA-CKNLXJGOSA-N 1 2 418.498 0.486 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)N(C)[C@H](C)C(=O)N2 ZINC001164704042 719855936 /nfs/dbraw/zinc/85/59/36/719855936.db2.gz QPSJUTUZSNCFQA-JZKQVHKSSA-N 1 2 418.498 0.486 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)N(C)[C@@H](C)C(=O)N2 ZINC001164704043 719856070 /nfs/dbraw/zinc/85/60/70/719856070.db2.gz QPSJUTUZSNCFQA-MNVSYLFESA-N 1 2 418.498 0.486 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)N(C)[C@@H](C)C(=O)N2 ZINC001164704045 719855925 /nfs/dbraw/zinc/85/59/25/719855925.db2.gz QPSJUTUZSNCFQA-YRVVQQKDSA-N 1 2 418.498 0.486 20 0 HCADLO CCOC(=O)c1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164704208 719934510 /nfs/dbraw/zinc/93/45/10/719934510.db2.gz PSHMDRNLWNCCMR-UHFFFAOYSA-N 1 2 412.494 0.942 20 0 HCADLO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164704394 719867805 /nfs/dbraw/zinc/86/78/05/719867805.db2.gz LNOWKYSBNIAANV-KBXCAEBGSA-N 1 2 412.512 0.222 20 0 HCADLO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164704396 719867867 /nfs/dbraw/zinc/86/78/67/719867867.db2.gz LNOWKYSBNIAANV-KDOFPFPSSA-N 1 2 412.512 0.222 20 0 HCADLO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164704397 719867736 /nfs/dbraw/zinc/86/77/36/719867736.db2.gz LNOWKYSBNIAANV-KSSFIOAISA-N 1 2 412.512 0.222 20 0 HCADLO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164704398 719867993 /nfs/dbraw/zinc/86/79/93/719867993.db2.gz LNOWKYSBNIAANV-RDTXWAMCSA-N 1 2 412.512 0.222 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(N)=O)cc(Cl)n1)CC2 ZINC001164704765 719933445 /nfs/dbraw/zinc/93/34/45/719933445.db2.gz RFCGXCKSOSTDPI-UHFFFAOYSA-N 1 2 417.901 0.518 20 0 HCADLO COc1cnc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164704789 719933709 /nfs/dbraw/zinc/93/37/09/719933709.db2.gz RTQBFILXOCSEQA-UHFFFAOYSA-N 1 2 405.890 0.822 20 0 HCADLO CCOC(=O)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncn1 ZINC001164704791 720048440 /nfs/dbraw/zinc/04/84/40/720048440.db2.gz RWAIAGJXZPLESD-UHFFFAOYSA-N 1 2 413.482 0.337 20 0 HCADLO COc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(OC)n1 ZINC001164704815 720047367 /nfs/dbraw/zinc/04/73/67/720047367.db2.gz SNCUAMJJWSIVAB-UHFFFAOYSA-N 1 2 401.471 0.178 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164704819 720047802 /nfs/dbraw/zinc/04/78/02/720047802.db2.gz STHQHPJRPJXLQK-UHFFFAOYSA-N 1 2 411.297 0.862 20 0 HCADLO CCOC(=O)c1cncnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164704851 719926893 /nfs/dbraw/zinc/92/68/93/719926893.db2.gz UYDUQOQJDVBSBL-UHFFFAOYSA-N 1 2 413.482 0.337 20 0 HCADLO COc1nc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164704859 720047629 /nfs/dbraw/zinc/04/76/29/720047629.db2.gz VFWZEMJFJRQIFY-UHFFFAOYSA-N 1 2 406.878 0.217 20 0 HCADLO COC(=O)c1cc2c(ncnc2N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)[nH]1 ZINC001164705251 719843912 /nfs/dbraw/zinc/84/39/12/719843912.db2.gz UEKOBQBKQHINLK-RBZFPXEDSA-N 1 2 417.466 0.929 20 0 HCADLO COC(=O)c1cc2c(ncnc2N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)[nH]1 ZINC001164705253 719843784 /nfs/dbraw/zinc/84/37/84/719843784.db2.gz UEKOBQBKQHINLK-RNODOKPDSA-N 1 2 417.466 0.929 20 0 HCADLO COC(=O)c1cc2c(ncnc2N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)[nH]1 ZINC001164705255 719843938 /nfs/dbraw/zinc/84/39/38/719843938.db2.gz UEKOBQBKQHINLK-XCLFUZPHSA-N 1 2 417.466 0.929 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cnc(F)cc31)CC2 ZINC001164705256 720047794 /nfs/dbraw/zinc/04/77/94/720047794.db2.gz XIKYHABMYYEYBV-UHFFFAOYSA-N 1 2 410.457 0.848 20 0 HCADLO COC(=O)c1cc2c(ncnc2N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)[nH]1 ZINC001164705257 719843755 /nfs/dbraw/zinc/84/37/55/719843755.db2.gz UEKOBQBKQHINLK-ZUOKHONESA-N 1 2 417.466 0.929 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(N)=O)nc(C2CC2)n1 ZINC001164705448 719880272 /nfs/dbraw/zinc/88/02/72/719880272.db2.gz ZOLNVEISWHZHKJ-JLTOFOAXSA-N 1 2 403.483 0.686 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(N)=O)nc(C2CC2)n1 ZINC001164705450 719880048 /nfs/dbraw/zinc/88/00/48/719880048.db2.gz ZOLNVEISWHZHKJ-VBKZILBWSA-N 1 2 403.483 0.686 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(N)=O)nc(C2CC2)n1 ZINC001164705452 719880150 /nfs/dbraw/zinc/88/01/50/719880150.db2.gz ZOLNVEISWHZHKJ-VLIAUNLRSA-N 1 2 403.483 0.686 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(N)=O)nc(C2CC2)n1 ZINC001164705454 719879987 /nfs/dbraw/zinc/87/99/87/719879987.db2.gz ZOLNVEISWHZHKJ-XOBRGWDASA-N 1 2 403.483 0.686 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CCOCC2)n1 ZINC001164705569 719860634 /nfs/dbraw/zinc/86/06/34/719860634.db2.gz UHJCQCGRJFAOMI-JXFKEZNVSA-N 1 2 405.499 0.546 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CCOCC2)n1 ZINC001164705570 719860654 /nfs/dbraw/zinc/86/06/54/719860654.db2.gz UHJCQCGRJFAOMI-OXJNMPFZSA-N 1 2 405.499 0.546 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CCOCC2)n1 ZINC001164705571 719860495 /nfs/dbraw/zinc/86/04/95/719860495.db2.gz UHJCQCGRJFAOMI-OXQOHEQNSA-N 1 2 405.499 0.546 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CCOCC2)n1 ZINC001164705572 719860604 /nfs/dbraw/zinc/86/06/04/719860604.db2.gz UHJCQCGRJFAOMI-UZLBHIALSA-N 1 2 405.499 0.546 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2nc[nH]c2c(N(C)C)n1 ZINC001164706045 719859175 /nfs/dbraw/zinc/85/91/75/719859175.db2.gz WMWSUNXMHRRNOA-BFUOFWGJSA-N 1 2 403.487 0.652 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2nc[nH]c2c(N(C)C)n1 ZINC001164706046 719859283 /nfs/dbraw/zinc/85/92/83/719859283.db2.gz WMWSUNXMHRRNOA-DJJJIMSYSA-N 1 2 403.487 0.652 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2nc[nH]c2c(N(C)C)n1 ZINC001164706047 719859151 /nfs/dbraw/zinc/85/91/51/719859151.db2.gz WMWSUNXMHRRNOA-ORAYPTAESA-N 1 2 403.487 0.652 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2nc[nH]c2c(N(C)C)n1 ZINC001164706048 719859238 /nfs/dbraw/zinc/85/92/38/719859238.db2.gz WMWSUNXMHRRNOA-YJYMSZOUSA-N 1 2 403.487 0.652 20 0 HCADLO COC(=O)c1c[nH]c2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c12 ZINC001164706421 719859094 /nfs/dbraw/zinc/85/90/94/719859094.db2.gz XLJZSIMWRXOCIL-RBZFPXEDSA-N 1 2 417.466 0.977 20 0 HCADLO COC(=O)c1c[nH]c2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c12 ZINC001164706422 719858995 /nfs/dbraw/zinc/85/89/95/719858995.db2.gz XLJZSIMWRXOCIL-RNODOKPDSA-N 1 2 417.466 0.977 20 0 HCADLO COC(=O)c1c[nH]c2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c12 ZINC001164706423 719859195 /nfs/dbraw/zinc/85/91/95/719859195.db2.gz XLJZSIMWRXOCIL-XCLFUZPHSA-N 1 2 417.466 0.977 20 0 HCADLO COC(=O)c1c[nH]c2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c12 ZINC001164706424 719859213 /nfs/dbraw/zinc/85/92/13/719859213.db2.gz XLJZSIMWRXOCIL-ZUOKHONESA-N 1 2 417.466 0.977 20 0 HCADLO CCOC(=O)c1cnc(OC)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706470 719851789 /nfs/dbraw/zinc/85/17/89/719851789.db2.gz XWABFARKROENSV-JLTOFOAXSA-N 1 2 422.482 0.895 20 0 HCADLO CCOC(=O)c1cnc(OC)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706473 719851901 /nfs/dbraw/zinc/85/19/01/719851901.db2.gz XWABFARKROENSV-VBKZILBWSA-N 1 2 422.482 0.895 20 0 HCADLO CCOC(=O)c1cnc(OC)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706478 719851728 /nfs/dbraw/zinc/85/17/28/719851728.db2.gz XWABFARKROENSV-VLIAUNLRSA-N 1 2 422.482 0.895 20 0 HCADLO CCOC(=O)c1cnc(OC)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706481 719851585 /nfs/dbraw/zinc/85/15/85/719851585.db2.gz XWABFARKROENSV-XOBRGWDASA-N 1 2 422.482 0.895 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)cc2c1C(=O)NC2=O ZINC001164706564 719866444 /nfs/dbraw/zinc/86/64/44/719866444.db2.gz PXBXKVWPKJTORQ-RBZFPXEDSA-N 1 2 402.451 0.506 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)cc2c1C(=O)NC2=O ZINC001164706567 719866346 /nfs/dbraw/zinc/86/63/46/719866346.db2.gz PXBXKVWPKJTORQ-RNODOKPDSA-N 1 2 402.451 0.506 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)cc2c1C(=O)NC2=O ZINC001164706569 719866517 /nfs/dbraw/zinc/86/65/17/719866517.db2.gz PXBXKVWPKJTORQ-XCLFUZPHSA-N 1 2 402.451 0.506 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)cc2c1C(=O)NC2=O ZINC001164706573 719866392 /nfs/dbraw/zinc/86/63/92/719866392.db2.gz PXBXKVWPKJTORQ-ZUOKHONESA-N 1 2 402.451 0.506 20 0 HCADLO COC(=O)CSc1cncc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164707177 719872406 /nfs/dbraw/zinc/87/24/06/719872406.db2.gz QYICMMPEUYLSOL-AUUYWEPGSA-N 1 2 424.523 0.974 20 0 HCADLO COC(=O)CSc1cncc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164707178 719872339 /nfs/dbraw/zinc/87/23/39/719872339.db2.gz QYICMMPEUYLSOL-IFXJQAMLSA-N 1 2 424.523 0.974 20 0 HCADLO COC(=O)CSc1cncc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164707179 719872482 /nfs/dbraw/zinc/87/24/82/719872482.db2.gz QYICMMPEUYLSOL-KUHUBIRLSA-N 1 2 424.523 0.974 20 0 HCADLO COC(=O)CSc1cncc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164707180 719872430 /nfs/dbraw/zinc/87/24/30/719872430.db2.gz QYICMMPEUYLSOL-LIRRHRJNSA-N 1 2 424.523 0.974 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-n2cncn2)nc(C)n1 ZINC001164707655 719875564 /nfs/dbraw/zinc/87/55/64/719875564.db2.gz UXIPPTSVEDINCG-BEFAXECRSA-N 1 2 401.471 0.598 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-n2cncn2)nc(C)n1 ZINC001164707656 719875674 /nfs/dbraw/zinc/87/56/74/719875674.db2.gz UXIPPTSVEDINCG-DNVCBOLYSA-N 1 2 401.471 0.598 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-n2cncn2)nc(C)n1 ZINC001164707657 719875763 /nfs/dbraw/zinc/87/57/63/719875763.db2.gz UXIPPTSVEDINCG-HNAYVOBHSA-N 1 2 401.471 0.598 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-n2cncn2)nc(C)n1 ZINC001164707658 719875503 /nfs/dbraw/zinc/87/55/03/719875503.db2.gz UXIPPTSVEDINCG-KXBFYZLASA-N 1 2 401.471 0.598 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164708021 719935026 /nfs/dbraw/zinc/93/50/26/719935026.db2.gz AIQLWEMTXXWABG-GOSISDBHSA-N 1 2 423.880 0.941 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164708022 719934285 /nfs/dbraw/zinc/93/42/85/719934285.db2.gz AIQLWEMTXXWABG-SFHVURJKSA-N 1 2 423.880 0.941 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(-n2ccccc2=O)n1 ZINC001164708041 719870689 /nfs/dbraw/zinc/87/06/89/719870689.db2.gz XIVKCBQPNJCXIP-HRAATJIYSA-N 1 2 413.478 0.860 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(-n2ccccc2=O)n1 ZINC001164708042 719870808 /nfs/dbraw/zinc/87/08/08/719870808.db2.gz XIVKCBQPNJCXIP-IERDGZPVSA-N 1 2 413.478 0.860 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(-n2ccccc2=O)n1 ZINC001164708043 719870933 /nfs/dbraw/zinc/87/09/33/719870933.db2.gz XIVKCBQPNJCXIP-IIBYNOLFSA-N 1 2 413.478 0.860 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(-n2ccccc2=O)n1 ZINC001164708044 719870941 /nfs/dbraw/zinc/87/09/41/719870941.db2.gz XIVKCBQPNJCXIP-KKSFZXQISA-N 1 2 413.478 0.860 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)nccc1C(N)=O)CC2 ZINC001164708097 719934415 /nfs/dbraw/zinc/93/44/15/719934415.db2.gz BZSHRXDTFLUJKO-UHFFFAOYSA-N 1 2 417.901 0.518 20 0 HCADLO Cc1nc(-n2cncn2)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708133 719933814 /nfs/dbraw/zinc/93/38/14/719933814.db2.gz DMOGSLXOUJVRPW-UHFFFAOYSA-N 1 2 422.497 0.050 20 0 HCADLO COc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc2c1ccn2C ZINC001164708266 719937698 /nfs/dbraw/zinc/93/76/98/719937698.db2.gz GTMOUUSDAOGFQG-UHFFFAOYSA-N 1 2 424.509 0.661 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(F)cc1C(N)=O)CC2 ZINC001164708273 719919004 /nfs/dbraw/zinc/91/90/04/719919004.db2.gz GWGCGWTYMNUUEA-UHFFFAOYSA-N 1 2 401.446 0.003 20 0 HCADLO COCc1nc(OC)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708323 719936919 /nfs/dbraw/zinc/93/69/19/719936919.db2.gz IXABBIUIDHAUNY-UHFFFAOYSA-N 1 2 415.498 0.315 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C(=O)NC3CC3)nn1)CC2 ZINC001164708336 719931756 /nfs/dbraw/zinc/93/17/56/719931756.db2.gz JRWXEJNTZFRYIR-UHFFFAOYSA-N 1 2 424.509 0.053 20 0 HCADLO COCOc1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708394 719911025 /nfs/dbraw/zinc/91/10/25/719911025.db2.gz CFNGVRBHAUVJBO-UHFFFAOYSA-N 1 2 400.483 0.748 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3ccc(=O)n(C)c3n1)CC2 ZINC001164708455 719909401 /nfs/dbraw/zinc/90/94/01/719909401.db2.gz DOAJXRJMZNKWAF-UHFFFAOYSA-N 1 2 421.505 0.617 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164708458 719918001 /nfs/dbraw/zinc/91/80/01/719918001.db2.gz DPAXIUNGXWACKO-UHFFFAOYSA-N 1 2 407.482 0.346 20 0 HCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1C(C)(C)C(=O)N2 ZINC001164708484 719865415 /nfs/dbraw/zinc/86/54/15/719865415.db2.gz ZLOBPDIPTFXYPQ-RBZFPXEDSA-N 1 2 403.483 0.939 20 0 HCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1C(C)(C)C(=O)N2 ZINC001164708486 719865673 /nfs/dbraw/zinc/86/56/73/719865673.db2.gz ZLOBPDIPTFXYPQ-RNODOKPDSA-N 1 2 403.483 0.939 20 0 HCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1C(C)(C)C(=O)N2 ZINC001164708488 719865616 /nfs/dbraw/zinc/86/56/16/719865616.db2.gz ZLOBPDIPTFXYPQ-XCLFUZPHSA-N 1 2 403.483 0.939 20 0 HCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1C(C)(C)C(=O)N2 ZINC001164708489 719865345 /nfs/dbraw/zinc/86/53/45/719865345.db2.gz ZLOBPDIPTFXYPQ-ZUOKHONESA-N 1 2 403.483 0.939 20 0 HCADLO CCOC(=O)c1nccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708531 719927442 /nfs/dbraw/zinc/92/74/42/719927442.db2.gz KJUNOADNTKSMAT-UHFFFAOYSA-N 1 2 413.482 0.337 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c1ncn3C1CC1)CC2 ZINC001164708573 719924920 /nfs/dbraw/zinc/92/49/20/719924920.db2.gz LKLPTLXXENQWTD-UHFFFAOYSA-N 1 2 421.509 0.845 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c(n1)OCC(=O)N3)CC2 ZINC001164708667 719906980 /nfs/dbraw/zinc/90/69/80/719906980.db2.gz FXDXFLFJYJOLHV-UHFFFAOYSA-N 1 2 411.466 0.096 20 0 HCADLO COc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(SC)n1 ZINC001164708668 719907521 /nfs/dbraw/zinc/90/75/21/719907521.db2.gz FYCGSOGMWSCXLK-UHFFFAOYSA-N 1 2 417.539 0.891 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(N3CCCC3)n1)CC2 ZINC001164708669 719918390 /nfs/dbraw/zinc/91/83/90/719918390.db2.gz GBOBVODRSIABEJ-UHFFFAOYSA-N 1 2 410.526 0.761 20 0 HCADLO CN(C)c1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc2nc[nH]c21 ZINC001164708675 719912553 /nfs/dbraw/zinc/91/25/53/719912553.db2.gz GNBOTUMMLLQBIU-UHFFFAOYSA-N 1 2 424.513 0.103 20 0 HCADLO CN(C)c1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708708 719910890 /nfs/dbraw/zinc/91/08/90/719910890.db2.gz IKCLZSXYLPYDFG-UHFFFAOYSA-N 1 2 418.933 0.880 20 0 HCADLO COC(=O)c1cc(C)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708735 719913664 /nfs/dbraw/zinc/91/36/64/719913664.db2.gz JLIKRBZOWVKZEF-UHFFFAOYSA-N 1 2 412.494 0.860 20 0 HCADLO CN(C)C(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708749 719902769 /nfs/dbraw/zinc/90/27/69/719902769.db2.gz JZMQPRQRZDCCTQ-UHFFFAOYSA-N 1 2 411.510 0.467 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164708805 719919777 /nfs/dbraw/zinc/91/97/77/719919777.db2.gz RLXZRZROBKKCOS-UHFFFAOYSA-N 1 2 424.509 0.390 20 0 HCADLO COCCOc1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164708811 719924824 /nfs/dbraw/zinc/92/48/24/719924824.db2.gz RTKFSKXKHUSNKS-UHFFFAOYSA-N 1 2 415.498 0.186 20 0 HCADLO CCNC(=O)c1cccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708875 719915960 /nfs/dbraw/zinc/91/59/60/719915960.db2.gz LLMXWESWRVCUEM-UHFFFAOYSA-N 1 2 411.510 0.515 20 0 HCADLO CCOC(=O)c1cncc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708880 719908217 /nfs/dbraw/zinc/90/82/17/719908217.db2.gz LODBPWLUKNVKQE-UHFFFAOYSA-N 1 2 413.482 0.337 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001164708890 719918851 /nfs/dbraw/zinc/91/88/51/719918851.db2.gz UYJQCDQTZKHSNF-UHFFFAOYSA-N 1 2 418.523 0.169 20 0 HCADLO COC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1C ZINC001164708896 719905509 /nfs/dbraw/zinc/90/55/09/719905509.db2.gz MHKYWOGCXLHWSY-UHFFFAOYSA-N 1 2 412.494 0.860 20 0 HCADLO COc1ncc(Cl)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708912 719933219 /nfs/dbraw/zinc/93/32/19/719933219.db2.gz UZXDRRYMBGNCQL-UHFFFAOYSA-N 1 2 405.890 0.822 20 0 HCADLO Cc1nc2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2n1C ZINC001164708921 719909259 /nfs/dbraw/zinc/90/92/59/719909259.db2.gz NJPYLAOIBVHSOI-UHFFFAOYSA-N 1 2 408.510 0.961 20 0 HCADLO COC(=O)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1C ZINC001164709008 719913352 /nfs/dbraw/zinc/91/33/52/719913352.db2.gz PBSMWBURJLNXAP-UHFFFAOYSA-N 1 2 412.494 0.860 20 0 HCADLO CCn1cnc2c1ncnc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709069 719923891 /nfs/dbraw/zinc/92/38/91/719923891.db2.gz XHIZLYBSJYDIAF-UHFFFAOYSA-N 1 2 409.498 0.530 20 0 HCADLO CCNC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164709106 719921826 /nfs/dbraw/zinc/92/18/26/719921826.db2.gz XYXPIGKUDPUBDN-UHFFFAOYSA-N 1 2 411.510 0.515 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164709111 719926124 /nfs/dbraw/zinc/92/61/24/719926124.db2.gz XZBVDZJAKCYGAL-UHFFFAOYSA-N 1 2 408.466 0.815 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164709136 719930886 /nfs/dbraw/zinc/93/08/86/719930886.db2.gz ZEDHUODOUJFYFQ-UHFFFAOYSA-N 1 2 414.539 0.421 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164709140 719924601 /nfs/dbraw/zinc/92/46/01/719924601.db2.gz ZJOIMZVOSWZULC-UHFFFAOYSA-N 1 2 421.509 0.405 20 0 HCADLO COc1cc(OC)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709204 719907472 /nfs/dbraw/zinc/90/74/72/719907472.db2.gz QMEQWMIFBCYJJF-UHFFFAOYSA-N 1 2 400.483 0.783 20 0 HCADLO C[C@H]1C(=O)Nc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c21 ZINC001164709301 719913338 /nfs/dbraw/zinc/91/33/38/719913338.db2.gz SMWRBYWEOOLDDZ-GFCCVEGCSA-N 1 2 410.482 0.216 20 0 HCADLO C[C@@H]1C(=O)Nc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c21 ZINC001164709303 719912741 /nfs/dbraw/zinc/91/27/41/719912741.db2.gz SMWRBYWEOOLDDZ-LBPRGKRZSA-N 1 2 410.482 0.216 20 0 HCADLO COc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1OC ZINC001164709443 719908197 /nfs/dbraw/zinc/90/81/97/719908197.db2.gz UTZNPVTULRUEMN-UHFFFAOYSA-N 1 2 401.471 0.178 20 0 HCADLO Cc1cn(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)cn1 ZINC001164709453 719917126 /nfs/dbraw/zinc/91/71/26/719917126.db2.gz VBXGYUQPTUXNCN-UHFFFAOYSA-N 1 2 421.509 0.655 20 0 HCADLO CCOC(=O)c1nccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709457 719907784 /nfs/dbraw/zinc/90/77/84/719907784.db2.gz VJPZUKNWHDAAJL-UHFFFAOYSA-N 1 2 413.482 0.337 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)ccc1C(N)=O)CC2 ZINC001164709490 719909410 /nfs/dbraw/zinc/90/94/10/719909410.db2.gz WHRNCBUPVFMECG-UHFFFAOYSA-N 1 2 417.901 0.518 20 0 HCADLO C[C@@H]1CC(=O)Nc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c21 ZINC001164709500 719910300 /nfs/dbraw/zinc/91/03/00/719910300.db2.gz WSVMYCRFMOYWIG-CYBMUJFWSA-N 1 2 424.509 0.606 20 0 HCADLO C[C@H]1CC(=O)Nc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c21 ZINC001164709501 719908972 /nfs/dbraw/zinc/90/89/72/719908972.db2.gz WSVMYCRFMOYWIG-ZDUSSCGKSA-N 1 2 424.509 0.606 20 0 HCADLO COC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(F)c1 ZINC001164709507 719903148 /nfs/dbraw/zinc/90/31/48/719903148.db2.gz XFBCZEVCUIATTH-UHFFFAOYSA-N 1 2 416.457 0.691 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164709532 719915508 /nfs/dbraw/zinc/91/55/08/719915508.db2.gz YBMOGHXYMBGGNJ-UHFFFAOYSA-N 1 2 407.482 0.346 20 0 HCADLO COC(=O)Cc1cccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709536 719905526 /nfs/dbraw/zinc/90/55/26/719905526.db2.gz YFWJAMCKNRUZAF-UHFFFAOYSA-N 1 2 412.494 0.481 20 0 HCADLO CCOC(=O)c1cccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709562 719902297 /nfs/dbraw/zinc/90/22/97/719902297.db2.gz YKONXUPLGWDGBM-UHFFFAOYSA-N 1 2 412.494 0.942 20 0 HCADLO CCOC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cn1 ZINC001164709585 719904373 /nfs/dbraw/zinc/90/43/73/719904373.db2.gz YSFWNQXODMIYNX-UHFFFAOYSA-N 1 2 413.482 0.337 20 0 HCADLO COc1cnnc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709660 719907276 /nfs/dbraw/zinc/90/72/76/719907276.db2.gz ZIVFVJLINNPKJL-UHFFFAOYSA-N 1 2 405.890 0.822 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(OCC3CC3)ncn1)CC2 ZINC001164709764 719913776 /nfs/dbraw/zinc/91/37/76/719913776.db2.gz ZUGLDICHNHXLAQ-UHFFFAOYSA-N 1 2 411.510 0.949 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164712214 720048943 /nfs/dbraw/zinc/04/89/43/720048943.db2.gz KNPPELSZYXPHDN-UHFFFAOYSA-N 1 2 424.509 0.137 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001164714227 720049823 /nfs/dbraw/zinc/04/98/23/720049823.db2.gz PXNNXBWMFJVOFB-GOSISDBHSA-N 1 2 423.880 0.941 20 0 HCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001164714229 720049457 /nfs/dbraw/zinc/04/94/57/720049457.db2.gz PXNNXBWMFJVOFB-SFHVURJKSA-N 1 2 423.880 0.941 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3C(=O)OC)C2)C1 ZINC001164717220 720215747 /nfs/dbraw/zinc/21/57/47/720215747.db2.gz GSRJDPBVZMGKBM-GOSISDBHSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3C(=O)OC)C2)C1 ZINC001164717220 720215736 /nfs/dbraw/zinc/21/57/36/720215736.db2.gz GSRJDPBVZMGKBM-GOSISDBHSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C(=O)OC)C2)C1 ZINC001164717221 720214416 /nfs/dbraw/zinc/21/44/16/720214416.db2.gz GSRJDPBVZMGKBM-SFHVURJKSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C(=O)OC)C2)C1 ZINC001164717221 720214406 /nfs/dbraw/zinc/21/44/06/720214406.db2.gz GSRJDPBVZMGKBM-SFHVURJKSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)OC(C)C)nn3)C2)C1 ZINC001164717238 720227215 /nfs/dbraw/zinc/22/72/15/720227215.db2.gz HEJBWHWCKAWMOS-FQEVSTJZSA-N 1 2 405.499 0.707 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)OC(C)C)nn3)C2)C1 ZINC001164717238 720227208 /nfs/dbraw/zinc/22/72/08/720227208.db2.gz HEJBWHWCKAWMOS-FQEVSTJZSA-N 1 2 405.499 0.707 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OC(C)C)nn3)C2)C1 ZINC001164717239 720228154 /nfs/dbraw/zinc/22/81/54/720228154.db2.gz HEJBWHWCKAWMOS-HXUWFJFHSA-N 1 2 405.499 0.707 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OC(C)C)nn3)C2)C1 ZINC001164717239 720228146 /nfs/dbraw/zinc/22/81/46/720228146.db2.gz HEJBWHWCKAWMOS-HXUWFJFHSA-N 1 2 405.499 0.707 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(OC)c(NC(C)C)n3)C2)C1 ZINC001164717288 720209792 /nfs/dbraw/zinc/20/97/92/720209792.db2.gz ICFOHMGALYBFFH-FQEVSTJZSA-N 1 2 406.531 0.970 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(OC)c(NC(C)C)n3)C2)C1 ZINC001164717288 720209772 /nfs/dbraw/zinc/20/97/72/720209772.db2.gz ICFOHMGALYBFFH-FQEVSTJZSA-N 1 2 406.531 0.970 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(OC)c(NC(C)C)n3)C2)C1 ZINC001164717289 720208397 /nfs/dbraw/zinc/20/83/97/720208397.db2.gz ICFOHMGALYBFFH-HXUWFJFHSA-N 1 2 406.531 0.970 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(OC)c(NC(C)C)n3)C2)C1 ZINC001164717289 720208386 /nfs/dbraw/zinc/20/83/86/720208386.db2.gz ICFOHMGALYBFFH-HXUWFJFHSA-N 1 2 406.531 0.970 20 0 HCADLO CCOC(=O)c1c(C)ncnc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164717498 720252873 /nfs/dbraw/zinc/25/28/73/720252873.db2.gz AADOFNHRACKBMN-FQEVSTJZSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1c(C)ncnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164717498 720252866 /nfs/dbraw/zinc/25/28/66/720252866.db2.gz AADOFNHRACKBMN-FQEVSTJZSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1c(C)ncnc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164717499 720254124 /nfs/dbraw/zinc/25/41/24/720254124.db2.gz AADOFNHRACKBMN-HXUWFJFHSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1c(C)ncnc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164717499 720254121 /nfs/dbraw/zinc/25/41/21/720254121.db2.gz AADOFNHRACKBMN-HXUWFJFHSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1cnc(C)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164717526 720232803 /nfs/dbraw/zinc/23/28/03/720232803.db2.gz AINGJWFSTJJDJB-FQEVSTJZSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1cnc(C)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164717526 720232792 /nfs/dbraw/zinc/23/27/92/720232792.db2.gz AINGJWFSTJJDJB-FQEVSTJZSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1cnc(C)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164717527 720233735 /nfs/dbraw/zinc/23/37/35/720233735.db2.gz AINGJWFSTJJDJB-HXUWFJFHSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1cnc(C)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164717527 720233727 /nfs/dbraw/zinc/23/37/27/720233727.db2.gz AINGJWFSTJJDJB-HXUWFJFHSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1ncnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1C ZINC001164717560 720258195 /nfs/dbraw/zinc/25/81/95/720258195.db2.gz BDDDLQANSXQJFV-FQEVSTJZSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1ncnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1C ZINC001164717560 720258189 /nfs/dbraw/zinc/25/81/89/720258189.db2.gz BDDDLQANSXQJFV-FQEVSTJZSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1ncnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1C ZINC001164717561 720259072 /nfs/dbraw/zinc/25/90/72/720259072.db2.gz BDDDLQANSXQJFV-HXUWFJFHSA-N 1 2 405.499 0.627 20 0 HCADLO CCOC(=O)c1ncnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1C ZINC001164717561 720259062 /nfs/dbraw/zinc/25/90/62/720259062.db2.gz BDDDLQANSXQJFV-HXUWFJFHSA-N 1 2 405.499 0.627 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(SC)n3)C2)C1 ZINC001164718191 720231841 /nfs/dbraw/zinc/23/18/41/720231841.db2.gz CRTPTVSBQOIQMS-INIZCTEOSA-N 1 2 400.936 0.912 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(SC)n3)C2)C1 ZINC001164718191 720231831 /nfs/dbraw/zinc/23/18/31/720231831.db2.gz CRTPTVSBQOIQMS-INIZCTEOSA-N 1 2 400.936 0.912 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(SC)n3)C2)C1 ZINC001164718192 720232278 /nfs/dbraw/zinc/23/22/78/720232278.db2.gz CRTPTVSBQOIQMS-MRXNPFEDSA-N 1 2 400.936 0.912 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(SC)n3)C2)C1 ZINC001164718192 720232272 /nfs/dbraw/zinc/23/22/72/720232272.db2.gz CRTPTVSBQOIQMS-MRXNPFEDSA-N 1 2 400.936 0.912 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCCC3)C2)C1 ZINC001164718446 720210302 /nfs/dbraw/zinc/21/03/02/720210302.db2.gz MBTZJEGDOUIZSH-JOCHJYFZSA-N 1 2 415.538 0.982 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CCCC3)C2)C1 ZINC001164718446 720210298 /nfs/dbraw/zinc/21/02/98/720210298.db2.gz MBTZJEGDOUIZSH-JOCHJYFZSA-N 1 2 415.538 0.982 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCCC3)C2)C1 ZINC001164718447 720211262 /nfs/dbraw/zinc/21/12/62/720211262.db2.gz MBTZJEGDOUIZSH-QFIPXVFZSA-N 1 2 415.538 0.982 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CCCC3)C2)C1 ZINC001164718447 720211250 /nfs/dbraw/zinc/21/12/50/720211250.db2.gz MBTZJEGDOUIZSH-QFIPXVFZSA-N 1 2 415.538 0.982 20 0 HCADLO CCOC(=O)Cc1cnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164718667 720258911 /nfs/dbraw/zinc/25/89/11/720258911.db2.gz GLIOQDZBLCRIQQ-FQEVSTJZSA-N 1 2 405.499 0.247 20 0 HCADLO CCOC(=O)Cc1cnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164718667 720258896 /nfs/dbraw/zinc/25/88/96/720258896.db2.gz GLIOQDZBLCRIQQ-FQEVSTJZSA-N 1 2 405.499 0.247 20 0 HCADLO CCOC(=O)Cc1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164718669 720259032 /nfs/dbraw/zinc/25/90/32/720259032.db2.gz GLIOQDZBLCRIQQ-HXUWFJFHSA-N 1 2 405.499 0.247 20 0 HCADLO CCOC(=O)Cc1cnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164718669 720259023 /nfs/dbraw/zinc/25/90/23/720259023.db2.gz GLIOQDZBLCRIQQ-HXUWFJFHSA-N 1 2 405.499 0.247 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(F)cc3C(=O)OC)C2)C1 ZINC001164719002 720250397 /nfs/dbraw/zinc/25/03/97/720250397.db2.gz KAJPHNGJILYLAF-FQEVSTJZSA-N 1 2 408.474 0.981 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(F)cc3C(=O)OC)C2)C1 ZINC001164719002 720250385 /nfs/dbraw/zinc/25/03/85/720250385.db2.gz KAJPHNGJILYLAF-FQEVSTJZSA-N 1 2 408.474 0.981 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)c(F)cc3C(=O)OC)C2)C1 ZINC001164719004 720251708 /nfs/dbraw/zinc/25/17/08/720251708.db2.gz KAJPHNGJILYLAF-HXUWFJFHSA-N 1 2 408.474 0.981 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)c(F)cc3C(=O)OC)C2)C1 ZINC001164719004 720251696 /nfs/dbraw/zinc/25/16/96/720251696.db2.gz KAJPHNGJILYLAF-HXUWFJFHSA-N 1 2 408.474 0.981 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(C)C)nc(N(C)C)n3)C2)C1 ZINC001164719011 720262759 /nfs/dbraw/zinc/26/27/59/720262759.db2.gz KCIJOJRTXLQFRT-FQEVSTJZSA-N 1 2 405.547 0.726 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(C)C)nc(N(C)C)n3)C2)C1 ZINC001164719011 720262738 /nfs/dbraw/zinc/26/27/38/720262738.db2.gz KCIJOJRTXLQFRT-FQEVSTJZSA-N 1 2 405.547 0.726 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(C)C)nc(N(C)C)n3)C2)C1 ZINC001164719012 720262361 /nfs/dbraw/zinc/26/23/61/720262361.db2.gz KCIJOJRTXLQFRT-HXUWFJFHSA-N 1 2 405.547 0.726 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(C)C)nc(N(C)C)n3)C2)C1 ZINC001164719012 720262356 /nfs/dbraw/zinc/26/23/56/720262356.db2.gz KCIJOJRTXLQFRT-HXUWFJFHSA-N 1 2 405.547 0.726 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(=O)OC)n3)C2)C1 ZINC001164719240 720215250 /nfs/dbraw/zinc/21/52/50/720215250.db2.gz PHQAUOFEKNWBGH-GOSISDBHSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(=O)OC)n3)C2)C1 ZINC001164719240 720215246 /nfs/dbraw/zinc/21/52/46/720215246.db2.gz PHQAUOFEKNWBGH-GOSISDBHSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C(=O)OC)n3)C2)C1 ZINC001164719241 720215936 /nfs/dbraw/zinc/21/59/36/720215936.db2.gz PHQAUOFEKNWBGH-SFHVURJKSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C(=O)OC)n3)C2)C1 ZINC001164719241 720215931 /nfs/dbraw/zinc/21/59/31/720215931.db2.gz PHQAUOFEKNWBGH-SFHVURJKSA-N 1 2 411.890 0.581 20 0 HCADLO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(OC)c1 ZINC001164719836 720266086 /nfs/dbraw/zinc/26/60/86/720266086.db2.gz PMTJFENILCBUJQ-NRFANRHFSA-N 1 2 420.510 0.932 20 0 HCADLO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(OC)c1 ZINC001164719836 720266076 /nfs/dbraw/zinc/26/60/76/720266076.db2.gz PMTJFENILCBUJQ-NRFANRHFSA-N 1 2 420.510 0.932 20 0 HCADLO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(OC)c1 ZINC001164719837 720265104 /nfs/dbraw/zinc/26/51/04/720265104.db2.gz PMTJFENILCBUJQ-OAQYLSRUSA-N 1 2 420.510 0.932 20 0 HCADLO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(OC)c1 ZINC001164719837 720265089 /nfs/dbraw/zinc/26/50/89/720265089.db2.gz PMTJFENILCBUJQ-OAQYLSRUSA-N 1 2 420.510 0.932 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4[n-]c(C(=O)OC)cc43)C2)C1 ZINC001164720055 720220323 /nfs/dbraw/zinc/22/03/23/720220323.db2.gz VJYZQTLYZMKMAY-FQEVSTJZSA-N 1 2 416.482 0.361 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4[n-]c(C(=O)OC)cc43)C2)C1 ZINC001164720055 720220321 /nfs/dbraw/zinc/22/03/21/720220321.db2.gz VJYZQTLYZMKMAY-FQEVSTJZSA-N 1 2 416.482 0.361 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4[n-]c(C(=O)OC)cc43)C2)C1 ZINC001164720060 720220419 /nfs/dbraw/zinc/22/04/19/720220419.db2.gz VJYZQTLYZMKMAY-HXUWFJFHSA-N 1 2 416.482 0.361 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4[n-]c(C(=O)OC)cc43)C2)C1 ZINC001164720060 720220413 /nfs/dbraw/zinc/22/04/13/720220413.db2.gz VJYZQTLYZMKMAY-HXUWFJFHSA-N 1 2 416.482 0.361 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)cc3C(N)=O)C2)C1 ZINC001164720095 720230476 /nfs/dbraw/zinc/23/04/76/720230476.db2.gz VYWUAEJXBXERRG-GOSISDBHSA-N 1 2 413.881 0.638 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)cc3C(N)=O)C2)C1 ZINC001164720095 720230469 /nfs/dbraw/zinc/23/04/69/720230469.db2.gz VYWUAEJXBXERRG-GOSISDBHSA-N 1 2 413.881 0.638 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)cc3C(N)=O)C2)C1 ZINC001164720096 720229877 /nfs/dbraw/zinc/22/98/77/720229877.db2.gz VYWUAEJXBXERRG-SFHVURJKSA-N 1 2 413.881 0.638 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)cc3C(N)=O)C2)C1 ZINC001164720096 720229869 /nfs/dbraw/zinc/22/98/69/720229869.db2.gz VYWUAEJXBXERRG-SFHVURJKSA-N 1 2 413.881 0.638 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(OC)cc3C(=O)OC)C2)C1 ZINC001164720176 720234567 /nfs/dbraw/zinc/23/45/67/720234567.db2.gz RUNGZYYCKFOSCE-FQEVSTJZSA-N 1 2 406.483 0.542 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(OC)cc3C(=O)OC)C2)C1 ZINC001164720176 720234559 /nfs/dbraw/zinc/23/45/59/720234559.db2.gz RUNGZYYCKFOSCE-FQEVSTJZSA-N 1 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CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)nc3C(=O)OC)C2)C1 ZINC001164720216 720253169 /nfs/dbraw/zinc/25/31/69/720253169.db2.gz SMLJYDKCWQXJBG-GOSISDBHSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)nc3C(=O)OC)C2)C1 ZINC001164720216 720253160 /nfs/dbraw/zinc/25/31/60/720253160.db2.gz SMLJYDKCWQXJBG-GOSISDBHSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)nc3C(=O)OC)C2)C1 ZINC001164720218 720252997 /nfs/dbraw/zinc/25/29/97/720252997.db2.gz SMLJYDKCWQXJBG-SFHVURJKSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)nc3C(=O)OC)C2)C1 ZINC001164720218 720252990 /nfs/dbraw/zinc/25/29/90/720252990.db2.gz SMLJYDKCWQXJBG-SFHVURJKSA-N 1 2 411.890 0.581 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(OC)c(C(=O)OC)cn3)C2)C1 ZINC001164720342 720220480 /nfs/dbraw/zinc/22/04/80/720220480.db2.gz YULGOLNDLHZXRO-FQEVSTJZSA-N 1 2 406.483 0.542 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(OC)c(C(=O)OC)cn3)C2)C1 ZINC001164720342 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ZINC001164720605 720278244 /nfs/dbraw/zinc/27/82/44/720278244.db2.gz BFOLAXOQVWGWDT-FQEVSTJZSA-N 1 2 402.499 0.371 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3C(C)(C)C(=O)N4)C2)C1 ZINC001164720610 720277080 /nfs/dbraw/zinc/27/70/80/720277080.db2.gz BFOLAXOQVWGWDT-HXUWFJFHSA-N 1 2 402.499 0.371 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3C(C)(C)C(=O)N4)C2)C1 ZINC001164720610 720277060 /nfs/dbraw/zinc/27/70/60/720277060.db2.gz BFOLAXOQVWGWDT-HXUWFJFHSA-N 1 2 402.499 0.371 20 0 HCADLO CCOc1ccc(C(=O)OC)c(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164720625 720260059 /nfs/dbraw/zinc/26/00/59/720260059.db2.gz ZGHXDUKASXONPE-NRFANRHFSA-N 1 2 420.510 0.932 20 0 HCADLO CCOc1ccc(C(=O)OC)c(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164720625 720260049 /nfs/dbraw/zinc/26/00/49/720260049.db2.gz ZGHXDUKASXONPE-NRFANRHFSA-N 1 2 420.510 0.932 20 0 HCADLO CCOc1ccc(C(=O)OC)c(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164720627 720260851 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CCCNC(=O)c1cccnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164720942 720285767 /nfs/dbraw/zinc/28/57/67/720285767.db2.gz FTRJQRZHHMKXGF-NRFANRHFSA-N 1 2 403.527 0.886 20 0 HCADLO CCCNC(=O)c1cccnc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164720943 720285259 /nfs/dbraw/zinc/28/52/59/720285259.db2.gz FTRJQRZHHMKXGF-OAQYLSRUSA-N 1 2 403.527 0.886 20 0 HCADLO CCCNC(=O)c1cccnc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164720943 720285240 /nfs/dbraw/zinc/28/52/40/720285240.db2.gz FTRJQRZHHMKXGF-OAQYLSRUSA-N 1 2 403.527 0.886 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC4CC4)nn3)C2)C1 ZINC001164720960 720295933 /nfs/dbraw/zinc/29/59/33/720295933.db2.gz GFBGPCVLGKWNMY-FQEVSTJZSA-N 1 2 402.499 0.034 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC4CC4)nn3)C2)C1 ZINC001164720960 720295925 /nfs/dbraw/zinc/29/59/25/720295925.db2.gz GFBGPCVLGKWNMY-FQEVSTJZSA-N 1 2 402.499 0.034 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC4CC4)nn3)C2)C1 ZINC001164720961 720297104 /nfs/dbraw/zinc/29/71/04/720297104.db2.gz GFBGPCVLGKWNMY-HXUWFJFHSA-N 1 2 402.499 0.034 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC4CC4)nn3)C2)C1 ZINC001164720961 720297096 /nfs/dbraw/zinc/29/70/96/720297096.db2.gz GFBGPCVLGKWNMY-HXUWFJFHSA-N 1 2 402.499 0.034 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(ccn4C)c(OC)n3)C2)C1 ZINC001164721497 720304871 /nfs/dbraw/zinc/30/48/71/720304871.db2.gz HEMNWPIRAVLRKW-FQEVSTJZSA-N 1 2 402.499 0.642 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(ccn4C)c(OC)n3)C2)C1 ZINC001164721497 720304867 /nfs/dbraw/zinc/30/48/67/720304867.db2.gz HEMNWPIRAVLRKW-FQEVSTJZSA-N 1 2 402.499 0.642 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(ccn4C)c(OC)n3)C2)C1 ZINC001164721498 720306142 /nfs/dbraw/zinc/30/61/42/720306142.db2.gz HEMNWPIRAVLRKW-HXUWFJFHSA-N 1 2 402.499 0.642 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(ccn4C)c(OC)n3)C2)C1 ZINC001164721498 720306138 /nfs/dbraw/zinc/30/61/38/720306138.db2.gz HEMNWPIRAVLRKW-HXUWFJFHSA-N 1 2 402.499 0.642 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(SCC(=O)OC)n3)C2)C1 ZINC001164721876 720293413 /nfs/dbraw/zinc/29/34/13/720293413.db2.gz MLJUQPJNCCAEMG-IBGZPJMESA-N 1 2 423.539 0.407 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(SCC(=O)OC)n3)C2)C1 ZINC001164721876 720293403 /nfs/dbraw/zinc/29/34/03/720293403.db2.gz MLJUQPJNCCAEMG-IBGZPJMESA-N 1 2 423.539 0.407 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(SCC(=O)OC)n3)C2)C1 ZINC001164721878 720294301 /nfs/dbraw/zinc/29/43/01/720294301.db2.gz MLJUQPJNCCAEMG-LJQANCHMSA-N 1 2 423.539 0.407 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(SCC(=O)OC)n3)C2)C1 ZINC001164721878 720294291 /nfs/dbraw/zinc/29/42/91/720294291.db2.gz MLJUQPJNCCAEMG-LJQANCHMSA-N 1 2 423.539 0.407 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3ccc(Cl)nn3)C2)C1 ZINC001164721935 720308794 /nfs/dbraw/zinc/30/87/94/720308794.db2.gz JAELVMVDDGPNFN-DLBZAZTESA-N 1 2 401.870 0.922 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3ccc(Cl)nn3)C2)C1 ZINC001164721935 720308784 /nfs/dbraw/zinc/30/87/84/720308784.db2.gz JAELVMVDDGPNFN-DLBZAZTESA-N 1 2 401.870 0.922 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3ccc(Cl)nn3)C2)C1 ZINC001164721936 720308350 /nfs/dbraw/zinc/30/83/50/720308350.db2.gz JAELVMVDDGPNFN-IAGOWNOFSA-N 1 2 401.870 0.922 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3ccc(Cl)nn3)C2)C1 ZINC001164721936 720308344 /nfs/dbraw/zinc/30/83/44/720308344.db2.gz JAELVMVDDGPNFN-IAGOWNOFSA-N 1 2 401.870 0.922 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccc(Cl)nn3)C2)C1 ZINC001164721938 720308856 /nfs/dbraw/zinc/30/88/56/720308856.db2.gz JAELVMVDDGPNFN-IRXDYDNUSA-N 1 2 401.870 0.922 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccc(Cl)nn3)C2)C1 ZINC001164721938 720308847 /nfs/dbraw/zinc/30/88/47/720308847.db2.gz JAELVMVDDGPNFN-IRXDYDNUSA-N 1 2 401.870 0.922 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccc(Cl)nn3)C2)C1 ZINC001164721939 720309852 /nfs/dbraw/zinc/30/98/52/720309852.db2.gz JAELVMVDDGPNFN-SJORKVTESA-N 1 2 401.870 0.922 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccc(Cl)nn3)C2)C1 ZINC001164721939 720309847 /nfs/dbraw/zinc/30/98/47/720309847.db2.gz JAELVMVDDGPNFN-SJORKVTESA-N 1 2 401.870 0.922 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4ncnc(Cl)c4n3)C2)C1 ZINC001164723218 720266437 /nfs/dbraw/zinc/26/64/37/720266437.db2.gz ULOZXOMQQJFMTB-GOSISDBHSA-N 1 2 405.890 0.738 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4ncnc(Cl)c4n3)C2)C1 ZINC001164723218 720266433 /nfs/dbraw/zinc/26/64/33/720266433.db2.gz ULOZXOMQQJFMTB-GOSISDBHSA-N 1 2 405.890 0.738 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4ncnc(Cl)c4n3)C2)C1 ZINC001164723219 720268117 /nfs/dbraw/zinc/26/81/17/720268117.db2.gz ULOZXOMQQJFMTB-SFHVURJKSA-N 1 2 405.890 0.738 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4ncnc(Cl)c4n3)C2)C1 ZINC001164723219 720268105 /nfs/dbraw/zinc/26/81/05/720268105.db2.gz ULOZXOMQQJFMTB-SFHVURJKSA-N 1 2 405.890 0.738 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(=O)NC)n3)C2)C1 ZINC001164723340 720307574 /nfs/dbraw/zinc/30/75/74/720307574.db2.gz NSMKWRMUJMQAHG-GOSISDBHSA-N 1 2 410.906 0.154 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(=O)NC)n3)C2)C1 ZINC001164723340 720307565 /nfs/dbraw/zinc/30/75/65/720307565.db2.gz NSMKWRMUJMQAHG-GOSISDBHSA-N 1 2 410.906 0.154 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C(=O)NC)n3)C2)C1 ZINC001164723341 720308585 /nfs/dbraw/zinc/30/85/85/720308585.db2.gz NSMKWRMUJMQAHG-SFHVURJKSA-N 1 2 410.906 0.154 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C(=O)NC)n3)C2)C1 ZINC001164723341 720308580 /nfs/dbraw/zinc/30/85/80/720308580.db2.gz NSMKWRMUJMQAHG-SFHVURJKSA-N 1 2 410.906 0.154 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-n4cncn4)nc(C)n3)C2)C1 ZINC001164723372 720301048 /nfs/dbraw/zinc/30/10/48/720301048.db2.gz OIESQEASBNEALW-IBGZPJMESA-N 1 2 400.487 0.031 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-n4cncn4)nc(C)n3)C2)C1 ZINC001164723372 720301040 /nfs/dbraw/zinc/30/10/40/720301040.db2.gz OIESQEASBNEALW-IBGZPJMESA-N 1 2 400.487 0.031 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-n4cncn4)nc(C)n3)C2)C1 ZINC001164723373 720301948 /nfs/dbraw/zinc/30/19/48/720301948.db2.gz OIESQEASBNEALW-LJQANCHMSA-N 1 2 400.487 0.031 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-n4cncn4)nc(C)n3)C2)C1 ZINC001164723373 720301939 /nfs/dbraw/zinc/30/19/39/720301939.db2.gz OIESQEASBNEALW-LJQANCHMSA-N 1 2 400.487 0.031 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3NC(=O)CS4)C2)C1 ZINC001164724584 720308176 /nfs/dbraw/zinc/30/81/76/720308176.db2.gz RLBOWWHYRYFNOD-GOSISDBHSA-N 1 2 406.512 0.186 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3NC(=O)CS4)C2)C1 ZINC001164724584 720308171 /nfs/dbraw/zinc/30/81/71/720308171.db2.gz RLBOWWHYRYFNOD-GOSISDBHSA-N 1 2 406.512 0.186 20 0 HCADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3NC(=O)CS4)C2)C1 ZINC001164724585 720308684 /nfs/dbraw/zinc/30/86/84/720308684.db2.gz RLBOWWHYRYFNOD-SFHVURJKSA-N 1 2 406.512 0.186 20 0 HCADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3NC(=O)CS4)C2)C1 ZINC001164724585 720308678 /nfs/dbraw/zinc/30/86/78/720308678.db2.gz RLBOWWHYRYFNOD-SFHVURJKSA-N 1 2 406.512 0.186 20 0 HCADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739148 720604468 /nfs/dbraw/zinc/60/44/68/720604468.db2.gz FPAMZWIELKDCET-NEPJUHHUSA-N 1 2 410.887 0.665 20 0 HCADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739148 720604454 /nfs/dbraw/zinc/60/44/54/720604454.db2.gz FPAMZWIELKDCET-NEPJUHHUSA-N 1 2 410.887 0.665 20 0 HCADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739149 720603341 /nfs/dbraw/zinc/60/33/41/720603341.db2.gz FPAMZWIELKDCET-NWDGAFQWSA-N 1 2 410.887 0.665 20 0 HCADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739149 720603328 /nfs/dbraw/zinc/60/33/28/720603328.db2.gz FPAMZWIELKDCET-NWDGAFQWSA-N 1 2 410.887 0.665 20 0 HCADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739151 720604086 /nfs/dbraw/zinc/60/40/86/720604086.db2.gz FPAMZWIELKDCET-RYUDHWBXSA-N 1 2 410.887 0.665 20 0 HCADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739151 720604077 /nfs/dbraw/zinc/60/40/77/720604077.db2.gz FPAMZWIELKDCET-RYUDHWBXSA-N 1 2 410.887 0.665 20 0 HCADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739153 720603834 /nfs/dbraw/zinc/60/38/34/720603834.db2.gz FPAMZWIELKDCET-VXGBXAGGSA-N 1 2 410.887 0.665 20 0 HCADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739153 720603821 /nfs/dbraw/zinc/60/38/21/720603821.db2.gz FPAMZWIELKDCET-VXGBXAGGSA-N 1 2 410.887 0.665 20 0 HCADLO COc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164741102 720701210 /nfs/dbraw/zinc/70/12/10/720701210.db2.gz STRBNEQNFLGHDD-CHWSQXEVSA-N 1 2 406.468 0.021 20 0 HCADLO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164741102 720701202 /nfs/dbraw/zinc/70/12/02/720701202.db2.gz STRBNEQNFLGHDD-CHWSQXEVSA-N 1 2 406.468 0.021 20 0 HCADLO COc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164741103 720702183 /nfs/dbraw/zinc/70/21/83/720702183.db2.gz STRBNEQNFLGHDD-OLZOCXBDSA-N 1 2 406.468 0.021 20 0 HCADLO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164741103 720702172 /nfs/dbraw/zinc/70/21/72/720702172.db2.gz STRBNEQNFLGHDD-OLZOCXBDSA-N 1 2 406.468 0.021 20 0 HCADLO COc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164741104 720702376 /nfs/dbraw/zinc/70/23/76/720702376.db2.gz STRBNEQNFLGHDD-QWHCGFSZSA-N 1 2 406.468 0.021 20 0 HCADLO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164741104 720702366 /nfs/dbraw/zinc/70/23/66/720702366.db2.gz STRBNEQNFLGHDD-QWHCGFSZSA-N 1 2 406.468 0.021 20 0 HCADLO COc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164741106 720700648 /nfs/dbraw/zinc/70/06/48/720700648.db2.gz STRBNEQNFLGHDD-STQMWFEESA-N 1 2 406.468 0.021 20 0 HCADLO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164741106 720700641 /nfs/dbraw/zinc/70/06/41/720700641.db2.gz STRBNEQNFLGHDD-STQMWFEESA-N 1 2 406.468 0.021 20 0 HCADLO COc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164772282 721137171 /nfs/dbraw/zinc/13/71/71/721137171.db2.gz VFXWFFRFEJTNIC-CABCVRRESA-N 1 2 406.512 0.581 20 0 HCADLO COc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164772282 721137167 /nfs/dbraw/zinc/13/71/67/721137167.db2.gz VFXWFFRFEJTNIC-CABCVRRESA-N 1 2 406.512 0.581 20 0 HCADLO COc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164772283 721136080 /nfs/dbraw/zinc/13/60/80/721136080.db2.gz VFXWFFRFEJTNIC-GJZGRUSLSA-N 1 2 406.512 0.581 20 0 HCADLO COc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164772283 721136072 /nfs/dbraw/zinc/13/60/72/721136072.db2.gz VFXWFFRFEJTNIC-GJZGRUSLSA-N 1 2 406.512 0.581 20 0 HCADLO COc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164772284 721136436 /nfs/dbraw/zinc/13/64/36/721136436.db2.gz VFXWFFRFEJTNIC-HUUCEWRRSA-N 1 2 406.512 0.581 20 0 HCADLO COc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164772284 721136426 /nfs/dbraw/zinc/13/64/26/721136426.db2.gz VFXWFFRFEJTNIC-HUUCEWRRSA-N 1 2 406.512 0.581 20 0 HCADLO COc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164772285 721137018 /nfs/dbraw/zinc/13/70/18/721137018.db2.gz VFXWFFRFEJTNIC-LSDHHAIUSA-N 1 2 406.512 0.581 20 0 HCADLO COc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164772285 721137009 /nfs/dbraw/zinc/13/70/09/721137009.db2.gz VFXWFFRFEJTNIC-LSDHHAIUSA-N 1 2 406.512 0.581 20 0 HCADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCn2cc(CN3CCN(C)CC3)[nH+]c2C1 ZINC001164794558 721510168 /nfs/dbraw/zinc/51/01/68/721510168.db2.gz RYAVWXHAQLFITR-UHFFFAOYSA-N 1 2 410.482 0.660 20 0 HCADLO Cn1cnc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164821951 720437887 /nfs/dbraw/zinc/43/78/87/720437887.db2.gz BELDYOCJAFMQOT-HNNXBMFYSA-N 1 2 412.498 0.549 20 0 HCADLO Cn1cnc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164821952 720437590 /nfs/dbraw/zinc/43/75/90/720437590.db2.gz BELDYOCJAFMQOT-OAHLLOKOSA-N 1 2 412.498 0.549 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C(N)=O)ccn1)C2 ZINC001164822021 720432339 /nfs/dbraw/zinc/43/23/39/720432339.db2.gz AKBZEQYVUNGPHH-INIZCTEOSA-N 1 2 400.483 0.367 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C(N)=O)ccn1)C2 ZINC001164822024 720431347 /nfs/dbraw/zinc/43/13/47/720431347.db2.gz AKBZEQYVUNGPHH-MRXNPFEDSA-N 1 2 400.483 0.367 20 0 HCADLO COc1ncnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164822310 720449044 /nfs/dbraw/zinc/44/90/44/720449044.db2.gz COXIIFUGCMBZOV-INIZCTEOSA-N 1 2 402.499 0.980 20 0 HCADLO COc1ncnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164822312 720448531 /nfs/dbraw/zinc/44/85/31/720448531.db2.gz COXIIFUGCMBZOV-MRXNPFEDSA-N 1 2 402.499 0.980 20 0 HCADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cn1 ZINC001164822480 720430224 /nfs/dbraw/zinc/43/02/24/720430224.db2.gz CFBGHZFKMUZHPC-HNNXBMFYSA-N 1 2 416.482 0.449 20 0 HCADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cn1 ZINC001164822481 720430867 /nfs/dbraw/zinc/43/08/67/720430867.db2.gz CFBGHZFKMUZHPC-OAHLLOKOSA-N 1 2 416.482 0.449 20 0 HCADLO COC(=O)c1nccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822673 720437004 /nfs/dbraw/zinc/43/70/04/720437004.db2.gz FXZWMFJPVGPQQR-HNNXBMFYSA-N 1 2 416.482 0.449 20 0 HCADLO COC(=O)c1nccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822674 720436930 /nfs/dbraw/zinc/43/69/30/720436930.db2.gz FXZWMFJPVGPQQR-OAHLLOKOSA-N 1 2 416.482 0.449 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3c1C(=O)NC3)C2 ZINC001164822789 720452518 /nfs/dbraw/zinc/45/25/18/720452518.db2.gz HVBLRTNTWNQCOL-INIZCTEOSA-N 1 2 412.494 0.511 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3c1C(=O)NC3)C2 ZINC001164822790 720452438 /nfs/dbraw/zinc/45/24/38/720452438.db2.gz HVBLRTNTWNQCOL-MRXNPFEDSA-N 1 2 412.494 0.511 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(N)n1)C2 ZINC001164823026 720426393 /nfs/dbraw/zinc/42/63/93/720426393.db2.gz GXEPPRNYZQDESI-CYBMUJFWSA-N 1 2 407.906 0.898 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(N)n1)C2 ZINC001164823027 720426746 /nfs/dbraw/zinc/42/67/46/720426746.db2.gz GXEPPRNYZQDESI-ZDUSSCGKSA-N 1 2 407.906 0.898 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3c(cn1)NC(=O)C3)C2 ZINC001164823421 720437021 /nfs/dbraw/zinc/43/70/21/720437021.db2.gz JPQYBBBPPYVSCV-INIZCTEOSA-N 1 2 412.494 0.762 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3c(cn1)NC(=O)C3)C2 ZINC001164823422 720436705 /nfs/dbraw/zinc/43/67/05/720436705.db2.gz JPQYBBBPPYVSCV-MRXNPFEDSA-N 1 2 412.494 0.762 20 0 HCADLO COc1ncc(F)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823433 720449354 /nfs/dbraw/zinc/44/93/54/720449354.db2.gz JSKSWWCUYGLUSN-AWEZNQCLSA-N 1 2 406.462 0.810 20 0 HCADLO COc1ncc(F)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823434 720449144 /nfs/dbraw/zinc/44/91/44/720449144.db2.gz JSKSWWCUYGLUSN-CQSZACIVSA-N 1 2 406.462 0.810 20 0 HCADLO COCc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823484 720448252 /nfs/dbraw/zinc/44/82/52/720448252.db2.gz KGCGSMZRPAACTA-INIZCTEOSA-N 1 2 402.499 0.809 20 0 HCADLO COCc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823485 720448903 /nfs/dbraw/zinc/44/89/03/720448903.db2.gz KGCGSMZRPAACTA-MRXNPFEDSA-N 1 2 402.499 0.809 20 0 HCADLO COc1nc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823494 720442910 /nfs/dbraw/zinc/44/29/10/720442910.db2.gz KRSAVIJZQGJHBY-CYBMUJFWSA-N 1 2 423.905 0.720 20 0 HCADLO COc1nc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823495 720442096 /nfs/dbraw/zinc/44/20/96/720442096.db2.gz KRSAVIJZQGJHBY-ZDUSSCGKSA-N 1 2 423.905 0.720 20 0 HCADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(N)=O)nn4)CC3)C2=O)cs1 ZINC001164824170 720362729 /nfs/dbraw/zinc/36/27/29/720362729.db2.gz KEKFMJLNTDAOEI-UHFFFAOYSA-N 1 2 415.523 0.654 20 0 HCADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(N)=O)nn4)CC3)C2=O)cs1 ZINC001164824170 720362724 /nfs/dbraw/zinc/36/27/24/720362724.db2.gz KEKFMJLNTDAOEI-UHFFFAOYSA-N 1 2 415.523 0.654 20 0 HCADLO COc1cc(C)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824519 720448354 /nfs/dbraw/zinc/44/83/54/720448354.db2.gz NNDSTZQTBMURDF-INIZCTEOSA-N 1 2 402.499 0.980 20 0 HCADLO COc1cc(C)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824521 720448451 /nfs/dbraw/zinc/44/84/51/720448451.db2.gz NNDSTZQTBMURDF-MRXNPFEDSA-N 1 2 402.499 0.980 20 0 HCADLO Cc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C(N)=O ZINC001164824570 720446572 /nfs/dbraw/zinc/44/65/72/720446572.db2.gz OBKBDDJXVTVXGU-INIZCTEOSA-N 1 2 414.510 0.675 20 0 HCADLO Cc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C(N)=O ZINC001164824588 720447739 /nfs/dbraw/zinc/44/77/39/720447739.db2.gz OBKBDDJXVTVXGU-MRXNPFEDSA-N 1 2 414.510 0.675 20 0 HCADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164824655 720448499 /nfs/dbraw/zinc/44/84/99/720448499.db2.gz OUSGPCDUAHOECW-HNNXBMFYSA-N 1 2 416.482 0.449 20 0 HCADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164824657 720449131 /nfs/dbraw/zinc/44/91/31/720449131.db2.gz OUSGPCDUAHOECW-OAHLLOKOSA-N 1 2 416.482 0.449 20 0 HCADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164824788 720366162 /nfs/dbraw/zinc/36/61/62/720366162.db2.gz LEEQKIRZRQPMMM-UHFFFAOYSA-N 1 2 415.523 0.654 20 0 HCADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164824788 720366158 /nfs/dbraw/zinc/36/61/58/720366158.db2.gz LEEQKIRZRQPMMM-UHFFFAOYSA-N 1 2 415.523 0.654 20 0 HCADLO COc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1OC ZINC001164825076 720451999 /nfs/dbraw/zinc/45/19/99/720451999.db2.gz PUZKALPFPPSOQQ-HNNXBMFYSA-N 1 2 418.498 0.680 20 0 HCADLO COc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1OC ZINC001164825077 720451557 /nfs/dbraw/zinc/45/15/57/720451557.db2.gz PUZKALPFPPSOQQ-OAHLLOKOSA-N 1 2 418.498 0.680 20 0 HCADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164825079 720437565 /nfs/dbraw/zinc/43/75/65/720437565.db2.gz PXOOHYQJUUSMJJ-INIZCTEOSA-N 1 2 416.482 0.449 20 0 HCADLO COC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164825081 720438336 /nfs/dbraw/zinc/43/83/36/720438336.db2.gz PXOOHYQJUUSMJJ-MRXNPFEDSA-N 1 2 416.482 0.449 20 0 HCADLO Cn1cnc2c1ncnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164825125 720434430 /nfs/dbraw/zinc/43/44/30/720434430.db2.gz QFAWUFRBOMVYOC-HNNXBMFYSA-N 1 2 412.498 0.549 20 0 HCADLO Cn1cnc2c1ncnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164825128 720434745 /nfs/dbraw/zinc/43/47/45/720434745.db2.gz QFAWUFRBOMVYOC-OAHLLOKOSA-N 1 2 412.498 0.549 20 0 HCADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164825517 720361420 /nfs/dbraw/zinc/36/14/20/720361420.db2.gz QEFJZRQDBZQTBO-UHFFFAOYSA-N 1 2 415.523 0.654 20 0 HCADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164825517 720361411 /nfs/dbraw/zinc/36/14/11/720361411.db2.gz QEFJZRQDBZQTBO-UHFFFAOYSA-N 1 2 415.523 0.654 20 0 HCADLO COC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164825646 720435185 /nfs/dbraw/zinc/43/51/85/720435185.db2.gz TUAKBVMURMVPAH-HNNXBMFYSA-N 1 2 416.482 0.449 20 0 HCADLO COC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164825648 720435589 /nfs/dbraw/zinc/43/55/89/720435589.db2.gz TUAKBVMURMVPAH-OAHLLOKOSA-N 1 2 416.482 0.449 20 0 HCADLO Cn1cnc2cnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc21 ZINC001164825672 720449025 /nfs/dbraw/zinc/44/90/25/720449025.db2.gz UFNQJRUFONSVIH-HNNXBMFYSA-N 1 2 412.498 0.549 20 0 HCADLO Cn1cnc2cnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc21 ZINC001164825675 720448835 /nfs/dbraw/zinc/44/88/35/720448835.db2.gz UFNQJRUFONSVIH-OAHLLOKOSA-N 1 2 412.498 0.549 20 0 HCADLO COc1cc(OC)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825693 720439344 /nfs/dbraw/zinc/43/93/44/720439344.db2.gz UIRRTALQBHYJES-HNNXBMFYSA-N 1 2 418.498 0.680 20 0 HCADLO COc1cc(OC)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825699 720439310 /nfs/dbraw/zinc/43/93/10/720439310.db2.gz UIRRTALQBHYJES-OAHLLOKOSA-N 1 2 418.498 0.680 20 0 HCADLO COC(=O)c1cncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826432 720454038 /nfs/dbraw/zinc/45/40/38/720454038.db2.gz WKPALKQLEDRZAW-HNNXBMFYSA-N 1 2 416.482 0.449 20 0 HCADLO COC(=O)c1cncnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826434 720454696 /nfs/dbraw/zinc/45/46/96/720454696.db2.gz WKPALKQLEDRZAW-OAHLLOKOSA-N 1 2 416.482 0.449 20 0 HCADLO CN(C)c1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826459 720433553 /nfs/dbraw/zinc/43/35/53/720433553.db2.gz XCRLWUWUUAYTSL-INIZCTEOSA-N 1 2 401.515 0.729 20 0 HCADLO CN(C)c1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826460 720433143 /nfs/dbraw/zinc/43/31/43/720433143.db2.gz XCRLWUWUUAYTSL-MRXNPFEDSA-N 1 2 401.515 0.729 20 0 HCADLO CN(C)c1nccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826465 720445598 /nfs/dbraw/zinc/44/55/98/720445598.db2.gz XHHNMDFNWFYDRJ-INIZCTEOSA-N 1 2 401.515 0.729 20 0 HCADLO CN(C)c1nccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826466 720445957 /nfs/dbraw/zinc/44/59/57/720445957.db2.gz XHHNMDFNWFYDRJ-MRXNPFEDSA-N 1 2 401.515 0.729 20 0 HCADLO COC(=O)c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827001 720439380 /nfs/dbraw/zinc/43/93/80/720439380.db2.gz XZNUPKNPMIQESO-HNNXBMFYSA-N 1 2 416.482 0.449 20 0 HCADLO COC(=O)c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827002 720438995 /nfs/dbraw/zinc/43/89/95/720438995.db2.gz XZNUPKNPMIQESO-OAHLLOKOSA-N 1 2 416.482 0.449 20 0 HCADLO COc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(C)n1 ZINC001164827039 720450080 /nfs/dbraw/zinc/45/00/80/720450080.db2.gz YSNOBIUYKRRWLV-INIZCTEOSA-N 1 2 402.499 0.980 20 0 HCADLO COc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(C)n1 ZINC001164827041 720449816 /nfs/dbraw/zinc/44/98/16/720449816.db2.gz YSNOBIUYKRRWLV-MRXNPFEDSA-N 1 2 402.499 0.980 20 0 HCADLO COc1nc(C)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827131 720451158 /nfs/dbraw/zinc/45/11/58/720451158.db2.gz ZGYHOWGAUIPCTH-INIZCTEOSA-N 1 2 402.499 0.980 20 0 HCADLO COc1nc(C)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827135 720451422 /nfs/dbraw/zinc/45/14/22/720451422.db2.gz ZGYHOWGAUIPCTH-MRXNPFEDSA-N 1 2 402.499 0.980 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(N)=O)C2 ZINC001164828529 720430366 /nfs/dbraw/zinc/43/03/66/720430366.db2.gz WVBQSPIQGOOZHL-HNNXBMFYSA-N 1 2 400.483 0.367 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C(N)=O)C2 ZINC001164828530 720430265 /nfs/dbraw/zinc/43/02/65/720430265.db2.gz WVBQSPIQGOOZHL-OAHLLOKOSA-N 1 2 400.483 0.367 20 0 HCADLO Cc1ccc(C(N)=O)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828787 720470021 /nfs/dbraw/zinc/47/00/21/720470021.db2.gz ASRUBSGPEOBCSG-INIZCTEOSA-N 1 2 414.510 0.675 20 0 HCADLO Cc1ccc(C(N)=O)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828789 720470171 /nfs/dbraw/zinc/47/01/71/720470171.db2.gz ASRUBSGPEOBCSG-MRXNPFEDSA-N 1 2 414.510 0.675 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(-n3ccnc3)n1)C2 ZINC001164829205 720463650 /nfs/dbraw/zinc/46/36/50/720463650.db2.gz DMYIMFKGFYPHBC-KRWDZBQOSA-N 1 2 424.509 0.848 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(-n3ccnc3)n1)C2 ZINC001164829206 720463275 /nfs/dbraw/zinc/46/32/75/720463275.db2.gz DMYIMFKGFYPHBC-QGZVFWFLSA-N 1 2 424.509 0.848 20 0 HCADLO CNC(=O)c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164829680 720463773 /nfs/dbraw/zinc/46/37/73/720463773.db2.gz GORQTOBGWZPPAR-KRWDZBQOSA-N 1 2 414.510 0.627 20 0 HCADLO CNC(=O)c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164829683 720463404 /nfs/dbraw/zinc/46/34/04/720463404.db2.gz GORQTOBGWZPPAR-QGZVFWFLSA-N 1 2 414.510 0.627 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-n3ccnc3)nn1)C2 ZINC001164830667 720462306 /nfs/dbraw/zinc/46/23/06/720462306.db2.gz KQQFXIDBXRMSLP-KRWDZBQOSA-N 1 2 424.509 0.848 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-n3ccnc3)nn1)C2 ZINC001164830669 720461570 /nfs/dbraw/zinc/46/15/70/720461570.db2.gz KQQFXIDBXRMSLP-QGZVFWFLSA-N 1 2 424.509 0.848 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3c(nn1)CCOC3)C2 ZINC001164831463 720479899 /nfs/dbraw/zinc/47/98/99/720479899.db2.gz GHOCGIXHFIZLKN-KRWDZBQOSA-N 1 2 414.510 0.735 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3c(nn1)CCOC3)C2 ZINC001164831464 720479596 /nfs/dbraw/zinc/47/95/96/720479596.db2.gz GHOCGIXHFIZLKN-QGZVFWFLSA-N 1 2 414.510 0.735 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(C(N)=O)n1)C2 ZINC001164831731 720460165 /nfs/dbraw/zinc/46/01/65/720460165.db2.gz PCSHNLVSHMHRGJ-HNNXBMFYSA-N 1 2 400.483 0.367 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(C(N)=O)n1)C2 ZINC001164831732 720460531 /nfs/dbraw/zinc/46/05/31/720460531.db2.gz PCSHNLVSHMHRGJ-OAHLLOKOSA-N 1 2 400.483 0.367 20 0 HCADLO CNC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164831817 720475413 /nfs/dbraw/zinc/47/54/13/720475413.db2.gz RLCCHUHICXEAAZ-HNNXBMFYSA-N 1 2 415.498 0.022 20 0 HCADLO CNC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164831818 720475121 /nfs/dbraw/zinc/47/51/21/720475121.db2.gz RLCCHUHICXEAAZ-OAHLLOKOSA-N 1 2 415.498 0.022 20 0 HCADLO Cc1nc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ncc2[nH]1 ZINC001164832669 720464404 /nfs/dbraw/zinc/46/44/04/720464404.db2.gz VHLHJVJJKLUHFA-HNNXBMFYSA-N 1 2 412.498 0.799 20 0 HCADLO Cc1nc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ncc2[nH]1 ZINC001164832670 720464429 /nfs/dbraw/zinc/46/44/29/720464429.db2.gz VHLHJVJJKLUHFA-OAHLLOKOSA-N 1 2 412.498 0.799 20 0 HCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)cc1C(N)=O)C2 ZINC001164833061 720467138 /nfs/dbraw/zinc/46/71/38/720467138.db2.gz XVJRVYSFNOIEQC-AWEZNQCLSA-N 1 2 418.473 0.506 20 0 HCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)cc1C(N)=O)C2 ZINC001164833062 720467362 /nfs/dbraw/zinc/46/73/62/720467362.db2.gz XVJRVYSFNOIEQC-CQSZACIVSA-N 1 2 418.473 0.506 20 0 HCADLO CNC(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833063 720462554 /nfs/dbraw/zinc/46/25/54/720462554.db2.gz XVWMPQNNKLDUDY-INIZCTEOSA-N 1 2 414.510 0.627 20 0 HCADLO CNC(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833064 720462495 /nfs/dbraw/zinc/46/24/95/720462495.db2.gz XVWMPQNNKLDUDY-MRXNPFEDSA-N 1 2 414.510 0.627 20 0 HCADLO COCc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164833840 720480159 /nfs/dbraw/zinc/48/01/59/720480159.db2.gz QPUXSGOJSQLSPM-INIZCTEOSA-N 1 2 402.499 0.809 20 0 HCADLO COCc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164833841 720479197 /nfs/dbraw/zinc/47/91/97/720479197.db2.gz QPUXSGOJSQLSPM-MRXNPFEDSA-N 1 2 402.499 0.809 20 0 HCADLO NC(=O)c1ncc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911001 721778177 /nfs/dbraw/zinc/77/81/77/721778177.db2.gz DDJSFLHQYRASHP-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1ncc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911001 721778174 /nfs/dbraw/zinc/77/81/74/721778174.db2.gz DDJSFLHQYRASHP-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1ncc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911004 721778025 /nfs/dbraw/zinc/77/80/25/721778025.db2.gz DDJSFLHQYRASHP-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1ncc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911004 721778023 /nfs/dbraw/zinc/77/80/23/721778023.db2.gz DDJSFLHQYRASHP-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO COc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(OC)n1 ZINC001164911586 721775236 /nfs/dbraw/zinc/77/52/36/721775236.db2.gz HMPPXMZHIWUPPH-FQEVSTJZSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(OC)n1 ZINC001164911586 721775235 /nfs/dbraw/zinc/77/52/35/721775235.db2.gz HMPPXMZHIWUPPH-FQEVSTJZSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(OC)n1 ZINC001164911588 721775352 /nfs/dbraw/zinc/77/53/52/721775352.db2.gz HMPPXMZHIWUPPH-HXUWFJFHSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(OC)n1 ZINC001164911588 721775347 /nfs/dbraw/zinc/77/53/47/721775347.db2.gz HMPPXMZHIWUPPH-HXUWFJFHSA-N 1 2 401.467 0.997 20 0 HCADLO COC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1N ZINC001164912416 721775950 /nfs/dbraw/zinc/77/59/50/721775950.db2.gz LRKFGJCREAOYBN-NRFANRHFSA-N 1 2 413.478 0.953 20 0 HCADLO COC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1N ZINC001164912416 721775947 /nfs/dbraw/zinc/77/59/47/721775947.db2.gz LRKFGJCREAOYBN-NRFANRHFSA-N 1 2 413.478 0.953 20 0 HCADLO COC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1N ZINC001164912418 721777062 /nfs/dbraw/zinc/77/70/62/721777062.db2.gz LRKFGJCREAOYBN-OAQYLSRUSA-N 1 2 413.478 0.953 20 0 HCADLO COC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1N ZINC001164912418 721777059 /nfs/dbraw/zinc/77/70/59/721777059.db2.gz LRKFGJCREAOYBN-OAQYLSRUSA-N 1 2 413.478 0.953 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164912674 721778718 /nfs/dbraw/zinc/77/87/18/721778718.db2.gz OGRRYYZKQGWDRV-IBGZPJMESA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164912674 721778715 /nfs/dbraw/zinc/77/87/15/721778715.db2.gz OGRRYYZKQGWDRV-IBGZPJMESA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164912676 721779161 /nfs/dbraw/zinc/77/91/61/721779161.db2.gz OGRRYYZKQGWDRV-LJQANCHMSA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164912676 721779156 /nfs/dbraw/zinc/77/91/56/721779156.db2.gz OGRRYYZKQGWDRV-LJQANCHMSA-N 1 2 419.507 0.232 20 0 HCADLO NC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912800 721777938 /nfs/dbraw/zinc/77/79/38/721777938.db2.gz PZPOKWSYZGNRMD-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912800 721777927 /nfs/dbraw/zinc/77/79/27/721777927.db2.gz PZPOKWSYZGNRMD-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912802 721778256 /nfs/dbraw/zinc/77/82/56/721778256.db2.gz PZPOKWSYZGNRMD-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912802 721778249 /nfs/dbraw/zinc/77/82/49/721778249.db2.gz PZPOKWSYZGNRMD-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO COc1cc(OC)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912817 721774096 /nfs/dbraw/zinc/77/40/96/721774096.db2.gz QFIZXBAVNCDQFF-FQEVSTJZSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cc(OC)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912817 721774094 /nfs/dbraw/zinc/77/40/94/721774094.db2.gz QFIZXBAVNCDQFF-FQEVSTJZSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cc(OC)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912818 721774616 /nfs/dbraw/zinc/77/46/16/721774616.db2.gz QFIZXBAVNCDQFF-HXUWFJFHSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cc(OC)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912818 721774610 /nfs/dbraw/zinc/77/46/10/721774610.db2.gz QFIZXBAVNCDQFF-HXUWFJFHSA-N 1 2 401.467 0.997 20 0 HCADLO NS(=O)(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912986 721771794 /nfs/dbraw/zinc/77/17/94/721771794.db2.gz SOFKOYGLINOKGK-IBGZPJMESA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912986 721771787 /nfs/dbraw/zinc/77/17/87/721771787.db2.gz SOFKOYGLINOKGK-IBGZPJMESA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912987 721772287 /nfs/dbraw/zinc/77/22/87/721772287.db2.gz SOFKOYGLINOKGK-LJQANCHMSA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912987 721772284 /nfs/dbraw/zinc/77/22/84/721772284.db2.gz SOFKOYGLINOKGK-LJQANCHMSA-N 1 2 419.507 0.232 20 0 HCADLO Cc1cc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)C(=O)NC2=O ZINC001164913182 721793282 /nfs/dbraw/zinc/79/32/82/721793282.db2.gz AMXBIGMXPXJKME-JOCHJYFZSA-N 1 2 423.473 0.776 20 0 HCADLO Cc1cc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)C(=O)NC2=O ZINC001164913182 721793279 /nfs/dbraw/zinc/79/32/79/721793279.db2.gz AMXBIGMXPXJKME-JOCHJYFZSA-N 1 2 423.473 0.776 20 0 HCADLO Cc1cc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)C(=O)NC2=O ZINC001164913183 721792916 /nfs/dbraw/zinc/79/29/16/721792916.db2.gz AMXBIGMXPXJKME-QFIPXVFZSA-N 1 2 423.473 0.776 20 0 HCADLO Cc1cc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)C(=O)NC2=O ZINC001164913183 721792914 /nfs/dbraw/zinc/79/29/14/721792914.db2.gz AMXBIGMXPXJKME-QFIPXVFZSA-N 1 2 423.473 0.776 20 0 HCADLO CCNC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164913250 721797803 /nfs/dbraw/zinc/79/78/03/721797803.db2.gz BZLSUFIRFYJSOL-NRFANRHFSA-N 1 2 412.494 0.729 20 0 HCADLO CCNC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164913250 721797800 /nfs/dbraw/zinc/79/78/00/721797800.db2.gz BZLSUFIRFYJSOL-NRFANRHFSA-N 1 2 412.494 0.729 20 0 HCADLO CCNC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164913251 721797510 /nfs/dbraw/zinc/79/75/10/721797510.db2.gz BZLSUFIRFYJSOL-OAQYLSRUSA-N 1 2 412.494 0.729 20 0 HCADLO CCNC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164913251 721797505 /nfs/dbraw/zinc/79/75/05/721797505.db2.gz BZLSUFIRFYJSOL-OAQYLSRUSA-N 1 2 412.494 0.729 20 0 HCADLO c1ncn(-c2cncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)n1 ZINC001164913438 721795856 /nfs/dbraw/zinc/79/58/56/721795856.db2.gz CZXZLZPFVQMCAK-FQEVSTJZSA-N 1 2 408.466 0.560 20 0 HCADLO c1ncn(-c2cncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)n1 ZINC001164913438 721795853 /nfs/dbraw/zinc/79/58/53/721795853.db2.gz CZXZLZPFVQMCAK-FQEVSTJZSA-N 1 2 408.466 0.560 20 0 HCADLO c1ncn(-c2cncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)n1 ZINC001164913439 721796429 /nfs/dbraw/zinc/79/64/29/721796429.db2.gz CZXZLZPFVQMCAK-HXUWFJFHSA-N 1 2 408.466 0.560 20 0 HCADLO c1ncn(-c2cncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)n1 ZINC001164913439 721796427 /nfs/dbraw/zinc/79/64/27/721796427.db2.gz CZXZLZPFVQMCAK-HXUWFJFHSA-N 1 2 408.466 0.560 20 0 HCADLO NC(=O)c1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913658 721774673 /nfs/dbraw/zinc/77/46/73/721774673.db2.gz ZTCGLVAOJPYOKU-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913658 721774666 /nfs/dbraw/zinc/77/46/66/721774666.db2.gz ZTCGLVAOJPYOKU-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913659 721774209 /nfs/dbraw/zinc/77/42/09/721774209.db2.gz ZTCGLVAOJPYOKU-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913659 721774207 /nfs/dbraw/zinc/77/42/07/721774207.db2.gz ZTCGLVAOJPYOKU-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO O=C(NC1CC1)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164913698 721797710 /nfs/dbraw/zinc/79/77/10/721797710.db2.gz GDYCBLXHXPJDLH-JOCHJYFZSA-N 1 2 424.505 0.872 20 0 HCADLO O=C(NC1CC1)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164913698 721797709 /nfs/dbraw/zinc/79/77/09/721797709.db2.gz GDYCBLXHXPJDLH-JOCHJYFZSA-N 1 2 424.505 0.872 20 0 HCADLO O=C(NC1CC1)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164913699 721797849 /nfs/dbraw/zinc/79/78/49/721797849.db2.gz GDYCBLXHXPJDLH-QFIPXVFZSA-N 1 2 424.505 0.872 20 0 HCADLO O=C(NC1CC1)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164913699 721797848 /nfs/dbraw/zinc/79/78/48/721797848.db2.gz GDYCBLXHXPJDLH-QFIPXVFZSA-N 1 2 424.505 0.872 20 0 HCADLO NS(=O)(=O)c1cccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913718 721800951 /nfs/dbraw/zinc/80/09/51/721800951.db2.gz GJNHYEFDZQVRLR-IBGZPJMESA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1cccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913718 721800949 /nfs/dbraw/zinc/80/09/49/721800949.db2.gz GJNHYEFDZQVRLR-IBGZPJMESA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1cccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913719 721801087 /nfs/dbraw/zinc/80/10/87/721801087.db2.gz GJNHYEFDZQVRLR-LJQANCHMSA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1cccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913719 721801085 /nfs/dbraw/zinc/80/10/85/721801085.db2.gz GJNHYEFDZQVRLR-LJQANCHMSA-N 1 2 419.507 0.232 20 0 HCADLO CN(C)C(=O)c1cncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913721 721795628 /nfs/dbraw/zinc/79/56/28/721795628.db2.gz GJYIMEDCWHHBMX-NRFANRHFSA-N 1 2 412.494 0.681 20 0 HCADLO CN(C)C(=O)c1cncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913721 721795625 /nfs/dbraw/zinc/79/56/25/721795625.db2.gz GJYIMEDCWHHBMX-NRFANRHFSA-N 1 2 412.494 0.681 20 0 HCADLO CN(C)C(=O)c1cncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913723 721795268 /nfs/dbraw/zinc/79/52/68/721795268.db2.gz GJYIMEDCWHHBMX-OAQYLSRUSA-N 1 2 412.494 0.681 20 0 HCADLO CN(C)C(=O)c1cncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913723 721795267 /nfs/dbraw/zinc/79/52/67/721795267.db2.gz GJYIMEDCWHHBMX-OAQYLSRUSA-N 1 2 412.494 0.681 20 0 HCADLO NC(=O)c1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914066 721786573 /nfs/dbraw/zinc/78/65/73/721786573.db2.gz ATZPKVHXSDMWKL-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914066 721786570 /nfs/dbraw/zinc/78/65/70/721786570.db2.gz ATZPKVHXSDMWKL-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914067 721786901 /nfs/dbraw/zinc/78/69/01/721786901.db2.gz ATZPKVHXSDMWKL-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914067 721786900 /nfs/dbraw/zinc/78/69/00/721786900.db2.gz ATZPKVHXSDMWKL-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1cc(F)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914080 721791114 /nfs/dbraw/zinc/79/11/14/721791114.db2.gz BDCFHWOWECFPEU-FQEVSTJZSA-N 1 2 401.442 0.822 20 0 HCADLO NC(=O)c1cc(F)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914080 721791112 /nfs/dbraw/zinc/79/11/12/721791112.db2.gz BDCFHWOWECFPEU-FQEVSTJZSA-N 1 2 401.442 0.822 20 0 HCADLO NC(=O)c1cc(F)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914081 721790875 /nfs/dbraw/zinc/79/08/75/721790875.db2.gz BDCFHWOWECFPEU-HXUWFJFHSA-N 1 2 401.442 0.822 20 0 HCADLO NC(=O)c1cc(F)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914081 721790873 /nfs/dbraw/zinc/79/08/73/721790873.db2.gz BDCFHWOWECFPEU-HXUWFJFHSA-N 1 2 401.442 0.822 20 0 HCADLO O=C1COc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2N1 ZINC001164914447 721782408 /nfs/dbraw/zinc/78/24/08/721782408.db2.gz DIEGPWIKKYFMTD-NRFANRHFSA-N 1 2 411.462 0.915 20 0 HCADLO O=C1COc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2N1 ZINC001164914447 721782400 /nfs/dbraw/zinc/78/24/00/721782400.db2.gz DIEGPWIKKYFMTD-NRFANRHFSA-N 1 2 411.462 0.915 20 0 HCADLO O=C1COc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2N1 ZINC001164914450 721782326 /nfs/dbraw/zinc/78/23/26/721782326.db2.gz DIEGPWIKKYFMTD-OAQYLSRUSA-N 1 2 411.462 0.915 20 0 HCADLO O=C1COc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2N1 ZINC001164914450 721782323 /nfs/dbraw/zinc/78/23/23/721782323.db2.gz DIEGPWIKKYFMTD-OAQYLSRUSA-N 1 2 411.462 0.915 20 0 HCADLO CN(C)c1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2nc[nH]c21 ZINC001164914908 721786892 /nfs/dbraw/zinc/78/68/92/721786892.db2.gz HMHPTBUGAKRIII-NRFANRHFSA-N 1 2 424.509 0.922 20 0 HCADLO CN(C)c1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2nc[nH]c21 ZINC001164914908 721786889 /nfs/dbraw/zinc/78/68/89/721786889.db2.gz HMHPTBUGAKRIII-NRFANRHFSA-N 1 2 424.509 0.922 20 0 HCADLO CN(C)c1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2nc[nH]c21 ZINC001164914909 721788001 /nfs/dbraw/zinc/78/80/01/721788001.db2.gz HMHPTBUGAKRIII-OAQYLSRUSA-N 1 2 424.509 0.922 20 0 HCADLO CN(C)c1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2nc[nH]c21 ZINC001164914909 721787999 /nfs/dbraw/zinc/78/79/99/721787999.db2.gz HMHPTBUGAKRIII-OAQYLSRUSA-N 1 2 424.509 0.922 20 0 HCADLO NC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164914984 721801587 /nfs/dbraw/zinc/80/15/87/721801587.db2.gz SOXXLXKMGGFIFK-JOCHJYFZSA-N 1 2 424.505 0.956 20 0 HCADLO NC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164914984 721801584 /nfs/dbraw/zinc/80/15/84/721801584.db2.gz SOXXLXKMGGFIFK-JOCHJYFZSA-N 1 2 424.505 0.956 20 0 HCADLO NC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164914985 721801402 /nfs/dbraw/zinc/80/14/02/721801402.db2.gz SOXXLXKMGGFIFK-QFIPXVFZSA-N 1 2 424.505 0.956 20 0 HCADLO NC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164914985 721801401 /nfs/dbraw/zinc/80/14/01/721801401.db2.gz SOXXLXKMGGFIFK-QFIPXVFZSA-N 1 2 424.505 0.956 20 0 HCADLO Cc1nc(-n2cncn2)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915014 721798897 /nfs/dbraw/zinc/79/88/97/721798897.db2.gz TYRSRLIZXVZSNH-NRFANRHFSA-N 1 2 422.493 0.869 20 0 HCADLO Cc1nc(-n2cncn2)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915014 721798894 /nfs/dbraw/zinc/79/88/94/721798894.db2.gz TYRSRLIZXVZSNH-NRFANRHFSA-N 1 2 422.493 0.869 20 0 HCADLO Cc1nc(-n2cncn2)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915015 721799279 /nfs/dbraw/zinc/79/92/79/721799279.db2.gz TYRSRLIZXVZSNH-OAQYLSRUSA-N 1 2 422.493 0.869 20 0 HCADLO Cc1nc(-n2cncn2)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915015 721799276 /nfs/dbraw/zinc/79/92/76/721799276.db2.gz TYRSRLIZXVZSNH-OAQYLSRUSA-N 1 2 422.493 0.869 20 0 HCADLO NS(=O)(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915018 721797783 /nfs/dbraw/zinc/79/77/83/721797783.db2.gz UBEXNKNOZHVRDW-IBGZPJMESA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915018 721797780 /nfs/dbraw/zinc/79/77/80/721797780.db2.gz UBEXNKNOZHVRDW-IBGZPJMESA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915019 721797488 /nfs/dbraw/zinc/79/74/88/721797488.db2.gz UBEXNKNOZHVRDW-LJQANCHMSA-N 1 2 419.507 0.232 20 0 HCADLO NS(=O)(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915019 721797484 /nfs/dbraw/zinc/79/74/84/721797484.db2.gz UBEXNKNOZHVRDW-LJQANCHMSA-N 1 2 419.507 0.232 20 0 HCADLO NC(=O)c1nc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915567 721786762 /nfs/dbraw/zinc/78/67/62/721786762.db2.gz LHLVUFGJCHBZCB-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1nc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915567 721786756 /nfs/dbraw/zinc/78/67/56/721786756.db2.gz LHLVUFGJCHBZCB-IBGZPJMESA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1nc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915569 721786544 /nfs/dbraw/zinc/78/65/44/721786544.db2.gz LHLVUFGJCHBZCB-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO NC(=O)c1nc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915569 721786542 /nfs/dbraw/zinc/78/65/42/721786542.db2.gz LHLVUFGJCHBZCB-LJQANCHMSA-N 1 2 418.885 0.732 20 0 HCADLO COc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1OC ZINC001164916278 721781852 /nfs/dbraw/zinc/78/18/52/721781852.db2.gz PHYZKNJTJLRGKH-FQEVSTJZSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1OC ZINC001164916278 721781850 /nfs/dbraw/zinc/78/18/50/721781850.db2.gz PHYZKNJTJLRGKH-FQEVSTJZSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1OC ZINC001164916282 721781914 /nfs/dbraw/zinc/78/19/14/721781914.db2.gz PHYZKNJTJLRGKH-HXUWFJFHSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1OC ZINC001164916282 721781912 /nfs/dbraw/zinc/78/19/12/721781912.db2.gz PHYZKNJTJLRGKH-HXUWFJFHSA-N 1 2 401.467 0.997 20 0 HCADLO COc1cc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc(S(C)(=O)=O)n1 ZINC001164918427 721815915 /nfs/dbraw/zinc/81/59/15/721815915.db2.gz XIHXPUOTPLWDMQ-UHFFFAOYSA-N 1 2 406.512 0.835 20 0 HCADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCOCC4)[nH+]cn2)CC3)n1 ZINC001164931054 721902961 /nfs/dbraw/zinc/90/29/61/721902961.db2.gz QUAOCLJGQRRBNE-UHFFFAOYSA-N 1 2 413.526 0.918 20 0 HCADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCOCC4)nc[nH+]2)CC3)n1 ZINC001164931054 721902960 /nfs/dbraw/zinc/90/29/60/721902960.db2.gz QUAOCLJGQRRBNE-UHFFFAOYSA-N 1 2 413.526 0.918 20 0 HCADLO Cc1nc(-n2cncn2)cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)[nH+]1 ZINC001164935999 721909356 /nfs/dbraw/zinc/90/93/56/721909356.db2.gz RPUHPGQBNBVBEO-UHFFFAOYSA-N 1 2 409.498 0.971 20 0 HCADLO NS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943652 721969826 /nfs/dbraw/zinc/96/98/26/721969826.db2.gz AVYLXWDYBMYCNY-UHFFFAOYSA-N 1 2 415.519 0.700 20 0 HCADLO NS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943652 721969824 /nfs/dbraw/zinc/96/98/24/721969824.db2.gz AVYLXWDYBMYCNY-UHFFFAOYSA-N 1 2 415.519 0.700 20 0 HCADLO CN1CC(=O)Nc2cnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc21 ZINC001164945051 721975905 /nfs/dbraw/zinc/97/59/05/721975905.db2.gz BDJYKYHGDOUWOD-UHFFFAOYSA-N 1 2 421.505 0.836 20 0 HCADLO CN1CC(=O)Nc2cnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc21 ZINC001164945051 721975903 /nfs/dbraw/zinc/97/59/03/721975903.db2.gz BDJYKYHGDOUWOD-UHFFFAOYSA-N 1 2 421.505 0.836 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164945681 721972516 /nfs/dbraw/zinc/97/25/16/721972516.db2.gz QHUWBDHAWKVAGT-UHFFFAOYSA-N 1 2 415.519 0.700 20 0 HCADLO NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164945681 721972512 /nfs/dbraw/zinc/97/25/12/721972512.db2.gz QHUWBDHAWKVAGT-UHFFFAOYSA-N 1 2 415.519 0.700 20 0 HCADLO NS(=O)(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164948312 721980379 /nfs/dbraw/zinc/98/03/79/721980379.db2.gz KUHNHEFSZRRNLW-UHFFFAOYSA-N 1 2 415.519 0.700 20 0 HCADLO NS(=O)(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164948312 721980376 /nfs/dbraw/zinc/98/03/76/721980376.db2.gz KUHNHEFSZRRNLW-UHFFFAOYSA-N 1 2 415.519 0.700 20 0 HCADLO NS(=O)(=O)c1cccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948842 721981379 /nfs/dbraw/zinc/98/13/79/721981379.db2.gz MELSZUSKPLWBMC-UHFFFAOYSA-N 1 2 415.519 0.700 20 0 HCADLO NS(=O)(=O)c1cccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948842 721981375 /nfs/dbraw/zinc/98/13/75/721981375.db2.gz MELSZUSKPLWBMC-UHFFFAOYSA-N 1 2 415.519 0.700 20 0 HCADLO CC(=O)N1CC(=O)NC[C@@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164970206 722078783 /nfs/dbraw/zinc/07/87/83/722078783.db2.gz OJIAGFAHIKZILF-HSZRJFAPSA-N 1 2 420.517 0.962 20 0 HCADLO CC(=O)N1CC(=O)NC[C@@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164970206 722078782 /nfs/dbraw/zinc/07/87/82/722078782.db2.gz OJIAGFAHIKZILF-HSZRJFAPSA-N 1 2 420.517 0.962 20 0 HCADLO CC(=O)N1CC(=O)NC[C@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164970207 722078818 /nfs/dbraw/zinc/07/88/18/722078818.db2.gz OJIAGFAHIKZILF-QHCPKHFHSA-N 1 2 420.517 0.962 20 0 HCADLO CC(=O)N1CC(=O)NC[C@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164970207 722078817 /nfs/dbraw/zinc/07/88/17/722078817.db2.gz OJIAGFAHIKZILF-QHCPKHFHSA-N 1 2 420.517 0.962 20 0 HCADLO CN1CCN(c2ncnc3c2CCN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)CC1 ZINC001164997716 722229442 /nfs/dbraw/zinc/22/94/42/722229442.db2.gz UDOACTMZODJOST-UHFFFAOYSA-N 1 2 423.569 0.375 20 0 HCADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[NH+](Cc2nc(OC)cc(OC)n2)CC1 ZINC001165031173 721846116 /nfs/dbraw/zinc/84/61/16/721846116.db2.gz WHIJNKRGSQRQEW-UHFFFAOYSA-N 1 2 413.438 0.826 20 0 HCADLO COc1cc(OC)nc(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC001165031270 721845921 /nfs/dbraw/zinc/84/59/21/721845921.db2.gz ZTIXJJFFANNYQN-UHFFFAOYSA-N 1 2 401.471 0.443 20 0 HCADLO O=S(=O)(NCc1c[nH]nn1)c1cc(NCC2([NH+]3CCCC3)COC2)ccc1F ZINC001168449864 1077330544 /nfs/dbraw/zinc/33/05/44/1077330544.db2.gz ABJYQGIGEZRMBF-UHFFFAOYSA-N 1 2 410.475 0.699 20 0 HCADLO O=S(=O)(NCc1cn[nH]n1)c1cc(NCC2([NH+]3CCCC3)COC2)ccc1F ZINC001168449864 1077330540 /nfs/dbraw/zinc/33/05/40/1077330540.db2.gz ABJYQGIGEZRMBF-UHFFFAOYSA-N 1 2 410.475 0.699 20 0 HCADLO CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001168494463 1077900578 /nfs/dbraw/zinc/90/05/78/1077900578.db2.gz RNRVDWSGXLUQRQ-INMHGKMJSA-N 1 2 406.483 0.782 20 0 HCADLO CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001168494860 1077906631 /nfs/dbraw/zinc/90/66/31/1077906631.db2.gz RNRVDWSGXLUQRQ-UXLLHSPISA-N 1 2 406.483 0.782 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)[C@H](CO)C1 ZINC001168536827 1079390269 /nfs/dbraw/zinc/39/02/69/1079390269.db2.gz CVCOUNWBIWJSGI-HNNXBMFYSA-N 1 2 409.533 0.975 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)[C@H](CO)C1 ZINC001168536827 1079390261 /nfs/dbraw/zinc/39/02/61/1079390261.db2.gz CVCOUNWBIWJSGI-HNNXBMFYSA-N 1 2 409.533 0.975 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)[C@@H](CO)C1 ZINC001168536829 1079390491 /nfs/dbraw/zinc/39/04/91/1079390491.db2.gz CVCOUNWBIWJSGI-OAHLLOKOSA-N 1 2 409.533 0.975 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)[C@@H](CO)C1 ZINC001168536829 1079390482 /nfs/dbraw/zinc/39/04/82/1079390482.db2.gz CVCOUNWBIWJSGI-OAHLLOKOSA-N 1 2 409.533 0.975 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)[C@H](CO)C1 ZINC001168538738 1079410460 /nfs/dbraw/zinc/41/04/60/1079410460.db2.gz UORQWXMXQPKXDF-INIZCTEOSA-N 1 2 414.487 0.996 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)[C@H](CO)C1 ZINC001168538738 1079410454 /nfs/dbraw/zinc/41/04/54/1079410454.db2.gz UORQWXMXQPKXDF-INIZCTEOSA-N 1 2 414.487 0.996 20 0 HCADLO C[N@H+]1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)[C@@H](CO)C1 ZINC001168538740 1079411210 /nfs/dbraw/zinc/41/12/10/1079411210.db2.gz UORQWXMXQPKXDF-MRXNPFEDSA-N 1 2 414.487 0.996 20 0 HCADLO C[N@@H+]1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)[C@@H](CO)C1 ZINC001168538740 1079411201 /nfs/dbraw/zinc/41/12/01/1079411201.db2.gz UORQWXMXQPKXDF-MRXNPFEDSA-N 1 2 414.487 0.996 20 0 HCADLO O=C(C1=NN(c2ccc(F)cc2)C(=O)CC1=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001168662809 1080383843 /nfs/dbraw/zinc/38/38/43/1080383843.db2.gz AEXWPDZDLIQTQC-UHFFFAOYSA-N 1 2 402.426 0.811 20 0 HCADLO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC001212192481 1074280437 /nfs/dbraw/zinc/28/04/37/1074280437.db2.gz APLYGESEVZJHFP-CYBMUJFWSA-N 1 2 417.915 0.733 20 0 HCADLO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC001212192481 1074280430 /nfs/dbraw/zinc/28/04/30/1074280430.db2.gz APLYGESEVZJHFP-CYBMUJFWSA-N 1 2 417.915 0.733 20 0 HCADLO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC001212192482 1074280541 /nfs/dbraw/zinc/28/05/41/1074280541.db2.gz APLYGESEVZJHFP-ZDUSSCGKSA-N 1 2 417.915 0.733 20 0 HCADLO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC001212192482 1074280537 /nfs/dbraw/zinc/28/05/37/1074280537.db2.gz APLYGESEVZJHFP-ZDUSSCGKSA-N 1 2 417.915 0.733 20 0 HCADLO CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc1 ZINC001212193068 1074329441 /nfs/dbraw/zinc/32/94/41/1074329441.db2.gz IRTLKNXARYYQJP-INIZCTEOSA-N 1 2 411.524 0.894 20 0 HCADLO CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc1 ZINC001212193068 1074329433 /nfs/dbraw/zinc/32/94/33/1074329433.db2.gz IRTLKNXARYYQJP-INIZCTEOSA-N 1 2 411.524 0.894 20 0 HCADLO CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cc1 ZINC001212193074 1074329283 /nfs/dbraw/zinc/32/92/83/1074329283.db2.gz IRTLKNXARYYQJP-MRXNPFEDSA-N 1 2 411.524 0.894 20 0 HCADLO CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cc1 ZINC001212193074 1074329275 /nfs/dbraw/zinc/32/92/75/1074329275.db2.gz IRTLKNXARYYQJP-MRXNPFEDSA-N 1 2 411.524 0.894 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c(OC)cc1F ZINC001212193639 1074377164 /nfs/dbraw/zinc/37/71/64/1074377164.db2.gz NCZHKPJRYZTXGX-LLVKDONJSA-N 1 2 418.443 0.346 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c(OC)cc1F ZINC001212193639 1074377156 /nfs/dbraw/zinc/37/71/56/1074377156.db2.gz NCZHKPJRYZTXGX-LLVKDONJSA-N 1 2 418.443 0.346 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c(OC)cc1F ZINC001212193640 1074377103 /nfs/dbraw/zinc/37/71/03/1074377103.db2.gz NCZHKPJRYZTXGX-NSHDSACASA-N 1 2 418.443 0.346 20 0 HCADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c(OC)cc1F ZINC001212193640 1074377093 /nfs/dbraw/zinc/37/70/93/1074377093.db2.gz NCZHKPJRYZTXGX-NSHDSACASA-N 1 2 418.443 0.346 20 0 HCADLO COC(=O)c1cc(C)c(F)c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC001212193835 1074379884 /nfs/dbraw/zinc/37/98/84/1074379884.db2.gz PJZFVRILNUKDGD-CYBMUJFWSA-N 1 2 402.444 0.646 20 0 HCADLO COC(=O)c1cc(C)c(F)c(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC001212193835 1074379879 /nfs/dbraw/zinc/37/98/79/1074379879.db2.gz PJZFVRILNUKDGD-CYBMUJFWSA-N 1 2 402.444 0.646 20 0 HCADLO COC(=O)c1cc(C)c(F)c(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC001212193836 1074379832 /nfs/dbraw/zinc/37/98/32/1074379832.db2.gz PJZFVRILNUKDGD-ZDUSSCGKSA-N 1 2 402.444 0.646 20 0 HCADLO COC(=O)c1cc(C)c(F)c(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC001212193836 1074379830 /nfs/dbraw/zinc/37/98/30/1074379830.db2.gz PJZFVRILNUKDGD-ZDUSSCGKSA-N 1 2 402.444 0.646 20 0 HCADLO CCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@@H+](C)C[C@H](C(=O)OC)C3)cc21 ZINC001212193892 1074379794 /nfs/dbraw/zinc/37/97/94/1074379794.db2.gz QHHRYFXDYHPPJZ-HNNXBMFYSA-N 1 2 409.508 0.711 20 0 HCADLO CCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@H+](C)C[C@H](C(=O)OC)C3)cc21 ZINC001212193892 1074379784 /nfs/dbraw/zinc/37/97/84/1074379784.db2.gz QHHRYFXDYHPPJZ-HNNXBMFYSA-N 1 2 409.508 0.711 20 0 HCADLO CCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@@H+](C)C[C@@H](C(=O)OC)C3)cc21 ZINC001212193894 1074379868 /nfs/dbraw/zinc/37/98/68/1074379868.db2.gz QHHRYFXDYHPPJZ-OAHLLOKOSA-N 1 2 409.508 0.711 20 0 HCADLO CCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@H+](C)C[C@@H](C(=O)OC)C3)cc21 ZINC001212193894 1074379863 /nfs/dbraw/zinc/37/98/63/1074379863.db2.gz QHHRYFXDYHPPJZ-OAHLLOKOSA-N 1 2 409.508 0.711 20 0 HCADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)CC[N@@H+](C)C1 ZINC001212194361 1074379763 /nfs/dbraw/zinc/37/97/63/1074379763.db2.gz UJLBRILFSPFGGR-CYBMUJFWSA-N 1 2 413.496 0.122 20 0 HCADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)CC[N@H+](C)C1 ZINC001212194361 1074379757 /nfs/dbraw/zinc/37/97/57/1074379757.db2.gz UJLBRILFSPFGGR-CYBMUJFWSA-N 1 2 413.496 0.122 20 0 HCADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)CC[N@@H+](C)C1 ZINC001212194365 1074380070 /nfs/dbraw/zinc/38/00/70/1074380070.db2.gz UJLBRILFSPFGGR-ZDUSSCGKSA-N 1 2 413.496 0.122 20 0 HCADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)CC[N@H+](C)C1 ZINC001212194365 1074380054 /nfs/dbraw/zinc/38/00/54/1074380054.db2.gz UJLBRILFSPFGGR-ZDUSSCGKSA-N 1 2 413.496 0.122 20 0 HCADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC[N@@H+](C)C1 ZINC001212194737 1074448450 /nfs/dbraw/zinc/44/84/50/1074448450.db2.gz XIEDVWHBRJEHDM-HNNXBMFYSA-N 1 2 407.492 0.247 20 0 HCADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC[N@H+](C)C1 ZINC001212194737 1074448436 /nfs/dbraw/zinc/44/84/36/1074448436.db2.gz XIEDVWHBRJEHDM-HNNXBMFYSA-N 1 2 407.492 0.247 20 0 HCADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC[N@@H+](C)C1 ZINC001212194738 1074448138 /nfs/dbraw/zinc/44/81/38/1074448138.db2.gz XIEDVWHBRJEHDM-OAHLLOKOSA-N 1 2 407.492 0.247 20 0 HCADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC[N@H+](C)C1 ZINC001212194738 1074448131 /nfs/dbraw/zinc/44/81/31/1074448131.db2.gz XIEDVWHBRJEHDM-OAHLLOKOSA-N 1 2 407.492 0.247 20 0 HCADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC001212222376 1078208979 /nfs/dbraw/zinc/20/89/79/1078208979.db2.gz FMNUJDKBTDELBX-GHMZBOCLSA-N 1 2 420.329 0.624 20 0 HCADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC001212222376 1078208963 /nfs/dbraw/zinc/20/89/63/1078208963.db2.gz FMNUJDKBTDELBX-GHMZBOCLSA-N 1 2 420.329 0.624 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)[C@@H](C)C[N@H+]1CCO ZINC001212222378 1078208675 /nfs/dbraw/zinc/20/86/75/1078208675.db2.gz FMNUJDKBTDELBX-MNOVXSKESA-N 1 2 420.329 0.624 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)[C@@H](C)C[N@@H+]1CCO ZINC001212222378 1078208653 /nfs/dbraw/zinc/20/86/53/1078208653.db2.gz FMNUJDKBTDELBX-MNOVXSKESA-N 1 2 420.329 0.624 20 0 HCADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC001212222381 1078209109 /nfs/dbraw/zinc/20/91/09/1078209109.db2.gz FMNUJDKBTDELBX-QWRGUYRKSA-N 1 2 420.329 0.624 20 0 HCADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC001212222381 1078209091 /nfs/dbraw/zinc/20/90/91/1078209091.db2.gz FMNUJDKBTDELBX-QWRGUYRKSA-N 1 2 420.329 0.624 20 0 HCADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC001212222382 1078208833 /nfs/dbraw/zinc/20/88/33/1078208833.db2.gz FMNUJDKBTDELBX-WDEREUQCSA-N 1 2 420.329 0.624 20 0 HCADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC001212222382 1078208815 /nfs/dbraw/zinc/20/88/15/1078208815.db2.gz FMNUJDKBTDELBX-WDEREUQCSA-N 1 2 420.329 0.624 20 0 HCADLO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001212222394 1078209248 /nfs/dbraw/zinc/20/92/48/1078209248.db2.gz FXOVVNOPARHXBG-KBPBESRZSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC001212222394 1078209244 /nfs/dbraw/zinc/20/92/44/1078209244.db2.gz FXOVVNOPARHXBG-KBPBESRZSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001212222395 1078208932 /nfs/dbraw/zinc/20/89/32/1078208932.db2.gz FXOVVNOPARHXBG-KGLIPLIRSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC001212222395 1078208918 /nfs/dbraw/zinc/20/89/18/1078208918.db2.gz FXOVVNOPARHXBG-KGLIPLIRSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC001212222396 1078208610 /nfs/dbraw/zinc/20/86/10/1078208610.db2.gz FXOVVNOPARHXBG-UONOGXRCSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC001212222396 1078208583 /nfs/dbraw/zinc/20/85/83/1078208583.db2.gz FXOVVNOPARHXBG-UONOGXRCSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC001212222398 1078209054 /nfs/dbraw/zinc/20/90/54/1078209054.db2.gz FXOVVNOPARHXBG-ZIAGYGMSSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC001212222398 1078209034 /nfs/dbraw/zinc/20/90/34/1078209034.db2.gz FXOVVNOPARHXBG-ZIAGYGMSSA-N 1 2 400.497 0.695 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)[C@@H](C)C[N@H+]1CCO ZINC001212222846 1078213353 /nfs/dbraw/zinc/21/33/53/1078213353.db2.gz KUVQHHGZPRUNAB-CABCVRRESA-N 1 2 407.536 0.988 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)[C@@H](C)C[N@@H+]1CCO ZINC001212222846 1078213344 /nfs/dbraw/zinc/21/33/44/1078213344.db2.gz KUVQHHGZPRUNAB-CABCVRRESA-N 1 2 407.536 0.988 20 0 HCADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC001212222847 1078213605 /nfs/dbraw/zinc/21/36/05/1078213605.db2.gz KUVQHHGZPRUNAB-GJZGRUSLSA-N 1 2 407.536 0.988 20 0 HCADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC001212222847 1078213591 /nfs/dbraw/zinc/21/35/91/1078213591.db2.gz KUVQHHGZPRUNAB-GJZGRUSLSA-N 1 2 407.536 0.988 20 0 HCADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC001212222848 1078213997 /nfs/dbraw/zinc/21/39/97/1078213997.db2.gz KUVQHHGZPRUNAB-HUUCEWRRSA-N 1 2 407.536 0.988 20 0 HCADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC001212222848 1078213990 /nfs/dbraw/zinc/21/39/90/1078213990.db2.gz KUVQHHGZPRUNAB-HUUCEWRRSA-N 1 2 407.536 0.988 20 0 HCADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC001212222849 1078213708 /nfs/dbraw/zinc/21/37/08/1078213708.db2.gz KUVQHHGZPRUNAB-LSDHHAIUSA-N 1 2 407.536 0.988 20 0 HCADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC001212222849 1078213694 /nfs/dbraw/zinc/21/36/94/1078213694.db2.gz KUVQHHGZPRUNAB-LSDHHAIUSA-N 1 2 407.536 0.988 20 0 HCADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001212223427 1078214909 /nfs/dbraw/zinc/21/49/09/1078214909.db2.gz QLAOHZROVRGMKW-KBPBESRZSA-N 1 2 405.542 0.013 20 0 HCADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001212223427 1078214894 /nfs/dbraw/zinc/21/48/94/1078214894.db2.gz QLAOHZROVRGMKW-KBPBESRZSA-N 1 2 405.542 0.013 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C[N@H+]1CCO ZINC001212223428 1078215422 /nfs/dbraw/zinc/21/54/22/1078215422.db2.gz QLAOHZROVRGMKW-KGLIPLIRSA-N 1 2 405.542 0.013 20 0 HCADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C[N@@H+]1CCO ZINC001212223428 1078215414 /nfs/dbraw/zinc/21/54/14/1078215414.db2.gz QLAOHZROVRGMKW-KGLIPLIRSA-N 1 2 405.542 0.013 20 0 HCADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001212223429 1078215289 /nfs/dbraw/zinc/21/52/89/1078215289.db2.gz QLAOHZROVRGMKW-UONOGXRCSA-N 1 2 405.542 0.013 20 0 HCADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001212223429 1078215266 /nfs/dbraw/zinc/21/52/66/1078215266.db2.gz QLAOHZROVRGMKW-UONOGXRCSA-N 1 2 405.542 0.013 20 0 HCADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001212223430 1078215206 /nfs/dbraw/zinc/21/52/06/1078215206.db2.gz QLAOHZROVRGMKW-ZIAGYGMSSA-N 1 2 405.542 0.013 20 0 HCADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001212223430 1078215187 /nfs/dbraw/zinc/21/51/87/1078215187.db2.gz QLAOHZROVRGMKW-ZIAGYGMSSA-N 1 2 405.542 0.013 20 0 HCADLO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC001212224195 1078221029 /nfs/dbraw/zinc/22/10/29/1078221029.db2.gz ZQYQAHOEYBCFHA-KBPBESRZSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC001212224195 1078221012 /nfs/dbraw/zinc/22/10/12/1078221012.db2.gz ZQYQAHOEYBCFHA-KBPBESRZSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC001212224196 1078220857 /nfs/dbraw/zinc/22/08/57/1078220857.db2.gz ZQYQAHOEYBCFHA-KGLIPLIRSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC001212224196 1078220845 /nfs/dbraw/zinc/22/08/45/1078220845.db2.gz ZQYQAHOEYBCFHA-KGLIPLIRSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC001212224197 1078221356 /nfs/dbraw/zinc/22/13/56/1078221356.db2.gz ZQYQAHOEYBCFHA-UONOGXRCSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC001212224197 1078221341 /nfs/dbraw/zinc/22/13/41/1078221341.db2.gz ZQYQAHOEYBCFHA-UONOGXRCSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC001212224198 1078221169 /nfs/dbraw/zinc/22/11/69/1078221169.db2.gz ZQYQAHOEYBCFHA-ZIAGYGMSSA-N 1 2 400.497 0.695 20 0 HCADLO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC001212224198 1078221155 /nfs/dbraw/zinc/22/11/55/1078221155.db2.gz ZQYQAHOEYBCFHA-ZIAGYGMSSA-N 1 2 400.497 0.695 20 0 HCADLO Cn1cc([C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001212261926 1078509260 /nfs/dbraw/zinc/50/92/60/1078509260.db2.gz UUZCKTKTMRGSNX-JKSUJKDBSA-N 1 2 424.527 0.939 20 0 HCADLO COC(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC001212308632 1078816092 /nfs/dbraw/zinc/81/60/92/1078816092.db2.gz CPQCFVKXAHMFHV-INIZCTEOSA-N 1 2 410.496 0.838 20 0 HCADLO COC(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC001212308633 1078816008 /nfs/dbraw/zinc/81/60/08/1078816008.db2.gz CPQCFVKXAHMFHV-MRXNPFEDSA-N 1 2 410.496 0.838 20 0 HCADLO CC(=O)Nc1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)ccc1F ZINC001212308788 1078817869 /nfs/dbraw/zinc/81/78/69/1078817869.db2.gz FYESWOOUJJBWMX-KRWDZBQOSA-N 1 2 412.487 0.758 20 0 HCADLO CC(=O)Nc1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)ccc1F ZINC001212308789 1078817998 /nfs/dbraw/zinc/81/79/98/1078817998.db2.gz FYESWOOUJJBWMX-QGZVFWFLSA-N 1 2 412.487 0.758 20 0 HCADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc(C4(C)OCCO4)cc3)CC2)C1=O ZINC001212309012 1078818017 /nfs/dbraw/zinc/81/80/17/1078818017.db2.gz KIIQGGSUDQZHPL-GOSISDBHSA-N 1 2 423.535 0.880 20 0 HCADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3ccc(C4(C)OCCO4)cc3)CC2)C1=O ZINC001212309013 1078817938 /nfs/dbraw/zinc/81/79/38/1078817938.db2.gz KIIQGGSUDQZHPL-SFHVURJKSA-N 1 2 423.535 0.880 20 0 HCADLO Cc1nn(C)c2ncc(S(=O)(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)cc12 ZINC001212309315 1078817960 /nfs/dbraw/zinc/81/79/60/1078817960.db2.gz NWGLOZNXVWIKMM-INIZCTEOSA-N 1 2 406.512 0.250 20 0 HCADLO Cc1nn(C)c2ncc(S(=O)(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)cc12 ZINC001212309316 1078818009 /nfs/dbraw/zinc/81/80/09/1078818009.db2.gz NWGLOZNXVWIKMM-MRXNPFEDSA-N 1 2 406.512 0.250 20 0 HCADLO COc1c(F)cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1F ZINC001212309368 1078818327 /nfs/dbraw/zinc/81/83/27/1078818327.db2.gz PKWPRWRQVGMPIH-HNNXBMFYSA-N 1 2 403.451 0.947 20 0 HCADLO COc1c(F)cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1F ZINC001212309378 1078818295 /nfs/dbraw/zinc/81/82/95/1078818295.db2.gz PKWPRWRQVGMPIH-OAHLLOKOSA-N 1 2 403.451 0.947 20 0 HCADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)C1=O ZINC001212309534 1078818239 /nfs/dbraw/zinc/81/82/39/1078818239.db2.gz SQBIGLZJIWDBFV-HNNXBMFYSA-N 1 2 424.548 0.573 20 0 HCADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)C1=O ZINC001212309535 1078818352 /nfs/dbraw/zinc/81/83/52/1078818352.db2.gz SQBIGLZJIWDBFV-OAHLLOKOSA-N 1 2 424.548 0.573 20 0 HCADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ncccc3Br)CC2)C1=O ZINC001212309720 1078818203 /nfs/dbraw/zinc/81/82/03/1078818203.db2.gz VSPPZIIXECOQMH-CYBMUJFWSA-N 1 2 417.329 0.818 20 0 HCADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3ncccc3Br)CC2)C1=O ZINC001212309721 1078818311 /nfs/dbraw/zinc/81/83/11/1078818311.db2.gz VSPPZIIXECOQMH-ZDUSSCGKSA-N 1 2 417.329 0.818 20 0 HCADLO O=C(N1CCC[C@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1)C(F)(F)F ZINC001212321778 1078823975 /nfs/dbraw/zinc/82/39/75/1078823975.db2.gz HDUQEOPBUNWILY-CYBMUJFWSA-N 1 2 401.451 0.429 20 0 HCADLO O=C(N1CCC[C@@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1)C(F)(F)F ZINC001212321779 1078823907 /nfs/dbraw/zinc/82/39/07/1078823907.db2.gz HDUQEOPBUNWILY-ZDUSSCGKSA-N 1 2 401.451 0.429 20 0 HCADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cnnn2-c2ccccc2)CC1 ZINC001212343190 1078851584 /nfs/dbraw/zinc/85/15/84/1078851584.db2.gz AQEKOEOSLGWWHX-UHFFFAOYSA-N 1 2 420.539 0.878 20 0 HCADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001212343632 1078852359 /nfs/dbraw/zinc/85/23/59/1078852359.db2.gz IPUFIVLPSWFVFK-UHFFFAOYSA-N 1 2 424.567 0.798 20 0 HCADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC001212343733 1078852291 /nfs/dbraw/zinc/85/22/91/1078852291.db2.gz IVGCZBFFRMMCJU-UHFFFAOYSA-N 1 2 407.487 0.759 20 0 HCADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cncc(C(=O)OC)c2)CC1 ZINC001212344490 1078853939 /nfs/dbraw/zinc/85/39/39/1078853939.db2.gz YJMIFIHWRBTGMB-UHFFFAOYSA-N 1 2 412.512 0.479 20 0 HCADLO COC(=O)[C@@H](O)CCn1cnc2c1ncnc2Nc1ccc[nH+]c1N1CCOCC1 ZINC001212354265 1079789324 /nfs/dbraw/zinc/78/93/24/1079789324.db2.gz LCCYTUCTUVSRDU-AWEZNQCLSA-N 1 2 413.438 0.726 20 0 HCADLO COC(=O)[C@H](O)CCn1cnc2c1ncnc2Nc1ccc[nH+]c1N1CCOCC1 ZINC001212354266 1079789439 /nfs/dbraw/zinc/78/94/39/1079789439.db2.gz LCCYTUCTUVSRDU-CQSZACIVSA-N 1 2 413.438 0.726 20 0 HCADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCOC)CC1(C)C ZINC001212359623 1079819508 /nfs/dbraw/zinc/81/95/08/1079819508.db2.gz HARRYHVOKPMENQ-UHFFFAOYSA-N 1 2 405.542 0.326 20 0 HCADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC001212359623 1079819504 /nfs/dbraw/zinc/81/95/04/1079819504.db2.gz HARRYHVOKPMENQ-UHFFFAOYSA-N 1 2 405.542 0.326 20 0 HCADLO O=S(=O)(c1cccc(I)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001212392408 1080053401 /nfs/dbraw/zinc/05/34/01/1080053401.db2.gz JRNBFBXRHILVHH-GFCCVEGCSA-N 1 2 408.261 0.731 20 0 HCADLO O=S(=O)(c1cccc(I)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001212392408 1080053394 /nfs/dbraw/zinc/05/33/94/1080053394.db2.gz JRNBFBXRHILVHH-GFCCVEGCSA-N 1 2 408.261 0.731 20 0 HCADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC001212450650 1080591688 /nfs/dbraw/zinc/59/16/88/1080591688.db2.gz WOUPWGNMESUWPM-AWEZNQCLSA-N 1 2 414.549 0.989 20 0 HCADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC001212450650 1080591678 /nfs/dbraw/zinc/59/16/78/1080591678.db2.gz WOUPWGNMESUWPM-AWEZNQCLSA-N 1 2 414.549 0.989 20 0 HCADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC001212450651 1080591853 /nfs/dbraw/zinc/59/18/53/1080591853.db2.gz WOUPWGNMESUWPM-CQSZACIVSA-N 1 2 414.549 0.989 20 0 HCADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC001212450651 1080591846 /nfs/dbraw/zinc/59/18/46/1080591846.db2.gz WOUPWGNMESUWPM-CQSZACIVSA-N 1 2 414.549 0.989 20 0 HCADLO CC(C)C[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001212453785 1080598193 /nfs/dbraw/zinc/59/81/93/1080598193.db2.gz OHCFPOWGIZALRG-CABCVRRESA-N 1 2 408.590 0.660 20 0 HCADLO CC(C)C[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001212453786 1080598283 /nfs/dbraw/zinc/59/82/83/1080598283.db2.gz OHCFPOWGIZALRG-GJZGRUSLSA-N 1 2 408.590 0.660 20 0 HCADLO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1Cl ZINC001212496852 1080871929 /nfs/dbraw/zinc/87/19/29/1080871929.db2.gz GQRFUGPYXPUWDN-GFCCVEGCSA-N 1 2 410.945 0.869 20 0 HCADLO CNC(=O)CCN(C)c1nnc([C@H]2CCCOC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001299218071 1077574812 /nfs/dbraw/zinc/57/48/12/1077574812.db2.gz NSKBAYUKBNNXGV-INIZCTEOSA-N 1 2 406.531 0.609 20 0 HCADLO CNC(=O)CCN(C)c1nnc([C@@H]2CCCOC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001299218073 1077574903 /nfs/dbraw/zinc/57/49/03/1077574903.db2.gz NSKBAYUKBNNXGV-MRXNPFEDSA-N 1 2 406.531 0.609 20 0 HCADLO CNC(=O)CCN(C)c1nnc(CC2CCCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001299224609 1078424131 /nfs/dbraw/zinc/42/41/31/1078424131.db2.gz NXWKNMCJMCSZTD-UHFFFAOYSA-N 1 2 419.574 0.747 20 0 HCADLO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001299226296 1078786207 /nfs/dbraw/zinc/78/62/07/1078786207.db2.gz FZGRBFUUQVPPMV-UHFFFAOYSA-N 1 2 412.498 0.372 20 0 HCADLO CNC(=O)CCn1c(C(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001299230251 1079236765 /nfs/dbraw/zinc/23/67/65/1079236765.db2.gz BGNTVDBYRPAXIR-UHFFFAOYSA-N 1 2 412.502 0.541 20 0 HCADLO CN(C)C(=O)N[C@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001299239353 1079242480 /nfs/dbraw/zinc/24/24/80/1079242480.db2.gz BLDOUGUKXQDBKC-KRWDZBQOSA-N 1 2 416.526 0.773 20 0 HCADLO CN(C)C(=O)N[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001299239354 1079242446 /nfs/dbraw/zinc/24/24/46/1079242446.db2.gz BLDOUGUKXQDBKC-QGZVFWFLSA-N 1 2 416.526 0.773 20 0 HCADLO CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001299242269 1079246539 /nfs/dbraw/zinc/24/65/39/1079246539.db2.gz HMNYYTBGGIBNBB-UHFFFAOYSA-N 1 2 413.486 0.433 20 0 HCADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1 ZINC001299253853 1079258842 /nfs/dbraw/zinc/25/88/42/1079258842.db2.gz ANZVVERCCGBOEW-UHFFFAOYSA-N 1 2 402.517 0.122 20 0 HCADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1 ZINC001299255471 1079260733 /nfs/dbraw/zinc/26/07/33/1079260733.db2.gz ZCHVVJRMNIGASJ-UHFFFAOYSA-N 1 2 413.540 0.482 20 0 HCADLO CNC(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001299261079 1079267316 /nfs/dbraw/zinc/26/73/16/1079267316.db2.gz TWAHBEIGRKAULE-UHFFFAOYSA-N 1 2 407.544 0.538 20 0 HCADLO CC(C)OCCOC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001299268002 1079894332 /nfs/dbraw/zinc/89/43/32/1079894332.db2.gz WPYGPZTXZABZKX-GOSISDBHSA-N 1 2 411.543 0.600 20 0 HCADLO CC(C)OCCOC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001299268003 1079894234 /nfs/dbraw/zinc/89/42/34/1079894234.db2.gz WPYGPZTXZABZKX-SFHVURJKSA-N 1 2 411.543 0.600 20 0 HCADLO CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c[nH+]ccc2OC)CC1 ZINC001299268695 1080117757 /nfs/dbraw/zinc/11/77/57/1080117757.db2.gz BWZUYENVLJRAIF-UHFFFAOYSA-N 1 2 416.486 0.330 20 0 HCADLO CNC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001299270126 1080341006 /nfs/dbraw/zinc/34/10/06/1080341006.db2.gz UPRKEUIDQLMYGY-UHFFFAOYSA-N 1 2 405.547 0.902 20 0 HCADLO CNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001299276335 1081357422 /nfs/dbraw/zinc/35/74/22/1081357422.db2.gz FIMSUZNDNIHZFZ-AWEZNQCLSA-N 1 2 414.470 0.143 20 0 HCADLO CNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001299276336 1081357359 /nfs/dbraw/zinc/35/73/59/1081357359.db2.gz FIMSUZNDNIHZFZ-CQSZACIVSA-N 1 2 414.470 0.143 20 0 HCADLO O=C(NCC1(O)C[NH+](C[C@@H](O)COCc2ccccc2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001484286177 1078757777 /nfs/dbraw/zinc/75/77/77/1078757777.db2.gz OPHVIUZRIPMPTB-NADOGSGZSA-N 1 2 402.491 0.150 20 0 HCADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@](CO)([NH2+]Cc2noc3c2COCC3)C1 ZINC001484842662 1078847749 /nfs/dbraw/zinc/84/77/49/1078847749.db2.gz ASRKFMRTFAIXBP-AHEXSFJISA-N 1 2 403.479 0.614 20 0 HCADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@](CO)([NH2+]Cc2noc3c2COCC3)C1 ZINC001484842663 1078847828 /nfs/dbraw/zinc/84/78/28/1078847828.db2.gz ASRKFMRTFAIXBP-XPAYBBARSA-N 1 2 403.479 0.614 20 0 HCADLO CC(C)(C)c1nnc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[nH]1 ZINC001484842908 1078848176 /nfs/dbraw/zinc/84/81/76/1078848176.db2.gz DQPLZRKUXQZFRF-MHLKGUIESA-N 1 2 403.527 0.969 20 0 HCADLO CC(C)(C)c1nnc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[nH]1 ZINC001484842909 1078848603 /nfs/dbraw/zinc/84/86/03/1078848603.db2.gz DQPLZRKUXQZFRF-OXOVGODVSA-N 1 2 403.527 0.969 20 0 HCADLO CC(C)(C)n1ncnc1C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001484843032 1078848619 /nfs/dbraw/zinc/84/86/19/1078848619.db2.gz FHNSHPSVXPMZDT-CNPFRCHTSA-N 1 2 403.527 0.900 20 0 HCADLO CC(C)(C)n1ncnc1C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001484843038 1078848611 /nfs/dbraw/zinc/84/86/11/1078848611.db2.gz FHNSHPSVXPMZDT-YIISYXSVSA-N 1 2 403.527 0.900 20 0 HCADLO C[N@@H+](CCOCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Cc1cc(=O)n2[nH]ccc2n1 ZINC001485774114 1078881953 /nfs/dbraw/zinc/88/19/53/1078881953.db2.gz GBVWVHDHESHBHB-LCEIHVTHSA-N 1 2 401.467 0.011 20 0 HCADLO C[N@H+](CCOCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Cc1cc(=O)n2[nH]ccc2n1 ZINC001485774114 1078881951 /nfs/dbraw/zinc/88/19/51/1078881951.db2.gz GBVWVHDHESHBHB-LCEIHVTHSA-N 1 2 401.467 0.011 20 0 HCADLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001486511549 1080548379 /nfs/dbraw/zinc/54/83/79/1080548379.db2.gz UEVLJSBDYSDOJO-OCABDXPQSA-N 1 2 404.511 0.782 20 0 HCADLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001486511549 1080548374 /nfs/dbraw/zinc/54/83/74/1080548374.db2.gz UEVLJSBDYSDOJO-OCABDXPQSA-N 1 2 404.511 0.782 20 0 HCADLO CN1CCn2ncc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)c2S1(=O)=O ZINC001626013631 1077567540 /nfs/dbraw/zinc/56/75/40/1077567540.db2.gz WVTYMEAIBJNZHU-UHFFFAOYSA-N 1 2 404.496 0.833 20 0 HCADLO COCCNC(=O)C1(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC001626040983 1079600583 /nfs/dbraw/zinc/60/05/83/1079600583.db2.gz QIUWOROFLNFIFT-INIZCTEOSA-N 1 2 405.499 0.429 20 0 HCADLO COCCNC(=O)C1(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC001626040983 1079600577 /nfs/dbraw/zinc/60/05/77/1079600577.db2.gz QIUWOROFLNFIFT-INIZCTEOSA-N 1 2 405.499 0.429 20 0 HCADLO Cn1c[nH+]c(CCNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)c1 ZINC001626052905 1079775591 /nfs/dbraw/zinc/77/55/91/1079775591.db2.gz XXUAQTCDGHQEAA-UHFFFAOYSA-N 1 2 412.537 0.847 20 0 HCADLO O=C(NCCS(=O)(=O)N1CCOCC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001626080903 1081307099 /nfs/dbraw/zinc/30/70/99/1081307099.db2.gz BEFZIHQRIBEGAE-UHFFFAOYSA-N 1 2 407.496 0.387 20 0 HCADLO CC[C@H](C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001626234608 1079533514 /nfs/dbraw/zinc/53/35/14/1079533514.db2.gz DCIKNVQRBZCACC-FGTMMUONSA-N 1 2 418.604 0.947 20 0 HCADLO CC[C@H](C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001626234608 1079533503 /nfs/dbraw/zinc/53/35/03/1079533503.db2.gz DCIKNVQRBZCACC-FGTMMUONSA-N 1 2 418.604 0.947 20 0 HCADLO CC[C@@H](C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001626234609 1079534288 /nfs/dbraw/zinc/53/42/88/1079534288.db2.gz DCIKNVQRBZCACC-KURKYZTESA-N 1 2 418.604 0.947 20 0 HCADLO CC[C@@H](C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001626234609 1079534270 /nfs/dbraw/zinc/53/42/70/1079534270.db2.gz DCIKNVQRBZCACC-KURKYZTESA-N 1 2 418.604 0.947 20 0 HCADLO CC[C@H](C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001626234610 1079530610 /nfs/dbraw/zinc/53/06/10/1079530610.db2.gz DCIKNVQRBZCACC-KZNAEPCWSA-N 1 2 418.604 0.947 20 0 HCADLO CC[C@H](C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001626234610 1079530596 /nfs/dbraw/zinc/53/05/96/1079530596.db2.gz DCIKNVQRBZCACC-KZNAEPCWSA-N 1 2 418.604 0.947 20 0 HCADLO CC[C@@H](C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001626234611 1079530346 /nfs/dbraw/zinc/53/03/46/1079530346.db2.gz DCIKNVQRBZCACC-SQNIBIBYSA-N 1 2 418.604 0.947 20 0 HCADLO CC[C@@H](C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001626234611 1079530335 /nfs/dbraw/zinc/53/03/35/1079530335.db2.gz DCIKNVQRBZCACC-SQNIBIBYSA-N 1 2 418.604 0.947 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC001649112206 1080014575 /nfs/dbraw/zinc/01/45/75/1080014575.db2.gz OPZHVVMPWAUHRK-KBPBESRZSA-N 1 2 422.511 0.340 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC001649112207 1080014335 /nfs/dbraw/zinc/01/43/35/1080014335.db2.gz OPZHVVMPWAUHRK-KGLIPLIRSA-N 1 2 422.511 0.340 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC001649112396 1080015642 /nfs/dbraw/zinc/01/56/42/1080015642.db2.gz OPZHVVMPWAUHRK-UONOGXRCSA-N 1 2 422.511 0.340 20 0 HCADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC001649112398 1080015864 /nfs/dbraw/zinc/01/58/64/1080015864.db2.gz OPZHVVMPWAUHRK-ZIAGYGMSSA-N 1 2 422.511 0.340 20 0 HCADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC001670897424 1079799810 /nfs/dbraw/zinc/79/98/10/1079799810.db2.gz RBEFTOPUAKWJIN-FXAWDEMLSA-N 1 2 404.467 0.649 20 0 HCADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC001670897424 1079799806 /nfs/dbraw/zinc/79/98/06/1079799806.db2.gz RBEFTOPUAKWJIN-FXAWDEMLSA-N 1 2 404.467 0.649 20 0 HCADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC001670897425 1079799605 /nfs/dbraw/zinc/79/96/05/1079799605.db2.gz RBEFTOPUAKWJIN-PXNSSMCTSA-N 1 2 404.467 0.649 20 0 HCADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC001670897425 1079799600 /nfs/dbraw/zinc/79/96/00/1079799600.db2.gz RBEFTOPUAKWJIN-PXNSSMCTSA-N 1 2 404.467 0.649 20 0 HCADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC001670897426 1079799755 /nfs/dbraw/zinc/79/97/55/1079799755.db2.gz RBEFTOPUAKWJIN-XLIONFOSSA-N 1 2 404.467 0.649 20 0 HCADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC001670897426 1079799745 /nfs/dbraw/zinc/79/97/45/1079799745.db2.gz RBEFTOPUAKWJIN-XLIONFOSSA-N 1 2 404.467 0.649 20 0 HCADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC001670897427 1079799980 /nfs/dbraw/zinc/79/99/80/1079799980.db2.gz RBEFTOPUAKWJIN-YLJYHZDGSA-N 1 2 404.467 0.649 20 0 HCADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC001670897427 1079799960 /nfs/dbraw/zinc/79/99/60/1079799960.db2.gz RBEFTOPUAKWJIN-YLJYHZDGSA-N 1 2 404.467 0.649 20 0 HCADLO CC(C)(C)OC(=O)CN1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC001670983751 1080058000 /nfs/dbraw/zinc/05/80/00/1080058000.db2.gz RISLUKPOCNZDNF-UHFFFAOYSA-N 1 2 405.561 0.434 20 0 HCADLO CC(C)CS(=O)(=O)N1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC001671010239 1080073323 /nfs/dbraw/zinc/07/33/23/1080073323.db2.gz QRSNQGRQDDUUER-UHFFFAOYSA-N 1 2 404.577 0.847 20 0 HCADLO Cn1c[nH+]cc1CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC001671048157 1080091058 /nfs/dbraw/zinc/09/10/58/1080091058.db2.gz RUPGEYAVKCSBOP-KRWDZBQOSA-N 1 2 408.480 0.877 20 0 HCADLO Cn1c[nH+]cc1CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC001671048158 1080091141 /nfs/dbraw/zinc/09/11/41/1080091141.db2.gz RUPGEYAVKCSBOP-QGZVFWFLSA-N 1 2 408.480 0.877 20 0 HCADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001687450043 1079940118 /nfs/dbraw/zinc/94/01/18/1079940118.db2.gz ROQCXSRDAJASRG-CABCVRRESA-N 1 2 402.561 0.742 20 0 HCADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001687450044 1079940143 /nfs/dbraw/zinc/94/01/43/1079940143.db2.gz ROQCXSRDAJASRG-GJZGRUSLSA-N 1 2 402.561 0.742 20 0 HCADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001687450045 1079940423 /nfs/dbraw/zinc/94/04/23/1079940423.db2.gz ROQCXSRDAJASRG-HUUCEWRRSA-N 1 2 402.561 0.742 20 0 HCADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001687450046 1079940254 /nfs/dbraw/zinc/94/02/54/1079940254.db2.gz ROQCXSRDAJASRG-LSDHHAIUSA-N 1 2 402.561 0.742 20 0 HCADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1nnc2n1CCNC2=O ZINC001687453589 1080004813 /nfs/dbraw/zinc/00/48/13/1080004813.db2.gz YYKZAFIYFBQFHE-UHFFFAOYSA-N 1 2 412.498 0.865 20 0 HCADLO