smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000019914949 590044201 /nfs/dbraw/zinc/04/42/01/590044201.db2.gz XMZKKDUBJMWXIU-CABCVRRESA-N 2 0 242.451 3.521 20 0 BHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000019914951 590044193 /nfs/dbraw/zinc/04/41/93/590044193.db2.gz XMZKKDUBJMWXIU-GJZGRUSLSA-N 2 0 242.451 3.521 20 0 BHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000019914953 590043947 /nfs/dbraw/zinc/04/39/47/590043947.db2.gz XMZKKDUBJMWXIU-HUUCEWRRSA-N 2 0 242.451 3.521 20 0 BHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000019914955 590044117 /nfs/dbraw/zinc/04/41/17/590044117.db2.gz XMZKKDUBJMWXIU-LSDHHAIUSA-N 2 0 242.451 3.521 20 0 BHADRP CC[N@H+](CCCCCCC[NH3+])C1CCCCC1 ZINC000020073396 590070839 /nfs/dbraw/zinc/07/08/39/590070839.db2.gz CNEURNQFQCRIQS-UHFFFAOYSA-N 2 0 240.435 3.550 20 0 BHADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020089025 171367050 /nfs/dbraw/zinc/36/70/50/171367050.db2.gz UJRPGPIQMZPKIY-SOUVJXGZSA-N 2 0 242.451 3.521 20 0 BHADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020089029 171390582 /nfs/dbraw/zinc/39/05/82/171390582.db2.gz UJRPGPIQMZPKIY-KKUMJFAQSA-N 2 0 242.451 3.521 20 0 BHADRP C[N@H+](CCCCCCC[NH3+])C1CCCCCC1 ZINC000036328718 640482667 /nfs/dbraw/zinc/48/26/67/640482667.db2.gz DVHWLWRAZCIQJZ-UHFFFAOYSA-N 2 0 240.435 3.550 20 0 BHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC000037488780 712651174 /nfs/dbraw/zinc/65/11/74/712651174.db2.gz BQHICUSFXHYVTG-CQSZACIVSA-N 2 0 242.451 3.523 20 0 BHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCC(C)(C)C ZINC000037488781 712651178 /nfs/dbraw/zinc/65/11/78/712651178.db2.gz BQHICUSFXHYVTG-AWEZNQCLSA-N 2 0 242.451 3.523 20 0 BHADRP CCC[C@@H](C)[C@H](CC)[NH2+]CCc1ccncc1C ZINC000090846814 343425058 /nfs/dbraw/zinc/42/50/58/343425058.db2.gz ARHXDBFKDUWWEQ-CJNGLKHVSA-N 2 0 248.414 3.737 20 0 BHADRP CCC[C@H](C)[C@H](CC)[NH2+]CCc1ccncc1C ZINC000090846815 343425139 /nfs/dbraw/zinc/42/51/39/343425139.db2.gz ARHXDBFKDUWWEQ-BBRMVZONSA-N 2 0 248.414 3.737 20 0 BHADRP CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131926489 358701411 /nfs/dbraw/zinc/70/14/11/358701411.db2.gz KSCDJGWRTKJQPK-VBNZEHGJSA-N 2 0 246.398 3.546 20 0 BHADRP CC(C)CC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131926904 358701306 /nfs/dbraw/zinc/70/13/06/358701306.db2.gz KSCDJGWRTKJQPK-RCBQFDQVSA-N 2 0 246.398 3.546 20 0 BHADRP CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131979686 591682669 /nfs/dbraw/zinc/68/26/69/591682669.db2.gz KYFAMNFHXROHIB-VBNZEHGJSA-N 2 0 246.398 3.690 20 0 BHADRP CCCCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131980115 591681981 /nfs/dbraw/zinc/68/19/81/591681981.db2.gz KYFAMNFHXROHIB-RCBQFDQVSA-N 2 0 246.398 3.690 20 0 BHADRP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132153927 358708776 /nfs/dbraw/zinc/70/87/76/358708776.db2.gz AKTJXKXHGSVWQO-GVAFMPQTSA-N 2 0 246.398 3.546 20 0 BHADRP CC[NH+](CCCCC[N@@H+](CC)C(C)C)C(C)C ZINC000157705177 342828175 /nfs/dbraw/zinc/82/81/75/342828175.db2.gz HKLOWXLPOYOCPW-UHFFFAOYSA-N 2 0 242.451 3.617 20 0 BHADRP CC[C@@H](C)[NH+](C)CCCCC[N@@H+](C)[C@@H](C)CC ZINC000172654155 365363908 /nfs/dbraw/zinc/36/39/08/365363908.db2.gz LQBVBXQIMKFYHU-GASCZTMLSA-N 2 0 242.451 3.617 20 0 BHADRP CC[C@H](C)[NH+](C)CCCCC[N@@H+](C)[C@@H](C)CC ZINC000172654159 365363725 /nfs/dbraw/zinc/36/37/25/365363725.db2.gz LQBVBXQIMKFYHU-GJZGRUSLSA-N 2 0 242.451 3.617 20 0 BHADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CCC[N@H+](C)C(C)C ZINC000221921231 385803505 /nfs/dbraw/zinc/80/35/05/385803505.db2.gz MXVVFVXZAZSFKI-HUUCEWRRSA-N 2 0 242.451 3.521 20 0 BHADRP CC[C@H](C[C@@H](C)CC)[NH2+]CCC[N@H+](C)C(C)C ZINC000221921305 385804327 /nfs/dbraw/zinc/80/43/27/385804327.db2.gz MXVVFVXZAZSFKI-LSDHHAIUSA-N 2 0 242.451 3.521 20 0 BHADRP CC[C@@H](C)C[C@H](CC)[NH2+]CCC[N@H+](C)C(C)C ZINC000221921359 385804406 /nfs/dbraw/zinc/80/44/06/385804406.db2.gz MXVVFVXZAZSFKI-CABCVRRESA-N 2 0 242.451 3.521 20 0 BHADRP CC[C@H](C)C[C@H](CC)[NH2+]CCC[N@H+](C)C(C)C ZINC000221921418 385804173 /nfs/dbraw/zinc/80/41/73/385804173.db2.gz MXVVFVXZAZSFKI-GJZGRUSLSA-N 2 0 242.451 3.521 20 0 BHADRP CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536388 635451615 /nfs/dbraw/zinc/45/16/15/635451615.db2.gz KYFAMNFHXROHIB-APHBMKBZSA-N 2 0 246.398 3.690 20 0 BHADRP CCCCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536401 640838454 /nfs/dbraw/zinc/83/84/54/640838454.db2.gz KYFAMNFHXROHIB-MAZHCROVSA-N 2 0 246.398 3.690 20 0 BHADRP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541643 134382963 /nfs/dbraw/zinc/38/29/63/134382963.db2.gz AKTJXKXHGSVWQO-YXAMBPQSSA-N 2 0 246.398 3.546 20 0 BHADRP CC[C@@H](C)[NH+](C)CCCCC[N@@H+](C)[C@H](C)CC ZINC000246977577 349109712 /nfs/dbraw/zinc/10/97/12/349109712.db2.gz LQBVBXQIMKFYHU-HUUCEWRRSA-N 2 0 242.451 3.617 20 0 BHADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000248533967 384905687 /nfs/dbraw/zinc/90/56/87/384905687.db2.gz UJRPGPIQMZPKIY-RRFJBIMHSA-N 2 0 242.451 3.521 20 0 BHADRP CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000248533968 384905405 /nfs/dbraw/zinc/90/54/05/384905405.db2.gz UJRPGPIQMZPKIY-ZNMIVQPWSA-N 2 0 242.451 3.521 20 0 BHADRP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252752339 135107271 /nfs/dbraw/zinc/10/72/71/135107271.db2.gz AKTJXKXHGSVWQO-APYUEPQZSA-N 2 0 246.398 3.546 20 0 BHADRP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000252752340 135107817 /nfs/dbraw/zinc/10/78/17/135107817.db2.gz AKTJXKXHGSVWQO-RKLWJJNISA-N 2 0 246.398 3.546 20 0 BHADRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000310320314 388480244 /nfs/dbraw/zinc/48/02/44/388480244.db2.gz ZTTHJEMFJPRJAF-AWEZNQCLSA-N 2 0 242.451 3.521 20 0 BHADRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CCC(C)(C)C ZINC000310320316 388480407 /nfs/dbraw/zinc/48/04/07/388480407.db2.gz ZTTHJEMFJPRJAF-CQSZACIVSA-N 2 0 242.451 3.521 20 0 BHADRP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000310927403 385241479 /nfs/dbraw/zinc/24/14/79/385241479.db2.gz UCKSBCRFQLSNNO-KBPBESRZSA-N 2 0 248.414 3.588 20 0 BHADRP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000310927405 385242080 /nfs/dbraw/zinc/24/20/80/385242080.db2.gz UCKSBCRFQLSNNO-KGLIPLIRSA-N 2 0 248.414 3.588 20 0 BHADRP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000310927406 385242448 /nfs/dbraw/zinc/24/24/48/385242448.db2.gz UCKSBCRFQLSNNO-UONOGXRCSA-N 2 0 248.414 3.588 20 0 BHADRP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000310927408 385241217 /nfs/dbraw/zinc/24/12/17/385241217.db2.gz UCKSBCRFQLSNNO-ZIAGYGMSSA-N 2 0 248.414 3.588 20 0 BHADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(C)cc1 ZINC000311202827 347383302 /nfs/dbraw/zinc/38/33/02/347383302.db2.gz IISXMHMGWISYEZ-GDBMZVCRSA-N 2 0 248.414 3.553 20 0 BHADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C)cc1 ZINC000311202829 347383375 /nfs/dbraw/zinc/38/33/75/347383375.db2.gz IISXMHMGWISYEZ-GOEBONIOSA-N 2 0 248.414 3.553 20 0 BHADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C)cc1 ZINC000311202830 171536002 /nfs/dbraw/zinc/53/60/02/171536002.db2.gz IISXMHMGWISYEZ-HOCLYGCPSA-N 2 0 248.414 3.553 20 0 BHADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(C)cc1 ZINC000311202832 385369970 /nfs/dbraw/zinc/36/99/70/385369970.db2.gz IISXMHMGWISYEZ-ZBFHGGJFSA-N 2 0 248.414 3.553 20 0 BHADRP CC(C)(C)CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000313269616 370575564 /nfs/dbraw/zinc/57/55/64/370575564.db2.gz ZAXMLQAIAFIWBU-CABCVRRESA-N 2 0 246.398 3.547 20 0 BHADRP CC(C)(C)CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000313269617 490296229 /nfs/dbraw/zinc/29/62/29/490296229.db2.gz ZAXMLQAIAFIWBU-GJZGRUSLSA-N 2 0 246.398 3.547 20 0 BHADRP CC(C)(C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000313269619 490296828 /nfs/dbraw/zinc/29/68/28/490296828.db2.gz ZAXMLQAIAFIWBU-HUUCEWRRSA-N 2 0 246.398 3.547 20 0 BHADRP CC(C)(C)CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000313269620 490296771 /nfs/dbraw/zinc/29/67/71/490296771.db2.gz ZAXMLQAIAFIWBU-LSDHHAIUSA-N 2 0 246.398 3.547 20 0 BHADRP CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000336789896 169403099 /nfs/dbraw/zinc/40/30/99/169403099.db2.gz KBVRQXBMUCKVCO-GDBMZVCRSA-N 2 0 248.414 3.635 20 0 BHADRP CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000336789897 388471491 /nfs/dbraw/zinc/47/14/91/388471491.db2.gz KBVRQXBMUCKVCO-GOEBONIOSA-N 2 0 248.414 3.635 20 0 BHADRP CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000336789898 388471263 /nfs/dbraw/zinc/47/12/63/388471263.db2.gz KBVRQXBMUCKVCO-HOCLYGCPSA-N 2 0 248.414 3.635 20 0 BHADRP CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000336789899 169513740 /nfs/dbraw/zinc/51/37/40/169513740.db2.gz KBVRQXBMUCKVCO-ZBFHGGJFSA-N 2 0 248.414 3.635 20 0 BHADRP CC(C)CCC[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000338448609 386004389 /nfs/dbraw/zinc/00/43/89/386004389.db2.gz RGYXFAGDXQYFPN-UHFFFAOYSA-N 2 0 242.451 3.521 20 0 BHADRP CCCC[N@H+](CCCc1ccc(C)nc1)C1CC1 ZINC000353452359 387203930 /nfs/dbraw/zinc/20/39/30/387203930.db2.gz WBWLNKHYPDEUIH-UHFFFAOYSA-N 2 0 246.398 3.587 20 0 BHADRP C[C@@H](c1ccccc1)[N@H+](C)CCCCCCC[NH3+] ZINC000383669920 712383928 /nfs/dbraw/zinc/38/39/28/712383928.db2.gz VMSPKIIWMAWSFC-HNNXBMFYSA-N 2 0 248.414 3.589 20 0 BHADRP C[C@H](c1ccccc1)[N@H+](C)CCCCCCC[NH3+] ZINC000383669921 712383526 /nfs/dbraw/zinc/38/35/26/712383526.db2.gz VMSPKIIWMAWSFC-OAHLLOKOSA-N 2 0 248.414 3.589 20 0 BHADRP CCCC(CCC)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414809639 386621988 /nfs/dbraw/zinc/62/19/88/386621988.db2.gz MMOCMEPPPIOIIM-CYBMUJFWSA-N 2 0 248.414 3.765 20 0 BHADRP CCCC(CCC)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414809641 386621836 /nfs/dbraw/zinc/62/18/36/386621836.db2.gz MMOCMEPPPIOIIM-ZDUSSCGKSA-N 2 0 248.414 3.765 20 0 BHADRP CCCC[C@H](CC)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414813994 386636456 /nfs/dbraw/zinc/63/64/56/386636456.db2.gz NDNNPHGPISXFAT-BBRMVZONSA-N 2 0 248.414 3.765 20 0 BHADRP CCCC[C@H](CC)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414813997 386637772 /nfs/dbraw/zinc/63/77/72/386637772.db2.gz NDNNPHGPISXFAT-CJNGLKHVSA-N 2 0 248.414 3.765 20 0 BHADRP CCCC[C@@H](CC)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414814000 386635962 /nfs/dbraw/zinc/63/59/62/386635962.db2.gz NDNNPHGPISXFAT-CZUORRHYSA-N 2 0 248.414 3.765 20 0 BHADRP CCCC[C@@H](CC)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414814002 386635794 /nfs/dbraw/zinc/63/57/94/386635794.db2.gz NDNNPHGPISXFAT-XJKSGUPXSA-N 2 0 248.414 3.765 20 0 BHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000414816278 386652379 /nfs/dbraw/zinc/65/23/79/386652379.db2.gz ZUHINMQXWFDMOO-CYBMUJFWSA-N 2 0 246.398 3.519 20 0 BHADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000414816279 386653109 /nfs/dbraw/zinc/65/31/09/386653109.db2.gz ZUHINMQXWFDMOO-ZDUSSCGKSA-N 2 0 246.398 3.519 20 0 BHADRP CC(C)CC[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414819714 386660242 /nfs/dbraw/zinc/66/02/42/386660242.db2.gz ZKEADPKPAZHDGE-KBPBESRZSA-N 2 0 248.414 3.621 20 0 BHADRP CC(C)CC[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414819715 191580365 /nfs/dbraw/zinc/58/03/65/191580365.db2.gz ZKEADPKPAZHDGE-KGLIPLIRSA-N 2 0 248.414 3.621 20 0 BHADRP CC(C)CC[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414819718 191581344 /nfs/dbraw/zinc/58/13/44/191581344.db2.gz ZKEADPKPAZHDGE-UONOGXRCSA-N 2 0 248.414 3.621 20 0 BHADRP CC(C)CC[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414819720 386660379 /nfs/dbraw/zinc/66/03/79/386660379.db2.gz ZKEADPKPAZHDGE-ZIAGYGMSSA-N 2 0 248.414 3.621 20 0 BHADRP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415007382 386358931 /nfs/dbraw/zinc/35/89/31/386358931.db2.gz BMRYWKCDSCMNAF-KKUMJFAQSA-N 2 0 242.451 3.554 20 0 BHADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415007386 386358255 /nfs/dbraw/zinc/35/82/55/386358255.db2.gz BMRYWKCDSCMNAF-RRFJBIMHSA-N 2 0 242.451 3.554 20 0 BHADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415007387 386357698 /nfs/dbraw/zinc/35/76/98/386357698.db2.gz BMRYWKCDSCMNAF-SOUVJXGZSA-N 2 0 242.451 3.554 20 0 BHADRP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415007389 386358128 /nfs/dbraw/zinc/35/81/28/386358128.db2.gz BMRYWKCDSCMNAF-ZNMIVQPWSA-N 2 0 242.451 3.554 20 0 BHADRP CCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415052834 386553816 /nfs/dbraw/zinc/55/38/16/386553816.db2.gz LSNCGNUFSVQSIU-CVEARBPZSA-N 2 0 248.414 3.635 20 0 BHADRP CCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415052835 386554987 /nfs/dbraw/zinc/55/49/87/386554987.db2.gz LSNCGNUFSVQSIU-HOTGVXAUSA-N 2 0 248.414 3.635 20 0 BHADRP CCC[C@@H](CC)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415052836 386554979 /nfs/dbraw/zinc/55/49/79/386554979.db2.gz LSNCGNUFSVQSIU-HZPDHXFCSA-N 2 0 248.414 3.635 20 0 BHADRP CCC[C@H](CC)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415052837 386555093 /nfs/dbraw/zinc/55/50/93/386555093.db2.gz LSNCGNUFSVQSIU-JKSUJKDBSA-N 2 0 248.414 3.635 20 0 BHADRP CCCC[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415058108 386542208 /nfs/dbraw/zinc/54/22/08/386542208.db2.gz SKGYFEWUIBOAAZ-GDBMZVCRSA-N 2 0 248.414 3.635 20 0 BHADRP CCCC[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415058109 386541538 /nfs/dbraw/zinc/54/15/38/386541538.db2.gz SKGYFEWUIBOAAZ-GOEBONIOSA-N 2 0 248.414 3.635 20 0 BHADRP CCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415058110 386542458 /nfs/dbraw/zinc/54/24/58/386542458.db2.gz SKGYFEWUIBOAAZ-HOCLYGCPSA-N 2 0 248.414 3.635 20 0 BHADRP CCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415058111 386541806 /nfs/dbraw/zinc/54/18/06/386541806.db2.gz SKGYFEWUIBOAAZ-ZBFHGGJFSA-N 2 0 248.414 3.635 20 0 BHADRP CC(C)CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C(C)(C)C ZINC000422747538 192450451 /nfs/dbraw/zinc/45/04/51/192450451.db2.gz QJJXPBDZAUITLY-KBPBESRZSA-N 2 0 242.451 3.554 20 0 BHADRP CC(C)CC[C@H]([NH2+][C@H](C)CCC[NH3+])C(C)(C)C ZINC000422747539 387650231 /nfs/dbraw/zinc/65/02/31/387650231.db2.gz QJJXPBDZAUITLY-KGLIPLIRSA-N 2 0 242.451 3.554 20 0 BHADRP CC(C)CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(C)(C)C ZINC000422747540 387651445 /nfs/dbraw/zinc/65/14/45/387651445.db2.gz QJJXPBDZAUITLY-UONOGXRCSA-N 2 0 242.451 3.554 20 0 BHADRP CC(C)CC[C@@H]([NH2+][C@H](C)CCC[NH3+])C(C)(C)C ZINC000422747541 387650778 /nfs/dbraw/zinc/65/07/78/387650778.db2.gz QJJXPBDZAUITLY-ZIAGYGMSSA-N 2 0 242.451 3.554 20 0 BHADRP CC(C)CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000422747546 387650748 /nfs/dbraw/zinc/65/07/48/387650748.db2.gz QJTAFOWZPSHHBQ-IHRRRGAJSA-N 2 0 242.451 3.553 20 0 BHADRP CC(C)CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000422747547 387651352 /nfs/dbraw/zinc/65/13/52/387651352.db2.gz QJTAFOWZPSHHBQ-MCIONIFRSA-N 2 0 242.451 3.553 20 0 BHADRP CC(C)CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000422747548 387650833 /nfs/dbraw/zinc/65/08/33/387650833.db2.gz QJTAFOWZPSHHBQ-MJBXVCDLSA-N 2 0 242.451 3.553 20 0 BHADRP CC(C)CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000422747549 387651773 /nfs/dbraw/zinc/65/17/73/387651773.db2.gz QJTAFOWZPSHHBQ-RDBSUJKOSA-N 2 0 242.451 3.553 20 0 BHADRP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422863154 387743988 /nfs/dbraw/zinc/74/39/88/387743988.db2.gz RDAGRJFROUUKHH-ILXRZTDVSA-N 2 0 246.398 3.546 20 0 BHADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422863167 387743153 /nfs/dbraw/zinc/74/31/53/387743153.db2.gz RDAGRJFROUUKHH-KFWWJZLASA-N 2 0 246.398 3.546 20 0 BHADRP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422863169 387743358 /nfs/dbraw/zinc/74/33/58/387743358.db2.gz RDAGRJFROUUKHH-KKUMJFAQSA-N 2 0 246.398 3.546 20 0 BHADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422863171 387743039 /nfs/dbraw/zinc/74/30/39/387743039.db2.gz RDAGRJFROUUKHH-ZNMIVQPWSA-N 2 0 246.398 3.546 20 0 BHADRP CC(C)CC(CC(C)C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422935509 192509757 /nfs/dbraw/zinc/50/97/57/192509757.db2.gz ANXSYYCGGCWCGV-AWEZNQCLSA-N 2 0 242.451 3.554 20 0 BHADRP CC(C)CC(CC(C)C)[NH2+][C@H](C)CCCC[NH3+] ZINC000422935512 387782666 /nfs/dbraw/zinc/78/26/66/387782666.db2.gz ANXSYYCGGCWCGV-CQSZACIVSA-N 2 0 242.451 3.554 20 0 BHADRP C[C@@H](CC[NH2+][C@@H](C)CCCC[NH3+])CC(C)(C)C ZINC000423064267 387867760 /nfs/dbraw/zinc/86/77/60/387867760.db2.gz YQUGFFRFVLJJKT-KBPBESRZSA-N 2 0 242.451 3.556 20 0 BHADRP C[C@H](CC[NH2+][C@@H](C)CCCC[NH3+])CC(C)(C)C ZINC000423064268 387867177 /nfs/dbraw/zinc/86/71/77/387867177.db2.gz YQUGFFRFVLJJKT-KGLIPLIRSA-N 2 0 242.451 3.556 20 0 BHADRP C[C@@H](CC[NH2+][C@H](C)CCCC[NH3+])CC(C)(C)C ZINC000423064269 387867082 /nfs/dbraw/zinc/86/70/82/387867082.db2.gz YQUGFFRFVLJJKT-UONOGXRCSA-N 2 0 242.451 3.556 20 0 BHADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000423064270 387867895 /nfs/dbraw/zinc/86/78/95/387867895.db2.gz YQUGFFRFVLJJKT-ZIAGYGMSSA-N 2 0 242.451 3.556 20 0 BHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CC(C)(C)C)cc1 ZINC000423292119 388075699 /nfs/dbraw/zinc/07/56/99/388075699.db2.gz LMGWFKQWGXMWHQ-CHWSQXEVSA-N 2 0 248.414 3.621 20 0 BHADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423292120 388076055 /nfs/dbraw/zinc/07/60/55/388076055.db2.gz LMGWFKQWGXMWHQ-OLZOCXBDSA-N 2 0 248.414 3.621 20 0 BHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(C)(C)C)cc1 ZINC000423292121 388076196 /nfs/dbraw/zinc/07/61/96/388076196.db2.gz LMGWFKQWGXMWHQ-QWHCGFSZSA-N 2 0 248.414 3.621 20 0 BHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(C)(C)C)cc1 ZINC000423292122 388075473 /nfs/dbraw/zinc/07/54/73/388075473.db2.gz LMGWFKQWGXMWHQ-STQMWFEESA-N 2 0 248.414 3.621 20 0 BHADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc(C)c1 ZINC000423423732 387250030 /nfs/dbraw/zinc/25/00/30/387250030.db2.gz DZQFQTOYVNEBRI-GDBMZVCRSA-N 2 0 248.414 3.553 20 0 BHADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(C)c1 ZINC000423423733 192750471 /nfs/dbraw/zinc/75/04/71/192750471.db2.gz DZQFQTOYVNEBRI-GOEBONIOSA-N 2 0 248.414 3.553 20 0 BHADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(C)c1 ZINC000423423734 387249875 /nfs/dbraw/zinc/24/98/75/387249875.db2.gz DZQFQTOYVNEBRI-HOCLYGCPSA-N 2 0 248.414 3.553 20 0 BHADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc(C)c1 ZINC000423423735 387250743 /nfs/dbraw/zinc/25/07/43/387250743.db2.gz DZQFQTOYVNEBRI-ZBFHGGJFSA-N 2 0 248.414 3.553 20 0 BHADRP CCCC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000423447043 192773486 /nfs/dbraw/zinc/77/34/86/192773486.db2.gz CZBWVIQFXMORCK-GDBMZVCRSA-N 2 0 248.414 3.635 20 0 BHADRP CCCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1 ZINC000423447049 387296908 /nfs/dbraw/zinc/29/69/08/387296908.db2.gz CZBWVIQFXMORCK-GOEBONIOSA-N 2 0 248.414 3.635 20 0 BHADRP CCCC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1 ZINC000423447054 387297686 /nfs/dbraw/zinc/29/76/86/387297686.db2.gz CZBWVIQFXMORCK-HOCLYGCPSA-N 2 0 248.414 3.635 20 0 BHADRP CCCC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000423447058 387297481 /nfs/dbraw/zinc/29/74/81/387297481.db2.gz CZBWVIQFXMORCK-ZBFHGGJFSA-N 2 0 248.414 3.635 20 0 BHADRP CC(C)[NH+](CCC[NH2+]CCC(C)(C)C)C(C)C ZINC000438193020 201398018 /nfs/dbraw/zinc/39/80/18/201398018.db2.gz RZVKBXVZINYGSM-UHFFFAOYSA-N 2 0 242.451 3.521 20 0 BHADRP CC[NH+](CC)CCC[NH2+]C(C)(C)CC(C)(C)C ZINC000472563253 528112969 /nfs/dbraw/zinc/11/29/69/528112969.db2.gz KPSCMSQRPCRZJJ-UHFFFAOYSA-N 2 0 242.451 3.523 20 0 BHADRP CCC[C@@H](C)[C@H](CC)[NH2+]CCC[N@H+](C)C(C)C ZINC000480187208 528905048 /nfs/dbraw/zinc/90/50/48/528905048.db2.gz WWZHYFJYFRQLPY-CABCVRRESA-N 2 0 242.451 3.521 20 0 BHADRP CCC[C@H](C)[C@H](CC)[NH2+]CCC[N@H+](C)C(C)C ZINC000480187209 528075655 /nfs/dbraw/zinc/07/56/55/528075655.db2.gz WWZHYFJYFRQLPY-GJZGRUSLSA-N 2 0 242.451 3.521 20 0 BHADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CCC[N@H+](C)C(C)C ZINC000480187210 528901837 /nfs/dbraw/zinc/90/18/37/528901837.db2.gz WWZHYFJYFRQLPY-HUUCEWRRSA-N 2 0 242.451 3.521 20 0 BHADRP CCC[C@H](C)[C@@H](CC)[NH2+]CCC[N@H+](C)C(C)C ZINC000480187212 528069356 /nfs/dbraw/zinc/06/93/56/528069356.db2.gz WWZHYFJYFRQLPY-LSDHHAIUSA-N 2 0 242.451 3.521 20 0 BHADRP CC(C)[NH+](CCC[NH2+][C@@H](C)C(C)(C)C)C(C)C ZINC000483847511 528886142 /nfs/dbraw/zinc/88/61/42/528886142.db2.gz DTNFMKDAQCIMHO-AWEZNQCLSA-N 2 0 242.451 3.520 20 0 BHADRP CC(C)[NH+](CCC[NH2+][C@H](C)C(C)(C)C)C(C)C ZINC000483847526 528885559 /nfs/dbraw/zinc/88/55/59/528885559.db2.gz DTNFMKDAQCIMHO-CQSZACIVSA-N 2 0 242.451 3.520 20 0 BHADRP CC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C(C)C ZINC000531984009 323163919 /nfs/dbraw/zinc/16/39/19/323163919.db2.gz BYSYAWMPXRUAAC-HNNXBMFYSA-N 2 0 242.451 3.520 20 0 BHADRP CC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C(C)C ZINC000531984010 323163963 /nfs/dbraw/zinc/16/39/63/323163963.db2.gz BYSYAWMPXRUAAC-OAHLLOKOSA-N 2 0 242.451 3.520 20 0 BHADRP CC[C@@H](C)[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000532240279 323211139 /nfs/dbraw/zinc/21/11/39/323211139.db2.gz ULFFOHGPOFHEAM-CABCVRRESA-N 2 0 242.451 3.520 20 0 BHADRP CC[C@H](C)[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000532240288 323211102 /nfs/dbraw/zinc/21/11/02/323211102.db2.gz ULFFOHGPOFHEAM-GJZGRUSLSA-N 2 0 242.451 3.520 20 0 BHADRP CC[C@@H](C)[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000532240289 323211186 /nfs/dbraw/zinc/21/11/86/323211186.db2.gz ULFFOHGPOFHEAM-HUUCEWRRSA-N 2 0 242.451 3.520 20 0 BHADRP CC[C@H](C)[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000532240290 323211068 /nfs/dbraw/zinc/21/10/68/323211068.db2.gz ULFFOHGPOFHEAM-LSDHHAIUSA-N 2 0 242.451 3.520 20 0 BHADRP CCC[C@@H](C)[C@H](CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000562089445 323011920 /nfs/dbraw/zinc/01/19/20/323011920.db2.gz ADHXSBFYUJPHSL-ILXRZTDVSA-N 2 0 242.451 3.520 20 0 BHADRP CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000562089450 323011806 /nfs/dbraw/zinc/01/18/06/323011806.db2.gz ADHXSBFYUJPHSL-KKUMJFAQSA-N 2 0 242.451 3.520 20 0 BHADRP CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000562089451 323011856 /nfs/dbraw/zinc/01/18/56/323011856.db2.gz ADHXSBFYUJPHSL-QLFBSQMISA-N 2 0 242.451 3.520 20 0 BHADRP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000562089453 323011901 /nfs/dbraw/zinc/01/19/01/323011901.db2.gz ADHXSBFYUJPHSL-SOUVJXGZSA-N 2 0 242.451 3.520 20 0 BHADRP CC[N@H+](CCCc1cnccc1C)[C@@H](C)C(C)C ZINC000563779106 323177494 /nfs/dbraw/zinc/17/74/94/323177494.db2.gz GOJKNDSHOSTAEC-HNNXBMFYSA-N 2 0 248.414 3.689 20 0 BHADRP CC[N@H+](CCCc1cnccc1C)[C@H](C)C(C)C ZINC000563779107 323177475 /nfs/dbraw/zinc/17/74/75/323177475.db2.gz GOJKNDSHOSTAEC-OAHLLOKOSA-N 2 0 248.414 3.689 20 0 BHADRP CCCC[C@@H](C)[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000570788906 323070179 /nfs/dbraw/zinc/07/01/79/323070179.db2.gz QOWXVODTLWNXHE-CABCVRRESA-N 2 0 242.451 3.521 20 0 BHADRP CCCC[C@H](C)[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000570788909 323070166 /nfs/dbraw/zinc/07/01/66/323070166.db2.gz QOWXVODTLWNXHE-GJZGRUSLSA-N 2 0 242.451 3.521 20 0 BHADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000570788910 323070151 /nfs/dbraw/zinc/07/01/51/323070151.db2.gz QOWXVODTLWNXHE-HUUCEWRRSA-N 2 0 242.451 3.521 20 0 BHADRP CCCC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000570788914 323070231 /nfs/dbraw/zinc/07/02/31/323070231.db2.gz QOWXVODTLWNXHE-LSDHHAIUSA-N 2 0 242.451 3.521 20 0 BHADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000573711371 364899564 /nfs/dbraw/zinc/89/95/64/364899564.db2.gz LSOBNKYUYOQPLB-CHWSQXEVSA-N 2 0 248.414 3.621 20 0 BHADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000573711372 364899558 /nfs/dbraw/zinc/89/95/58/364899558.db2.gz LSOBNKYUYOQPLB-OLZOCXBDSA-N 2 0 248.414 3.621 20 0 BHADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000573711373 364898635 /nfs/dbraw/zinc/89/86/35/364898635.db2.gz LSOBNKYUYOQPLB-QWHCGFSZSA-N 2 0 248.414 3.621 20 0 BHADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000573711374 364899112 /nfs/dbraw/zinc/89/91/12/364899112.db2.gz LSOBNKYUYOQPLB-STQMWFEESA-N 2 0 248.414 3.621 20 0 BHADRP CC[C@H](C)C[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000574558466 365089609 /nfs/dbraw/zinc/08/96/09/365089609.db2.gz HEBSVYYHFYYZBC-DZGCQCFKSA-N 2 0 248.414 3.737 20 0 BHADRP CC[C@@H](C)C[C@H](C)[NH2+]CCCc1cnccc1C ZINC000574558467 365089019 /nfs/dbraw/zinc/08/90/19/365089019.db2.gz HEBSVYYHFYYZBC-HIFRSBDPSA-N 2 0 248.414 3.737 20 0 BHADRP CC[C@@H](C)C[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000574558468 365089472 /nfs/dbraw/zinc/08/94/72/365089472.db2.gz HEBSVYYHFYYZBC-UKRRQHHQSA-N 2 0 248.414 3.737 20 0 BHADRP CC[C@H](C)C[C@H](C)[NH2+]CCCc1cnccc1C ZINC000574558469 365089058 /nfs/dbraw/zinc/08/90/58/365089058.db2.gz HEBSVYYHFYYZBC-ZFWWWQNUSA-N 2 0 248.414 3.737 20 0 BHADRP CCC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccccc1 ZINC000576742854 365673702 /nfs/dbraw/zinc/67/37/02/365673702.db2.gz DPVAJPRNQDYYTE-INIZCTEOSA-N 2 0 248.414 3.506 20 0 BHADRP CCC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccccc1 ZINC000576742857 365673955 /nfs/dbraw/zinc/67/39/55/365673955.db2.gz DPVAJPRNQDYYTE-MRXNPFEDSA-N 2 0 248.414 3.506 20 0 BHADRP CC[C@H]1CCCC[N@@H+]1CCCc1cnccc1C ZINC000580498345 359751345 /nfs/dbraw/zinc/75/13/45/359751345.db2.gz KDHANRSUAYMMFW-INIZCTEOSA-N 2 0 246.398 3.587 20 0 BHADRP CC[C@@H]1CCCC[N@@H+]1CCCc1cnccc1C ZINC000580498346 359751048 /nfs/dbraw/zinc/75/10/48/359751048.db2.gz KDHANRSUAYMMFW-MRXNPFEDSA-N 2 0 246.398 3.587 20 0 BHADRP CCC(C)(C)[NH+](C)CCC[N@@H+](C)C(C)(C)CC ZINC000607152556 351030892 /nfs/dbraw/zinc/03/08/92/351030892.db2.gz OZFGSTWRNGWULP-UHFFFAOYSA-N 2 0 242.451 3.617 20 0 BHADRP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665236711 412176896 /nfs/dbraw/zinc/17/68/96/412176896.db2.gz SILBCXWVQITNEF-CQDKDKBSSA-N 2 0 246.398 3.546 20 0 BHADRP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665236712 412175811 /nfs/dbraw/zinc/17/58/11/412175811.db2.gz SILBCXWVQITNEF-GLQYFDAESA-N 2 0 246.398 3.546 20 0 BHADRP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665236713 412177077 /nfs/dbraw/zinc/17/70/77/412177077.db2.gz SILBCXWVQITNEF-NILFDRSVSA-N 2 0 246.398 3.546 20 0 BHADRP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665236714 412177115 /nfs/dbraw/zinc/17/71/15/412177115.db2.gz SILBCXWVQITNEF-TUKIKUTGSA-N 2 0 246.398 3.546 20 0 BHADRP C[N@H+](CCCCCC[NH3+])C1CCCCCCC1 ZINC000710725958 712255581 /nfs/dbraw/zinc/25/55/81/712255581.db2.gz XTSVEWXJUZFFPH-UHFFFAOYSA-N 2 0 240.435 3.550 20 0 BHADRP Cc1ccccc1[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710729436 712255227 /nfs/dbraw/zinc/25/52/27/712255227.db2.gz LJJLGEWOMYNBEU-HNNXBMFYSA-N 2 0 248.414 3.507 20 0 BHADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710729440 712255431 /nfs/dbraw/zinc/25/54/31/712255431.db2.gz LJJLGEWOMYNBEU-OAHLLOKOSA-N 2 0 248.414 3.507 20 0 BHADRP Cc1ccc([C@H](C)[N@H+](C)CCCCCC[NH3+])cc1 ZINC000710730536 712255691 /nfs/dbraw/zinc/25/56/91/712255691.db2.gz UFTJSUBNALFMJY-HNNXBMFYSA-N 2 0 248.414 3.507 20 0 BHADRP Cc1ccc([C@@H](C)[N@H+](C)CCCCCC[NH3+])cc1 ZINC000710730538 712255540 /nfs/dbraw/zinc/25/55/40/712255540.db2.gz UFTJSUBNALFMJY-OAHLLOKOSA-N 2 0 248.414 3.507 20 0 BHADRP CCCCC[C@H]([NH2+][C@@H](C)CCC[NH3+])C(C)(C)C ZINC000817894247 586834043 /nfs/dbraw/zinc/83/40/43/586834043.db2.gz KXTIMZHTGALNDT-KBPBESRZSA-N 2 0 242.451 3.698 20 0 BHADRP CCCCC[C@H]([NH2+][C@H](C)CCC[NH3+])C(C)(C)C ZINC000817894252 586834075 /nfs/dbraw/zinc/83/40/75/586834075.db2.gz KXTIMZHTGALNDT-KGLIPLIRSA-N 2 0 242.451 3.698 20 0 BHADRP CCCCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(C)(C)C ZINC000817894254 586833685 /nfs/dbraw/zinc/83/36/85/586833685.db2.gz KXTIMZHTGALNDT-UONOGXRCSA-N 2 0 242.451 3.698 20 0 BHADRP CCCCC[C@@H]([NH2+][C@H](C)CCC[NH3+])C(C)(C)C ZINC000817894256 586834169 /nfs/dbraw/zinc/83/41/69/586834169.db2.gz KXTIMZHTGALNDT-ZIAGYGMSSA-N 2 0 242.451 3.698 20 0 BHADRP CCCCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000817895630 586835124 /nfs/dbraw/zinc/83/51/24/586835124.db2.gz ZLVLUHQSIMKCNW-IHRRRGAJSA-N 2 0 242.451 3.697 20 0 BHADRP CCCCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000817895635 586834711 /nfs/dbraw/zinc/83/47/11/586834711.db2.gz ZLVLUHQSIMKCNW-MCIONIFRSA-N 2 0 242.451 3.697 20 0 BHADRP CCCCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000817895637 586835415 /nfs/dbraw/zinc/83/54/15/586835415.db2.gz ZLVLUHQSIMKCNW-MJBXVCDLSA-N 2 0 242.451 3.697 20 0 BHADRP CCCCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000817895639 586835238 /nfs/dbraw/zinc/83/52/38/586835238.db2.gz ZLVLUHQSIMKCNW-RDBSUJKOSA-N 2 0 242.451 3.697 20 0 BHADRP CCCCC[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000841030218 587936241 /nfs/dbraw/zinc/93/62/41/587936241.db2.gz UXJLRSLFHIENNK-KBPBESRZSA-N 2 0 248.414 3.765 20 0 BHADRP CCCCC[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000841030220 587936416 /nfs/dbraw/zinc/93/64/16/587936416.db2.gz UXJLRSLFHIENNK-KGLIPLIRSA-N 2 0 248.414 3.765 20 0 BHADRP CCCCC[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000841030221 587935957 /nfs/dbraw/zinc/93/59/57/587935957.db2.gz UXJLRSLFHIENNK-UONOGXRCSA-N 2 0 248.414 3.765 20 0 BHADRP CCCCC[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000841030223 587936054 /nfs/dbraw/zinc/93/60/54/587936054.db2.gz UXJLRSLFHIENNK-ZIAGYGMSSA-N 2 0 248.414 3.765 20 0 BHADRP CC(C)[N@H+](CCCCCCC[NH3+])C1CCCC1 ZINC000842471422 588028721 /nfs/dbraw/zinc/02/87/21/588028721.db2.gz ARHGGNCBLRUZQE-UHFFFAOYSA-N 2 0 240.435 3.549 20 0 BHADRP CCCCCC[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000843127812 588085115 /nfs/dbraw/zinc/08/51/15/588085115.db2.gz IVBRABGBAKHRRX-AWEZNQCLSA-N 2 0 248.414 3.594 20 0 BHADRP CCCCCC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000843127813 588085150 /nfs/dbraw/zinc/08/51/50/588085150.db2.gz IVBRABGBAKHRRX-CQSZACIVSA-N 2 0 248.414 3.594 20 0 BHADRP CC[C@H]([NH2+]CCCCCC[NH3+])c1cccc(C)c1 ZINC000843340330 588101221 /nfs/dbraw/zinc/10/12/21/588101221.db2.gz BAJJMQZDADFQLW-INIZCTEOSA-N 2 0 248.414 3.555 20 0 BHADRP CC[C@@H]([NH2+]CCCCCC[NH3+])c1cccc(C)c1 ZINC000843340331 583215271 /nfs/dbraw/zinc/21/52/71/583215271.db2.gz BAJJMQZDADFQLW-MRXNPFEDSA-N 2 0 248.414 3.555 20 0 BHADRP CCC[C@H]([NH2+]CCCCCC[NH3+])c1ccccc1 ZINC000843342387 588101520 /nfs/dbraw/zinc/10/15/20/588101520.db2.gz MAYNRNZUXCIKMI-INIZCTEOSA-N 2 0 248.414 3.637 20 0 BHADRP CCC[C@@H]([NH2+]CCCCCC[NH3+])c1ccccc1 ZINC000843342388 588101459 /nfs/dbraw/zinc/10/14/59/588101459.db2.gz MAYNRNZUXCIKMI-MRXNPFEDSA-N 2 0 248.414 3.637 20 0 BHADRP CC[C@H]([NH2+]CCCCCC[NH3+])c1ccc(C)cc1 ZINC000843342981 588101579 /nfs/dbraw/zinc/10/15/79/588101579.db2.gz PXRFKJWZWVMZFY-INIZCTEOSA-N 2 0 248.414 3.555 20 0 BHADRP