smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNCC(=O)NCC(C)(C)C[NH+](C)C ZINC000019519134 173327727 /nfs/dbraw/zinc/32/77/27/173327727.db2.gz GOMRBZDGRYVZGQ-UHFFFAOYSA-N 1 3 201.314 -0.090 20 0 BBADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434387 343305956 /nfs/dbraw/zinc/30/59/56/343305956.db2.gz GXIKQGHXZNNABY-MXWKQRLJSA-N 1 3 241.335 -0.690 20 0 BBADHO CN1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000020521353 173011330 /nfs/dbraw/zinc/01/13/30/173011330.db2.gz USWTTYGCEZOTAM-UHFFFAOYSA-N 1 3 240.351 -0.944 20 0 BBADHO CCN1CCN(CCOCC[NH3+])CC1 ZINC000032010040 343909042 /nfs/dbraw/zinc/90/90/42/343909042.db2.gz LGUOZCMHNLUPOL-UHFFFAOYSA-N 1 3 201.314 -0.401 20 0 BBADHO CC[NH2+]CCNC(=O)[C@@H](N)CCSC ZINC000034638913 358451992 /nfs/dbraw/zinc/45/19/92/358451992.db2.gz WZEPJMAPDAJGBD-QMMMGPOBSA-N 1 3 219.354 -0.208 20 0 BBADHO O=C(NCCN1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000035206149 182184597 /nfs/dbraw/zinc/18/45/97/182184597.db2.gz HOIALXZTPARZLK-JTQLQIEISA-N 1 3 211.309 -0.050 20 0 BBADHO O=C(NCCN1CCCC1)[C@H]1CCC[NH2+]1 ZINC000035206150 182185267 /nfs/dbraw/zinc/18/52/67/182185267.db2.gz HOIALXZTPARZLK-SNVBAGLBSA-N 1 3 211.309 -0.050 20 0 BBADHO C[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000035222812 173327784 /nfs/dbraw/zinc/32/77/84/173327784.db2.gz PPSFFVURLAWXFD-UHFFFAOYSA-N 1 3 211.309 -0.051 20 0 BBADHO O=C([C@@H]1CCCC[NH2+]1)N1CCCNCC1 ZINC000035738385 342891251 /nfs/dbraw/zinc/89/12/51/342891251.db2.gz PAQZKTDJZLBHBG-JTQLQIEISA-N 1 3 211.309 -0.050 20 0 BBADHO O=C([C@H]1CCCC[NH2+]1)N1CCCNCC1 ZINC000035738386 342891277 /nfs/dbraw/zinc/89/12/77/342891277.db2.gz PAQZKTDJZLBHBG-SNVBAGLBSA-N 1 3 211.309 -0.050 20 0 BBADHO O=C([C@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000035738387 358948587 /nfs/dbraw/zinc/94/85/87/358948587.db2.gz SANACAWSRJNBMI-JTQLQIEISA-N 1 3 211.309 -0.192 20 0 BBADHO O=C([C@@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000035738388 358948769 /nfs/dbraw/zinc/94/87/69/358948769.db2.gz SANACAWSRJNBMI-SNVBAGLBSA-N 1 3 211.309 -0.192 20 0 BBADHO CNC(=O)NC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000036300350 173285930 /nfs/dbraw/zinc/28/59/30/173285930.db2.gz GGXHHNOKXVKHSV-UHFFFAOYSA-N 1 3 242.323 -0.484 20 0 BBADHO CNC(=O)NC(=O)CC[N@H+](C)C1CCNCC1 ZINC000036300350 173285929 /nfs/dbraw/zinc/28/59/29/173285929.db2.gz GGXHHNOKXVKHSV-UHFFFAOYSA-N 1 3 242.323 -0.484 20 0 BBADHO CNC(=O)NC(=O)CCN(C)C1CC[NH2+]CC1 ZINC000036300350 173285928 /nfs/dbraw/zinc/28/59/28/173285928.db2.gz GGXHHNOKXVKHSV-UHFFFAOYSA-N 1 3 242.323 -0.484 20 0 BBADHO C[N@@H+](CCC(=O)NC(N)=O)C1CCNCC1 ZINC000036300354 342809016 /nfs/dbraw/zinc/80/90/16/342809016.db2.gz PEPKZHVJKKDYPO-UHFFFAOYSA-N 1 3 228.296 -0.745 20 0 BBADHO C[N@H+](CCC(=O)NC(N)=O)C1CCNCC1 ZINC000036300354 342809015 /nfs/dbraw/zinc/80/90/15/342809015.db2.gz PEPKZHVJKKDYPO-UHFFFAOYSA-N 1 3 228.296 -0.745 20 0 BBADHO CN(CCC(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000036300354 342809014 /nfs/dbraw/zinc/80/90/14/342809014.db2.gz PEPKZHVJKKDYPO-UHFFFAOYSA-N 1 3 228.296 -0.745 20 0 BBADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000036907014 342994095 /nfs/dbraw/zinc/99/40/95/342994095.db2.gz GXIKQGHXZNNABY-VWYCJHECSA-N 1 3 241.335 -0.690 20 0 BBADHO [NH3+]C[C@@H]1CCN(CCCN2CCOCC2)C1 ZINC000036964092 387558686 /nfs/dbraw/zinc/55/86/86/387558686.db2.gz SNNAXVJAHFWIQO-LBPRGKRZSA-N 1 3 227.352 -0.011 20 0 BBADHO [NH3+]C[C@H]1CCN(CCCN2CCOCC2)C1 ZINC000036964093 385235361 /nfs/dbraw/zinc/23/53/61/385235361.db2.gz SNNAXVJAHFWIQO-GFCCVEGCSA-N 1 3 227.352 -0.011 20 0 BBADHO CNCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023873 173331851 /nfs/dbraw/zinc/33/18/51/173331851.db2.gz XJPRSTSLSDBNDD-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO CNCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023873 173331850 /nfs/dbraw/zinc/33/18/50/173331850.db2.gz XJPRSTSLSDBNDD-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO CNCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023875 173333100 /nfs/dbraw/zinc/33/31/00/173333100.db2.gz XJPRSTSLSDBNDD-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO CNCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023875 173333098 /nfs/dbraw/zinc/33/30/98/173333098.db2.gz XJPRSTSLSDBNDD-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO CN1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037267605 342926769 /nfs/dbraw/zinc/92/67/69/342926769.db2.gz CTKOQUCCGNCLFH-JTQLQIEISA-N 1 3 211.309 -0.051 20 0 BBADHO CN1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000037267606 342926836 /nfs/dbraw/zinc/92/68/36/342926836.db2.gz CTKOQUCCGNCLFH-SNVBAGLBSA-N 1 3 211.309 -0.051 20 0 BBADHO CN1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000037267875 172991117 /nfs/dbraw/zinc/99/11/17/172991117.db2.gz UISPCVUCGGDRGZ-UHFFFAOYSA-N 1 3 240.351 -0.898 20 0 BBADHO O=C(CC[NH2+]C1CC1)N1CCCNCC1 ZINC000037478339 358071748 /nfs/dbraw/zinc/07/17/48/358071748.db2.gz IZUHQESJAJDIOR-UHFFFAOYSA-N 1 3 211.309 -0.050 20 0 BBADHO O=C(C[NH2+]CC1CC1)N1CCCNCC1 ZINC000037478340 342937179 /nfs/dbraw/zinc/93/71/79/342937179.db2.gz LOELFDGBIDDPEH-UHFFFAOYSA-N 1 3 211.309 -0.192 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)CNC2CC2)C1 ZINC000037484926 358073218 /nfs/dbraw/zinc/07/32/18/358073218.db2.gz WDUMQEPJPSAGNG-SECBINFHSA-N 1 3 211.309 -0.194 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)CNC2CC2)C1 ZINC000037484926 358073216 /nfs/dbraw/zinc/07/32/16/358073216.db2.gz WDUMQEPJPSAGNG-SECBINFHSA-N 1 3 211.309 -0.194 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000037484927 358072533 /nfs/dbraw/zinc/07/25/33/358072533.db2.gz WDUMQEPJPSAGNG-VIFPVBQESA-N 1 3 211.309 -0.194 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000037484927 358072530 /nfs/dbraw/zinc/07/25/30/358072530.db2.gz WDUMQEPJPSAGNG-VIFPVBQESA-N 1 3 211.309 -0.194 20 0 BBADHO C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485359 342938011 /nfs/dbraw/zinc/93/80/11/342938011.db2.gz JRWVFUCAPOZWQX-IUCAKERBSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485359 342938010 /nfs/dbraw/zinc/93/80/10/342938010.db2.gz JRWVFUCAPOZWQX-IUCAKERBSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485360 342937944 /nfs/dbraw/zinc/93/79/44/342937944.db2.gz JRWVFUCAPOZWQX-BDAKNGLRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485360 342937943 /nfs/dbraw/zinc/93/79/43/342937943.db2.gz JRWVFUCAPOZWQX-BDAKNGLRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485361 342937992 /nfs/dbraw/zinc/93/79/92/342937992.db2.gz JRWVFUCAPOZWQX-DTWKUNHWSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485361 342937991 /nfs/dbraw/zinc/93/79/91/342937991.db2.gz JRWVFUCAPOZWQX-DTWKUNHWSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485362 342938036 /nfs/dbraw/zinc/93/80/36/342938036.db2.gz JRWVFUCAPOZWQX-RKDXNWHRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485362 342938035 /nfs/dbraw/zinc/93/80/35/342938035.db2.gz JRWVFUCAPOZWQX-RKDXNWHRSA-N 1 3 211.309 -0.066 20 0 BBADHO CNCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485365 173330618 /nfs/dbraw/zinc/33/06/18/173330618.db2.gz HKKSKAFVSCQWHI-VIFPVBQESA-N 1 3 211.309 -0.194 20 0 BBADHO CNCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485365 173330617 /nfs/dbraw/zinc/33/06/17/173330617.db2.gz HKKSKAFVSCQWHI-VIFPVBQESA-N 1 3 211.309 -0.194 20 0 BBADHO CNCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485366 173329898 /nfs/dbraw/zinc/32/98/98/173329898.db2.gz HKKSKAFVSCQWHI-SECBINFHSA-N 1 3 211.309 -0.194 20 0 BBADHO CNCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485366 173329896 /nfs/dbraw/zinc/32/98/96/173329896.db2.gz HKKSKAFVSCQWHI-SECBINFHSA-N 1 3 211.309 -0.194 20 0 BBADHO O=C(CN1CC[NH2+]CC1)NCCN1CCCC1 ZINC000037631220 398333322 /nfs/dbraw/zinc/33/33/22/398333322.db2.gz BHHPOXROXVQFFY-UHFFFAOYSA-N 1 3 240.351 -0.896 20 0 BBADHO CC(C)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000037632041 358084839 /nfs/dbraw/zinc/08/48/39/358084839.db2.gz MYPKPWNATWLNFM-UHFFFAOYSA-N 1 3 240.395 -0.082 20 0 BBADHO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000037812633 344590966 /nfs/dbraw/zinc/59/09/66/344590966.db2.gz RCZFMOCBPZKDKE-VWYCJHECSA-N 1 3 239.319 -0.984 20 0 BBADHO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000037812634 344590640 /nfs/dbraw/zinc/59/06/40/344590640.db2.gz RCZFMOCBPZKDKE-DCAQKATOSA-N 1 3 239.319 -0.984 20 0 BBADHO CC[C@@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000037859701 370916927 /nfs/dbraw/zinc/91/69/27/370916927.db2.gz NKQMYKBQVJASKU-QWRGUYRKSA-N 1 3 216.325 -0.196 20 0 BBADHO CC[C@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000037859702 370914558 /nfs/dbraw/zinc/91/45/58/370914558.db2.gz NKQMYKBQVJASKU-MNOVXSKESA-N 1 3 216.325 -0.196 20 0 BBADHO CC[C@@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000037859703 370914839 /nfs/dbraw/zinc/91/48/39/370914839.db2.gz NKQMYKBQVJASKU-WDEREUQCSA-N 1 3 216.325 -0.196 20 0 BBADHO CC[C@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000037859704 370914908 /nfs/dbraw/zinc/91/49/08/370914908.db2.gz NKQMYKBQVJASKU-GHMZBOCLSA-N 1 3 216.325 -0.196 20 0 BBADHO CN(C)C[C@@H](O)C[NH2+]C1CCN(C)CC1 ZINC000037887412 385322045 /nfs/dbraw/zinc/32/20/45/385322045.db2.gz JFPISVANWBGKRW-NSHDSACASA-N 1 3 215.341 -0.407 20 0 BBADHO CN(C)C[C@H](O)C[NH2+]C1CCN(C)CC1 ZINC000037887413 384624525 /nfs/dbraw/zinc/62/45/25/384624525.db2.gz JFPISVANWBGKRW-LLVKDONJSA-N 1 3 215.341 -0.407 20 0 BBADHO NC(=O)CCNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904968 343002436 /nfs/dbraw/zinc/00/24/36/343002436.db2.gz AVJXOACIQBPOOW-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO NC(=O)CCNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904968 343002434 /nfs/dbraw/zinc/00/24/34/343002434.db2.gz AVJXOACIQBPOOW-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO NC(=O)CC[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037904968 343002432 /nfs/dbraw/zinc/00/24/32/343002432.db2.gz AVJXOACIQBPOOW-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO NC(=O)CCNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904969 358097562 /nfs/dbraw/zinc/09/75/62/358097562.db2.gz AVJXOACIQBPOOW-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO NC(=O)CCNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904969 358097560 /nfs/dbraw/zinc/09/75/60/358097560.db2.gz AVJXOACIQBPOOW-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO NC(=O)CC[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037904969 358097558 /nfs/dbraw/zinc/09/75/58/358097558.db2.gz AVJXOACIQBPOOW-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO O[C@H](C[NH2+]C[C@@H]1COCCO1)CN1CCCC1 ZINC000038061512 183224361 /nfs/dbraw/zinc/22/43/61/183224361.db2.gz FTGXBCGUQNYHSV-VXGBXAGGSA-N 1 3 244.335 -0.552 20 0 BBADHO O[C@@H](C[NH2+]C[C@@H]1COCCO1)CN1CCCC1 ZINC000038061513 183178936 /nfs/dbraw/zinc/17/89/36/183178936.db2.gz FTGXBCGUQNYHSV-NWDGAFQWSA-N 1 3 244.335 -0.552 20 0 BBADHO O[C@H](C[NH2+]C[C@H]1COCCO1)CN1CCCC1 ZINC000038061514 183224515 /nfs/dbraw/zinc/22/45/15/183224515.db2.gz FTGXBCGUQNYHSV-NEPJUHHUSA-N 1 3 244.335 -0.552 20 0 BBADHO O[C@@H](C[NH2+]C[C@H]1COCCO1)CN1CCCC1 ZINC000038061515 183179744 /nfs/dbraw/zinc/17/97/44/183179744.db2.gz FTGXBCGUQNYHSV-RYUDHWBXSA-N 1 3 244.335 -0.552 20 0 BBADHO CN(C)CCNC(=O)NCC[NH+](C)C ZINC000039259477 384910147 /nfs/dbraw/zinc/91/01/47/384910147.db2.gz BRLHUTYQAUOXSB-UHFFFAOYSA-N 1 3 202.302 -0.591 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN(C)C)C1 ZINC000040629510 344129252 /nfs/dbraw/zinc/12/92/52/344129252.db2.gz MUUUKHGNEUACAL-DTWKUNHWSA-N 1 3 215.297 -0.959 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCCNCC2)C1 ZINC000040631933 358244636 /nfs/dbraw/zinc/24/46/36/358244636.db2.gz BGOKSZBXLFEVGK-VHSXEESVSA-N 1 3 227.308 -0.815 20 0 BBADHO CN1CCC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000040673687 410885003 /nfs/dbraw/zinc/88/50/03/410885003.db2.gz ZUZVLBZMZPWEKG-NSHDSACASA-N 1 3 240.351 -0.898 20 0 BBADHO CN1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000040673688 410886641 /nfs/dbraw/zinc/88/66/41/410886641.db2.gz ZUZVLBZMZPWEKG-LLVKDONJSA-N 1 3 240.351 -0.898 20 0 BBADHO CC(C)[C@@H](CNC(=O)C[NH3+])N1CCN(C)CC1 ZINC000040770516 641537044 /nfs/dbraw/zinc/53/70/44/641537044.db2.gz FPIRHWUVSPWKKU-LLVKDONJSA-N 1 3 242.367 -0.667 20 0 BBADHO CC(C)[C@H](CNC(=O)C[NH3+])N1CCN(C)CC1 ZINC000040770518 641537600 /nfs/dbraw/zinc/53/76/00/641537600.db2.gz FPIRHWUVSPWKKU-NSHDSACASA-N 1 3 242.367 -0.667 20 0 BBADHO CC[C@H]([NH3+])C(=O)NCCCN1CCN(C)CC1 ZINC000040808844 384166477 /nfs/dbraw/zinc/16/64/77/384166477.db2.gz BNSPDROBNZADAF-NSHDSACASA-N 1 3 242.367 -0.523 20 0 BBADHO CC[C@@H]([NH3+])C(=O)NCCCN1CCN(C)CC1 ZINC000040808846 387584701 /nfs/dbraw/zinc/58/47/01/387584701.db2.gz BNSPDROBNZADAF-LLVKDONJSA-N 1 3 242.367 -0.523 20 0 BBADHO N[C@@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000040832316 181394378 /nfs/dbraw/zinc/39/43/78/181394378.db2.gz PTPSVHSULTZTGA-JTQLQIEISA-N 1 3 207.277 -0.369 20 0 BBADHO N[C@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000040832317 181395768 /nfs/dbraw/zinc/39/57/68/181395768.db2.gz PTPSVHSULTZTGA-SNVBAGLBSA-N 1 3 207.277 -0.369 20 0 BBADHO C[NH+](C)CCCCNC(=O)CN1CCNCC1 ZINC000041679586 410933371 /nfs/dbraw/zinc/93/33/71/410933371.db2.gz ZWXOKXJFNHFKHG-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO CCCN(CCN(C)C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000041680297 358333855 /nfs/dbraw/zinc/33/38/55/358333855.db2.gz LCUJBYDLEBADQZ-WDEREUQCSA-N 1 3 243.351 -0.491 20 0 BBADHO O=C(C[C@H]1CCC[NH2+]1)N1CCCNCC1 ZINC000042166112 182026909 /nfs/dbraw/zinc/02/69/09/182026909.db2.gz CTAGCRGQHQQBQI-SNVBAGLBSA-N 1 3 211.309 -0.050 20 0 BBADHO O=C(C[C@@H]1CCC[NH2+]1)N1CCCNCC1 ZINC000042166113 182017452 /nfs/dbraw/zinc/01/74/52/182017452.db2.gz CTAGCRGQHQQBQI-JTQLQIEISA-N 1 3 211.309 -0.050 20 0 BBADHO COCCN(CCOC)CCN1CC[NH2+]CC1 ZINC000042308042 174295992 /nfs/dbraw/zinc/29/59/92/174295992.db2.gz FCTWYOZSFGXKKE-UHFFFAOYSA-N 1 3 245.367 -0.514 20 0 BBADHO COCCN(C)CCN1CC[NH2+]CC1 ZINC000042308552 358346786 /nfs/dbraw/zinc/34/67/86/358346786.db2.gz QTRCCMHFYXZWGJ-UHFFFAOYSA-N 1 3 201.314 -0.530 20 0 BBADHO COC[C@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000042319044 487729125 /nfs/dbraw/zinc/72/91/25/487729125.db2.gz KEWNESYNXSLPBG-NSHDSACASA-N 1 3 215.341 -0.142 20 0 BBADHO COC[C@@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000042319048 487729306 /nfs/dbraw/zinc/72/93/06/487729306.db2.gz KEWNESYNXSLPBG-LLVKDONJSA-N 1 3 215.341 -0.142 20 0 BBADHO C[C@@H](Cn1cccn1)NC[C@H](O)C[NH+](C)C ZINC000042539759 358525862 /nfs/dbraw/zinc/52/58/62/358525862.db2.gz VGYICQBLMYJEMU-QWRGUYRKSA-N 1 3 226.324 -0.216 20 0 BBADHO C[C@H](Cn1cccn1)NC[C@H](O)C[NH+](C)C ZINC000042539762 358525464 /nfs/dbraw/zinc/52/54/64/358525464.db2.gz VGYICQBLMYJEMU-MNOVXSKESA-N 1 3 226.324 -0.216 20 0 BBADHO C[C@@H](Cn1cccn1)NC[C@@H](O)C[NH+](C)C ZINC000042539765 358525961 /nfs/dbraw/zinc/52/59/61/358525961.db2.gz VGYICQBLMYJEMU-WDEREUQCSA-N 1 3 226.324 -0.216 20 0 BBADHO C[C@H](Cn1cccn1)NC[C@@H](O)C[NH+](C)C ZINC000042539768 358526062 /nfs/dbraw/zinc/52/60/62/358526062.db2.gz VGYICQBLMYJEMU-GHMZBOCLSA-N 1 3 226.324 -0.216 20 0 BBADHO O[C@@H](C[NH2+]CCn1ccnc1)CN1CCCC1 ZINC000042541299 362008260 /nfs/dbraw/zinc/00/82/60/362008260.db2.gz JLJGURNTHYEAII-LBPRGKRZSA-N 1 3 238.335 -0.071 20 0 BBADHO O[C@@H](CNCCn1ccnc1)C[NH+]1CCCC1 ZINC000042541299 362008257 /nfs/dbraw/zinc/00/82/57/362008257.db2.gz JLJGURNTHYEAII-LBPRGKRZSA-N 1 3 238.335 -0.071 20 0 BBADHO O[C@H](C[NH2+]CCn1ccnc1)CN1CCCC1 ZINC000042541302 183223914 /nfs/dbraw/zinc/22/39/14/183223914.db2.gz JLJGURNTHYEAII-GFCCVEGCSA-N 1 3 238.335 -0.071 20 0 BBADHO O[C@H](CNCCn1ccnc1)C[NH+]1CCCC1 ZINC000042541302 183223911 /nfs/dbraw/zinc/22/39/11/183223911.db2.gz JLJGURNTHYEAII-GFCCVEGCSA-N 1 3 238.335 -0.071 20 0 BBADHO C[NH2+]CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000043605139 173339644 /nfs/dbraw/zinc/33/96/44/173339644.db2.gz NDQPEQJKEGAZFV-SNVBAGLBSA-N 1 3 211.309 -0.098 20 0 BBADHO C[NH2+]CCC(=O)N1CCN2CCC[C@H]2C1 ZINC000043605140 173339459 /nfs/dbraw/zinc/33/94/59/173339459.db2.gz NDQPEQJKEGAZFV-JTQLQIEISA-N 1 3 211.309 -0.098 20 0 BBADHO C[C@@H](CNC[C@H](O)C[NH+]1CCCC1)N(C)C ZINC000044317063 345022321 /nfs/dbraw/zinc/02/23/21/345022321.db2.gz RRHDGAFVRFEYRS-RYUDHWBXSA-N 1 3 229.368 -0.017 20 0 BBADHO C[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)N(C)C ZINC000044317065 345022339 /nfs/dbraw/zinc/02/23/39/345022339.db2.gz RRHDGAFVRFEYRS-NWDGAFQWSA-N 1 3 229.368 -0.017 20 0 BBADHO [NH3+]CC1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000044513545 181365108 /nfs/dbraw/zinc/36/51/08/181365108.db2.gz AETAZNIYKGSKKU-UHFFFAOYSA-N 1 3 239.319 -0.194 20 0 BBADHO C[C@@H](C(=O)NC(N)=O)N1CCC(C[NH3+])CC1 ZINC000044514402 352653850 /nfs/dbraw/zinc/65/38/50/352653850.db2.gz OJMFBJOSKPETCC-ZETCQYMHSA-N 1 3 228.296 -0.760 20 0 BBADHO C[C@H](C(=O)NC(N)=O)N1CCC(C[NH3+])CC1 ZINC000044514404 176567928 /nfs/dbraw/zinc/56/79/28/176567928.db2.gz OJMFBJOSKPETCC-SSDOTTSWSA-N 1 3 228.296 -0.760 20 0 BBADHO CNC(=O)NC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000044529804 173286228 /nfs/dbraw/zinc/28/62/28/173286228.db2.gz OWPGEZADSKJMRN-SECBINFHSA-N 1 3 242.323 -0.497 20 0 BBADHO CNC(=O)NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000044529806 173286362 /nfs/dbraw/zinc/28/63/62/173286362.db2.gz OWPGEZADSKJMRN-VIFPVBQESA-N 1 3 242.323 -0.497 20 0 BBADHO NC(=O)NC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000044529816 386723994 /nfs/dbraw/zinc/72/39/94/386723994.db2.gz JZDQINFFJZIMQJ-MRVPVSSYSA-N 1 3 228.296 -0.758 20 0 BBADHO NC(=O)NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000044529818 386723041 /nfs/dbraw/zinc/72/30/41/386723041.db2.gz JZDQINFFJZIMQJ-QMMMGPOBSA-N 1 3 228.296 -0.758 20 0 BBADHO CC[NH2+]CC(=O)NCCCN1CCN(C)CC1 ZINC000044651261 640447964 /nfs/dbraw/zinc/44/79/64/640447964.db2.gz MTGAABNRTNLATG-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO COCCOCCN1CC[C@H](C[NH3+])C1 ZINC000044725593 174355639 /nfs/dbraw/zinc/35/56/39/174355639.db2.gz XFIAQHKLAVNLSX-SNVBAGLBSA-N 1 3 202.298 -0.070 20 0 BBADHO COCCOCCN1CC[C@@H](C[NH3+])C1 ZINC000044725594 174355265 /nfs/dbraw/zinc/35/52/65/174355265.db2.gz XFIAQHKLAVNLSX-JTQLQIEISA-N 1 3 202.298 -0.070 20 0 BBADHO C[NH2+]CCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726713 173341366 /nfs/dbraw/zinc/34/13/66/173341366.db2.gz GLUJJOXOWBBKGZ-SECBINFHSA-N 1 3 211.309 -0.051 20 0 BBADHO C[NH2+]CCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726714 173341477 /nfs/dbraw/zinc/34/14/77/173341477.db2.gz GLUJJOXOWBBKGZ-VIFPVBQESA-N 1 3 211.309 -0.051 20 0 BBADHO CC(C)[C@@H](C[NH3+])C(=O)NCCN(C)C ZINC000044795920 167394808 /nfs/dbraw/zinc/39/48/08/167394808.db2.gz RTILZHWTJMYGLG-SECBINFHSA-N 1 3 201.314 -0.105 20 0 BBADHO CC(C)[C@H](C[NH3+])C(=O)NCCN(C)C ZINC000044795923 344547985 /nfs/dbraw/zinc/54/79/85/344547985.db2.gz RTILZHWTJMYGLG-VIFPVBQESA-N 1 3 201.314 -0.105 20 0 BBADHO C[C@@H](C[NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044808508 344548629 /nfs/dbraw/zinc/54/86/29/344548629.db2.gz ASLXGTJZILVGPC-DTWKUNHWSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](C[NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044808509 344549102 /nfs/dbraw/zinc/54/91/02/344549102.db2.gz ASLXGTJZILVGPC-RKDXNWHRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](C[NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044808510 344549087 /nfs/dbraw/zinc/54/90/87/344549087.db2.gz ASLXGTJZILVGPC-IUCAKERBSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](C[NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044808511 344549200 /nfs/dbraw/zinc/54/92/00/344549200.db2.gz ASLXGTJZILVGPC-BDAKNGLRSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C)C(=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000044992174 411142942 /nfs/dbraw/zinc/14/29/42/411142942.db2.gz DNWSBPCHJXUCLG-NSHDSACASA-N 1 3 243.351 -0.489 20 0 BBADHO CN(C)C(=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000044992176 411142966 /nfs/dbraw/zinc/14/29/66/411142966.db2.gz DNWSBPCHJXUCLG-LLVKDONJSA-N 1 3 243.351 -0.489 20 0 BBADHO C[C@@H](CN1CCOCC1)N1CC[C@H](C[NH3+])C1 ZINC000049509032 411240191 /nfs/dbraw/zinc/24/01/91/411240191.db2.gz DYWRDUYWKOQZLU-NWDGAFQWSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@H](CN1CCOCC1)N1CC[C@H](C[NH3+])C1 ZINC000049509034 411241046 /nfs/dbraw/zinc/24/10/46/411241046.db2.gz DYWRDUYWKOQZLU-VXGBXAGGSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)CN1CCNCC1 ZINC000049559694 411240013 /nfs/dbraw/zinc/24/00/13/411240013.db2.gz OWTCYWMMYRGXAF-NSHDSACASA-N 1 3 242.367 -0.652 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)CN1CCNCC1 ZINC000049559695 411239740 /nfs/dbraw/zinc/23/97/40/411239740.db2.gz OWTCYWMMYRGXAF-LLVKDONJSA-N 1 3 242.367 -0.652 20 0 BBADHO CNC(=O)NC(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000050247740 173286108 /nfs/dbraw/zinc/28/61/08/173286108.db2.gz UMAKDFKRKJXZNJ-MRVPVSSYSA-N 1 3 228.296 -0.887 20 0 BBADHO CNC(=O)NC(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000050247741 173286691 /nfs/dbraw/zinc/28/66/91/173286691.db2.gz UMAKDFKRKJXZNJ-QMMMGPOBSA-N 1 3 228.296 -0.887 20 0 BBADHO CN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1CCN(C)CC1 ZINC000050456449 387793816 /nfs/dbraw/zinc/79/38/16/387793816.db2.gz WHVRMVYJVIAZGZ-ZJUUUORDSA-N 1 3 211.309 -0.114 20 0 BBADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050456719 343022052 /nfs/dbraw/zinc/02/20/52/343022052.db2.gz GLXAUUMUJCZXLF-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050456721 350342311 /nfs/dbraw/zinc/34/23/11/350342311.db2.gz GLXAUUMUJCZXLF-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000050459109 384049425 /nfs/dbraw/zinc/04/94/25/384049425.db2.gz GFTVUTZMIHRRND-ZJUUUORDSA-N 1 3 211.309 -0.114 20 0 BBADHO CCN1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050464212 358730267 /nfs/dbraw/zinc/73/02/67/358730267.db2.gz GALFRHMAASWAHO-ZJUUUORDSA-N 1 3 211.309 -0.066 20 0 BBADHO CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050464445 343022745 /nfs/dbraw/zinc/02/27/45/343022745.db2.gz MFBKBKLOIFNRQZ-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050464447 350343655 /nfs/dbraw/zinc/34/36/55/350343655.db2.gz MFBKBKLOIFNRQZ-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCCN1CCCCC1 ZINC000050465115 343022774 /nfs/dbraw/zinc/02/27/74/343022774.db2.gz FTYBCXFZJJDAFV-VHSXEESVSA-N 1 3 211.309 -0.064 20 0 BBADHO COC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000051284375 631426315 /nfs/dbraw/zinc/42/63/15/631426315.db2.gz YKJJTZWXXLMKDE-VIFPVBQESA-N 1 3 204.314 -0.090 20 0 BBADHO COC[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000051284377 632487458 /nfs/dbraw/zinc/48/74/58/632487458.db2.gz YKJJTZWXXLMKDE-SECBINFHSA-N 1 3 204.314 -0.090 20 0 BBADHO [NH3+]C1CCC(NC(=O)CN2CCNCC2)CC1 ZINC000051694852 411281490 /nfs/dbraw/zinc/28/14/90/411281490.db2.gz CVENORXGDGYGMS-UHFFFAOYSA-N 1 3 240.351 -0.722 20 0 BBADHO CC[NH+](CC)CCNC(=O)[C@H](N)CCOC ZINC000052790687 632489023 /nfs/dbraw/zinc/48/90/23/632489023.db2.gz LYLRVHFUGPKULI-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CCOC ZINC000052790688 632489631 /nfs/dbraw/zinc/48/96/31/632489631.db2.gz LYLRVHFUGPKULI-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO COCC[C@H](N)C(=O)NCC[NH+]1CCCC1 ZINC000052791425 632491270 /nfs/dbraw/zinc/49/12/70/632491270.db2.gz KLJIONJLTNZTEP-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO COCC[C@@H](N)C(=O)NCC[NH+]1CCCC1 ZINC000052791426 632492062 /nfs/dbraw/zinc/49/20/62/632492062.db2.gz KLJIONJLTNZTEP-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO COCC[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000052809675 632497662 /nfs/dbraw/zinc/49/76/62/632497662.db2.gz XZULUHGMLGNCNY-SECBINFHSA-N 1 3 231.340 -0.193 20 0 BBADHO COCC[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000052809676 632497024 /nfs/dbraw/zinc/49/70/24/632497024.db2.gz XZULUHGMLGNCNY-VIFPVBQESA-N 1 3 231.340 -0.193 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000052810152 632498519 /nfs/dbraw/zinc/49/85/19/632498519.db2.gz VFRVZKFTAHGKFB-VHSXEESVSA-N 1 3 231.340 -0.193 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000052810153 632497727 /nfs/dbraw/zinc/49/77/27/632497727.db2.gz VFRVZKFTAHGKFB-NXEZZACHSA-N 1 3 231.340 -0.193 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000052810154 632497719 /nfs/dbraw/zinc/49/77/19/632497719.db2.gz VFRVZKFTAHGKFB-UWVGGRQHSA-N 1 3 231.340 -0.193 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000052810155 632498913 /nfs/dbraw/zinc/49/89/13/632498913.db2.gz VFRVZKFTAHGKFB-ZJUUUORDSA-N 1 3 231.340 -0.193 20 0 BBADHO COCC[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000052810160 632498591 /nfs/dbraw/zinc/49/85/91/632498591.db2.gz CSULRHYLCSFRIA-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO COCC[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000052810161 632497787 /nfs/dbraw/zinc/49/77/87/632497787.db2.gz CSULRHYLCSFRIA-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO O=C(CCN1CCC[NH2+]CC1)N1CCNCC1 ZINC000053299073 385638145 /nfs/dbraw/zinc/63/81/45/385638145.db2.gz MBBZZUCKPQEWSX-UHFFFAOYSA-N 1 3 240.351 -0.896 20 0 BBADHO CCN(C)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000054128920 386110252 /nfs/dbraw/zinc/11/02/52/386110252.db2.gz JQISSJCMDKQAGO-UHFFFAOYSA-N 1 3 243.351 -0.190 20 0 BBADHO CCN(C)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000054132926 358854605 /nfs/dbraw/zinc/85/46/05/358854605.db2.gz TUAYFZCYQFSKQU-VHSXEESVSA-N 1 3 229.324 -0.569 20 0 BBADHO C[C@@H](C[NH3+])C(=O)N1CCN2CCC[C@@H]2C1 ZINC000054341249 385570357 /nfs/dbraw/zinc/57/03/57/385570357.db2.gz DWIOXRBYDCNLBK-VHSXEESVSA-N 1 3 211.309 -0.112 20 0 BBADHO C[C@H](C[NH3+])C(=O)N1CCN2CCC[C@@H]2C1 ZINC000054341251 385570112 /nfs/dbraw/zinc/57/01/12/385570112.db2.gz DWIOXRBYDCNLBK-NXEZZACHSA-N 1 3 211.309 -0.112 20 0 BBADHO CN(CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000059931375 386487505 /nfs/dbraw/zinc/48/75/05/386487505.db2.gz VLTJZGXVOPPDHL-JTQLQIEISA-N 1 3 211.309 -0.051 20 0 BBADHO CN(CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000059931379 386487475 /nfs/dbraw/zinc/48/74/75/386487475.db2.gz VLTJZGXVOPPDHL-SNVBAGLBSA-N 1 3 211.309 -0.051 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000061374603 343725024 /nfs/dbraw/zinc/72/50/24/343725024.db2.gz LDYNYZFSCYYMHN-BDAKNGLRSA-N 1 3 215.297 -0.972 20 0 BBADHO COCCN(C)CCNC(=O)CC[NH3+] ZINC000061379859 174276968 /nfs/dbraw/zinc/27/69/68/174276968.db2.gz SGALAMZSZUJDOY-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO COCCN(C)CCNC(=O)C(C)(C)C[NH3+] ZINC000061379869 358933021 /nfs/dbraw/zinc/93/30/21/358933021.db2.gz LVNGBIRAMKHRQL-UHFFFAOYSA-N 1 3 231.340 -0.334 20 0 BBADHO COCCN(C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000061379887 174277715 /nfs/dbraw/zinc/27/77/15/174277715.db2.gz MDCYBOGJAZFSKL-LLVKDONJSA-N 1 3 245.367 -0.088 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000061379890 174277977 /nfs/dbraw/zinc/27/79/77/174277977.db2.gz MDCYBOGJAZFSKL-NSHDSACASA-N 1 3 245.367 -0.088 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000061379898 174277993 /nfs/dbraw/zinc/27/79/93/174277993.db2.gz QBXGKVZQBSSDHL-VIFPVBQESA-N 1 3 217.313 -0.724 20 0 BBADHO COCCN(C)CCNC(=O)[C@H](C)C[NH3+] ZINC000061379901 174277769 /nfs/dbraw/zinc/27/77/69/174277769.db2.gz QBXGKVZQBSSDHL-SECBINFHSA-N 1 3 217.313 -0.724 20 0 BBADHO COCCN(C)CCNC(=O)C(C)(C)[NH3+] ZINC000061380437 174276000 /nfs/dbraw/zinc/27/60/00/174276000.db2.gz IDMUASXLDFFQAN-UHFFFAOYSA-N 1 3 217.313 -0.582 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000061380448 174277820 /nfs/dbraw/zinc/27/78/20/174277820.db2.gz GRPWEEGSYKWJSE-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO COCCN(C)CCNC(=O)[C@H](C)[NH3+] ZINC000061380467 174278034 /nfs/dbraw/zinc/27/80/34/174278034.db2.gz VKYDHRNQKJMNPD-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000061380474 174277589 /nfs/dbraw/zinc/27/75/89/174277589.db2.gz DPWUZEKOFMUZMJ-JTQLQIEISA-N 1 3 231.340 -0.336 20 0 BBADHO COCCN(C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000061380478 174276842 /nfs/dbraw/zinc/27/68/42/174276842.db2.gz LJEPGPCWHQGLLU-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO COCCN(C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000061380481 174277884 /nfs/dbraw/zinc/27/78/84/174277884.db2.gz LJEPGPCWHQGLLU-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH2+]CCC(=O)NCCN(C)CCOC ZINC000061380485 173340080 /nfs/dbraw/zinc/34/00/80/173340080.db2.gz AHCZRHHYYNHZHS-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H](C)[NH3+] ZINC000061380487 134393279 /nfs/dbraw/zinc/39/32/79/134393279.db2.gz VKYDHRNQKJMNPD-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000061380527 174277596 /nfs/dbraw/zinc/27/75/96/174277596.db2.gz GRPWEEGSYKWJSE-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO COCCN(C)CCNC(=O)C1CC[NH2+]CC1 ZINC000061380530 174276332 /nfs/dbraw/zinc/27/63/32/174276332.db2.gz CDVGRNSSKMMIMS-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000061380533 174277095 /nfs/dbraw/zinc/27/70/95/174277095.db2.gz MWCCDXSYCFLOFM-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000061380535 174277323 /nfs/dbraw/zinc/27/73/23/174277323.db2.gz MWCCDXSYCFLOFM-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000061380538 174277974 /nfs/dbraw/zinc/27/79/74/174277974.db2.gz OFUVKZSDGQEKAB-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCN(C)CCNC(=O)C[NH2+]CC1CC1 ZINC000061380543 174276547 /nfs/dbraw/zinc/27/65/47/174276547.db2.gz JZKORGXHXPDTNR-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000061380546 358933179 /nfs/dbraw/zinc/93/31/79/358933179.db2.gz DPWUZEKOFMUZMJ-SNVBAGLBSA-N 1 3 231.340 -0.336 20 0 BBADHO COCCN(C)CCNC(=O)CCC[NH3+] ZINC000061380606 174277662 /nfs/dbraw/zinc/27/76/62/174277662.db2.gz RBKSJTQFFJAMPQ-UHFFFAOYSA-N 1 3 217.313 -0.580 20 0 BBADHO COCCN(C)CCNC(=O)C1([NH3+])CCCC1 ZINC000061380645 174275974 /nfs/dbraw/zinc/27/59/74/174275974.db2.gz GAFUBMSTKASRGL-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO COCCN(C)CCNC(=O)CC[NH2+]C1CC1 ZINC000061380652 349367581 /nfs/dbraw/zinc/36/75/81/349367581.db2.gz FEFKWEFUGYEQJO-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO CC[C@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380698 134393530 /nfs/dbraw/zinc/39/35/30/134393530.db2.gz YXBQNZANZGKVOA-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO CC[C@@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380702 488092701 /nfs/dbraw/zinc/09/27/01/488092701.db2.gz YXBQNZANZGKVOA-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO COCCN(C)CCNC(=O)C[NH2+]C(C)C ZINC000061380708 487473827 /nfs/dbraw/zinc/47/38/27/487473827.db2.gz JETLMRUGNOZNDU-UHFFFAOYSA-N 1 3 231.340 -0.321 20 0 BBADHO COCCN(C)CCNC(=O)C[NH2+]C1CC1 ZINC000061380710 411157830 /nfs/dbraw/zinc/15/78/30/411157830.db2.gz RFRZUQOSHKELHH-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CCCC(=O)NCCN(C)CCOC ZINC000061380715 173343611 /nfs/dbraw/zinc/34/36/11/173343611.db2.gz XHSZLPDCVIMULD-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO COCCN(C)CCNC(=O)C[C@H](C)[NH3+] ZINC000061380717 488092871 /nfs/dbraw/zinc/09/28/71/488092871.db2.gz ISPSYDLGYLFJDC-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO COCCN(C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000061380719 488092858 /nfs/dbraw/zinc/09/28/58/488092858.db2.gz ISPSYDLGYLFJDC-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO C[NH2+][C@@H](C)C(=O)NCCN(C)CCOC ZINC000061380745 384756445 /nfs/dbraw/zinc/75/64/45/384756445.db2.gz JNNQUGPUTNWBDV-VIFPVBQESA-N 1 3 217.313 -0.711 20 0 BBADHO NC[C@@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000061612670 349375822 /nfs/dbraw/zinc/37/58/22/349375822.db2.gz QNHXASIWBUQJTH-SNVBAGLBSA-N 1 3 207.277 -0.196 20 0 BBADHO NC[C@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000061612672 350518001 /nfs/dbraw/zinc/51/80/01/350518001.db2.gz QNHXASIWBUQJTH-JTQLQIEISA-N 1 3 207.277 -0.196 20 0 BBADHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000061641726 343727277 /nfs/dbraw/zinc/72/72/77/343727277.db2.gz SGAPRRGKXXGVEB-AEJSXWLSSA-N 1 3 211.309 -0.114 20 0 BBADHO CN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000061641727 368566576 /nfs/dbraw/zinc/56/65/76/368566576.db2.gz SGAPRRGKXXGVEB-BBBLOLIVSA-N 1 3 211.309 -0.114 20 0 BBADHO COCC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644830 641187353 /nfs/dbraw/zinc/18/73/53/641187353.db2.gz NLOXTPBFEMFQTO-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO COCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644831 640981883 /nfs/dbraw/zinc/98/18/83/640981883.db2.gz NLOXTPBFEMFQTO-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644832 640981535 /nfs/dbraw/zinc/98/15/35/640981535.db2.gz NLOXTPBFEMFQTO-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644833 640982410 /nfs/dbraw/zinc/98/24/10/640982410.db2.gz NLOXTPBFEMFQTO-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO C(CN1CCCOCC1)N1CC[NH2+]CC1 ZINC000061918684 191000877 /nfs/dbraw/zinc/00/08/77/191000877.db2.gz UQYXXHWZKMNWKE-UHFFFAOYSA-N 1 3 213.325 -0.386 20 0 BBADHO COCC[C@@H](N)C(=O)NCC[N@@H+](C)C1CC1 ZINC000062010146 641014612 /nfs/dbraw/zinc/01/46/12/641014612.db2.gz XSPWJCCKYMEXFT-SNVBAGLBSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@@H](N)C(=O)NCC[N@H+](C)C1CC1 ZINC000062010146 641014608 /nfs/dbraw/zinc/01/46/08/641014608.db2.gz XSPWJCCKYMEXFT-SNVBAGLBSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H](N)C(=O)NCC[N@@H+](C)C1CC1 ZINC000062010147 641015557 /nfs/dbraw/zinc/01/55/57/641015557.db2.gz XSPWJCCKYMEXFT-JTQLQIEISA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H](N)C(=O)NCC[N@H+](C)C1CC1 ZINC000062010147 641015553 /nfs/dbraw/zinc/01/55/53/641015553.db2.gz XSPWJCCKYMEXFT-JTQLQIEISA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN(C)C2CC2)C1 ZINC000062010152 536740613 /nfs/dbraw/zinc/74/06/13/536740613.db2.gz BHFFDEHZZMESLJ-WDEREUQCSA-N 1 3 241.335 -0.426 20 0 BBADHO CN(CCNC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000062010190 411277783 /nfs/dbraw/zinc/27/77/83/411277783.db2.gz OZEFKSALLGREHE-UHFFFAOYSA-N 1 3 240.351 -0.898 20 0 BBADHO CN1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062112761 386566773 /nfs/dbraw/zinc/56/67/73/386566773.db2.gz NGXLMEJATXTAEE-SECBINFHSA-N 1 3 211.309 -0.194 20 0 BBADHO CN1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112762 386566692 /nfs/dbraw/zinc/56/66/92/386566692.db2.gz NGXLMEJATXTAEE-VIFPVBQESA-N 1 3 211.309 -0.194 20 0 BBADHO O=C(NCCN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000062112820 182184302 /nfs/dbraw/zinc/18/43/02/182184302.db2.gz OMZSMIBIISUCSD-JTQLQIEISA-N 1 3 211.309 -0.192 20 0 BBADHO O=C([C@@H]1CC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000062114959 386502214 /nfs/dbraw/zinc/50/22/14/386502214.db2.gz ZQMWCKOJXCZEGG-GHMZBOCLSA-N 1 3 223.320 -0.098 20 0 BBADHO O=C([C@@H]1CC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000062114960 386502119 /nfs/dbraw/zinc/50/21/19/386502119.db2.gz ZQMWCKOJXCZEGG-MNOVXSKESA-N 1 3 223.320 -0.098 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116962 174276905 /nfs/dbraw/zinc/27/69/05/174276905.db2.gz XSEZZQXJHSMZJM-SNVBAGLBSA-N 1 3 229.324 -0.710 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062116963 174277683 /nfs/dbraw/zinc/27/76/83/174277683.db2.gz XSEZZQXJHSMZJM-JTQLQIEISA-N 1 3 229.324 -0.710 20 0 BBADHO CN(CCNC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000062117022 386568886 /nfs/dbraw/zinc/56/88/86/386568886.db2.gz DIRKSHUTDDFPLD-SECBINFHSA-N 1 3 211.309 -0.194 20 0 BBADHO CN(CCNC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000062117023 386568230 /nfs/dbraw/zinc/56/82/30/386568230.db2.gz DIRKSHUTDDFPLD-VIFPVBQESA-N 1 3 211.309 -0.194 20 0 BBADHO C[C@]1(C(=O)N2CCCNCC2)CC[NH2+]C1 ZINC000062890756 384898731 /nfs/dbraw/zinc/89/87/31/384898731.db2.gz XFWQALLVTJYFAC-NSHDSACASA-N 1 3 211.309 -0.192 20 0 BBADHO C[C@@]1(C(=O)N2CCCNCC2)CC[NH2+]C1 ZINC000062890757 384898475 /nfs/dbraw/zinc/89/84/75/384898475.db2.gz XFWQALLVTJYFAC-LLVKDONJSA-N 1 3 211.309 -0.192 20 0 BBADHO COCCN(C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062904685 174278044 /nfs/dbraw/zinc/27/80/44/174278044.db2.gz SPUXQCHHUFMUOH-LBPRGKRZSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCN(C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062904688 174277892 /nfs/dbraw/zinc/27/78/92/174277892.db2.gz SPUXQCHHUFMUOH-GFCCVEGCSA-N 1 3 243.351 -0.320 20 0 BBADHO CNCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942893 386648572 /nfs/dbraw/zinc/64/85/72/386648572.db2.gz VBUCDKYMLKEYBR-SNVBAGLBSA-N 1 3 211.309 -0.098 20 0 BBADHO CNCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942893 386648570 /nfs/dbraw/zinc/64/85/70/386648570.db2.gz VBUCDKYMLKEYBR-SNVBAGLBSA-N 1 3 211.309 -0.098 20 0 BBADHO CNCC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942894 386647321 /nfs/dbraw/zinc/64/73/21/386647321.db2.gz VBUCDKYMLKEYBR-JTQLQIEISA-N 1 3 211.309 -0.098 20 0 BBADHO CNCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942894 386647314 /nfs/dbraw/zinc/64/73/14/386647314.db2.gz VBUCDKYMLKEYBR-JTQLQIEISA-N 1 3 211.309 -0.098 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000062971969 387188698 /nfs/dbraw/zinc/18/86/98/387188698.db2.gz IZRJXIMPRCSNSS-OUAUKWLOSA-N 1 3 241.335 -0.474 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000062971970 174770003 /nfs/dbraw/zinc/77/00/03/174770003.db2.gz IZRJXIMPRCSNSS-GARJFASQSA-N 1 3 241.335 -0.474 20 0 BBADHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062972045 411334099 /nfs/dbraw/zinc/33/40/99/411334099.db2.gz NDVOGKFBVBTNLM-NXEZZACHSA-N 1 3 211.309 -0.242 20 0 BBADHO CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062972046 411334679 /nfs/dbraw/zinc/33/46/79/411334679.db2.gz NDVOGKFBVBTNLM-ZJUUUORDSA-N 1 3 211.309 -0.242 20 0 BBADHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000062972047 411334341 /nfs/dbraw/zinc/33/43/41/411334341.db2.gz NDVOGKFBVBTNLM-VHSXEESVSA-N 1 3 211.309 -0.242 20 0 BBADHO CN(C)[C@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000062972048 411334619 /nfs/dbraw/zinc/33/46/19/411334619.db2.gz NDVOGKFBVBTNLM-UWVGGRQHSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973127 387190176 /nfs/dbraw/zinc/19/01/76/387190176.db2.gz VSWWOIUCIKIHIL-JTQLQIEISA-N 1 3 211.309 -0.098 20 0 BBADHO CNCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973128 387189323 /nfs/dbraw/zinc/18/93/23/387189323.db2.gz VSWWOIUCIKIHIL-SNVBAGLBSA-N 1 3 211.309 -0.098 20 0 BBADHO COCCNC(=[NH2+])NCCCN(C)CCOC ZINC000066245514 632861640 /nfs/dbraw/zinc/86/16/40/632861640.db2.gz PGWGBCFMTYHFOE-UHFFFAOYSA-N 1 3 246.355 -0.495 20 0 BBADHO CNC(NCCCN(C)CCOC)=[NH+]C ZINC000066245521 632861793 /nfs/dbraw/zinc/86/17/93/632861793.db2.gz HLCJUEWHCSPWLI-UHFFFAOYSA-N 1 3 216.329 -0.251 20 0 BBADHO COC[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000068892326 642807462 /nfs/dbraw/zinc/80/74/62/642807462.db2.gz GXWLXIFWJVFUFW-NXEZZACHSA-N 1 3 202.298 -0.336 20 0 BBADHO COC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000068892327 643433081 /nfs/dbraw/zinc/43/30/81/643433081.db2.gz GXWLXIFWJVFUFW-ZJUUUORDSA-N 1 3 202.298 -0.336 20 0 BBADHO COC[C@H](O)C[N@H+]1CCCC[C@@H]1CN ZINC000068892328 643432673 /nfs/dbraw/zinc/43/26/73/643432673.db2.gz XQEXRAWSHMDUQM-NXEZZACHSA-N 1 3 202.298 -0.193 20 0 BBADHO COC[C@H](O)C[N@@H+]1CCCC[C@@H]1CN ZINC000068892328 643432668 /nfs/dbraw/zinc/43/26/68/643432668.db2.gz XQEXRAWSHMDUQM-NXEZZACHSA-N 1 3 202.298 -0.193 20 0 BBADHO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1CN ZINC000068892329 642806227 /nfs/dbraw/zinc/80/62/27/642806227.db2.gz XQEXRAWSHMDUQM-ZJUUUORDSA-N 1 3 202.298 -0.193 20 0 BBADHO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN ZINC000068892329 642806225 /nfs/dbraw/zinc/80/62/25/642806225.db2.gz XQEXRAWSHMDUQM-ZJUUUORDSA-N 1 3 202.298 -0.193 20 0 BBADHO CCOC[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000068953533 643437477 /nfs/dbraw/zinc/43/74/77/643437477.db2.gz HTQKYNJLUDTBTO-NXEZZACHSA-N 1 3 202.298 -0.336 20 0 BBADHO CCOC[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000068953535 643436704 /nfs/dbraw/zinc/43/67/04/643436704.db2.gz HTQKYNJLUDTBTO-ZJUUUORDSA-N 1 3 202.298 -0.336 20 0 BBADHO CN(CCN1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000069606414 388852164 /nfs/dbraw/zinc/85/21/64/388852164.db2.gz NTFZYMASMWHGGY-LLVKDONJSA-N 1 3 213.325 -0.388 20 0 BBADHO CN(CCN1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000069606415 388851183 /nfs/dbraw/zinc/85/11/83/388851183.db2.gz NTFZYMASMWHGGY-NSHDSACASA-N 1 3 213.325 -0.388 20 0 BBADHO NC(=O)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000069626348 349951090 /nfs/dbraw/zinc/95/10/90/349951090.db2.gz IOZJYRUOOIAEQZ-MRVPVSSYSA-N 1 3 228.296 -0.758 20 0 BBADHO NC(=O)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000069626350 349951036 /nfs/dbraw/zinc/95/10/36/349951036.db2.gz IOZJYRUOOIAEQZ-QMMMGPOBSA-N 1 3 228.296 -0.758 20 0 BBADHO COCCN(C)CCNC(=O)CCCC[NH3+] ZINC000069734273 349956328 /nfs/dbraw/zinc/95/63/28/349956328.db2.gz QZLVFWRRGVTMIU-UHFFFAOYSA-N 1 3 231.340 -0.190 20 0 BBADHO C[NH2+]CCN(C)C(=O)[C@@H](N)CCSC ZINC000069803122 349960517 /nfs/dbraw/zinc/96/05/17/349960517.db2.gz LUYDCTXZIAYNTO-QMMMGPOBSA-N 1 3 219.354 -0.255 20 0 BBADHO COCCN(C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000069840245 174277495 /nfs/dbraw/zinc/27/74/95/174277495.db2.gz BSAYIAZCKIPZQT-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO COCCN(C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000069840246 174277980 /nfs/dbraw/zinc/27/79/80/174277980.db2.gz BSAYIAZCKIPZQT-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](CC[NH3+])C1 ZINC000070074299 387044369 /nfs/dbraw/zinc/04/43/69/387044369.db2.gz XARKYGPWPNDGMH-DTWKUNHWSA-N 1 3 242.323 -0.369 20 0 BBADHO C[C@H](C(=O)NC(N)=O)N1CCC[C@H](CC[NH3+])C1 ZINC000070074300 176568784 /nfs/dbraw/zinc/56/87/84/176568784.db2.gz XARKYGPWPNDGMH-RKDXNWHRSA-N 1 3 242.323 -0.369 20 0 BBADHO NC(=O)NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000070149446 398220847 /nfs/dbraw/zinc/22/08/47/398220847.db2.gz KMZZMJUZWHBNRD-VIFPVBQESA-N 1 3 242.323 -0.225 20 0 BBADHO NC(=O)NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000070149447 398221111 /nfs/dbraw/zinc/22/11/11/398221111.db2.gz KMZZMJUZWHBNRD-SECBINFHSA-N 1 3 242.323 -0.225 20 0 BBADHO CNC(=O)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070170950 173286752 /nfs/dbraw/zinc/28/67/52/173286752.db2.gz OBQORFHTNAYPMP-SECBINFHSA-N 1 3 242.323 -0.497 20 0 BBADHO CNC(=O)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000070170951 173287067 /nfs/dbraw/zinc/28/70/67/173287067.db2.gz OBQORFHTNAYPMP-VIFPVBQESA-N 1 3 242.323 -0.497 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)NC(N)=O)C1 ZINC000070173761 387046048 /nfs/dbraw/zinc/04/60/48/387046048.db2.gz BBTYZRXNSBKKOS-DTWKUNHWSA-N 1 3 242.323 -0.369 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)NC(N)=O)C1 ZINC000070173762 387046008 /nfs/dbraw/zinc/04/60/08/387046008.db2.gz BBTYZRXNSBKKOS-RKDXNWHRSA-N 1 3 242.323 -0.369 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)NC(N)=O)C1 ZINC000070173763 387046667 /nfs/dbraw/zinc/04/66/67/387046667.db2.gz BBTYZRXNSBKKOS-IUCAKERBSA-N 1 3 242.323 -0.369 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)NC(N)=O)C1 ZINC000070173764 387047162 /nfs/dbraw/zinc/04/71/62/387047162.db2.gz BBTYZRXNSBKKOS-BDAKNGLRSA-N 1 3 242.323 -0.369 20 0 BBADHO COCCOCCN(C)CCN1CC[NH2+]CC1 ZINC000070481636 411170202 /nfs/dbraw/zinc/17/02/02/411170202.db2.gz HJTVOYUWNDJZCM-UHFFFAOYSA-N 1 3 245.367 -0.514 20 0 BBADHO CN1CC[C@H](N2CCC(C[NH3+])CC2)C1=O ZINC000070583829 350543220 /nfs/dbraw/zinc/54/32/20/350543220.db2.gz ZEYYITATJQRILX-JTQLQIEISA-N 1 3 211.309 -0.112 20 0 BBADHO CN1CC[C@@H](N2CCC(C[NH3+])CC2)C1=O ZINC000070583830 361569905 /nfs/dbraw/zinc/56/99/05/361569905.db2.gz ZEYYITATJQRILX-SNVBAGLBSA-N 1 3 211.309 -0.112 20 0 BBADHO C[C@]1(C(=O)N2CCCNCC2)CCC[NH2+]1 ZINC000070618767 350032023 /nfs/dbraw/zinc/03/20/23/350032023.db2.gz ZIVNGRHKHGWLGN-LLVKDONJSA-N 1 3 211.309 -0.050 20 0 BBADHO C[C@@]1(C(=O)N2CCCNCC2)CCC[NH2+]1 ZINC000070618768 350032027 /nfs/dbraw/zinc/03/20/27/350032027.db2.gz ZIVNGRHKHGWLGN-NSHDSACASA-N 1 3 211.309 -0.050 20 0 BBADHO CC[C@@H](COC)NC[C@H](O)C[NH+](C)C ZINC000070625568 343336059 /nfs/dbraw/zinc/33/60/59/343336059.db2.gz OZJXPROGDRLJOL-UWVGGRQHSA-N 1 3 204.314 -0.077 20 0 BBADHO CC[C@H](COC)NC[C@H](O)C[NH+](C)C ZINC000070625569 343335887 /nfs/dbraw/zinc/33/58/87/343335887.db2.gz OZJXPROGDRLJOL-ZJUUUORDSA-N 1 3 204.314 -0.077 20 0 BBADHO CC[C@@H](COC)NC[C@@H](O)C[NH+](C)C ZINC000070625570 350555194 /nfs/dbraw/zinc/55/51/94/350555194.db2.gz OZJXPROGDRLJOL-VHSXEESVSA-N 1 3 204.314 -0.077 20 0 BBADHO CC[C@H](COC)NC[C@@H](O)C[NH+](C)C ZINC000070625571 343335825 /nfs/dbraw/zinc/33/58/25/343335825.db2.gz OZJXPROGDRLJOL-NXEZZACHSA-N 1 3 204.314 -0.077 20 0 BBADHO C[NH+](C)C[C@H](O)CNC[C@H](O)C1CC1 ZINC000070886185 643079664 /nfs/dbraw/zinc/07/96/64/643079664.db2.gz NUFKYBHUDUJZQC-ZJUUUORDSA-N 1 3 202.298 -0.731 20 0 BBADHO C[NH+](C)C[C@@H](O)CNC[C@H](O)C1CC1 ZINC000070886189 643078463 /nfs/dbraw/zinc/07/84/63/643078463.db2.gz NUFKYBHUDUJZQC-UWVGGRQHSA-N 1 3 202.298 -0.731 20 0 BBADHO C[NH+](C)C[C@H](O)CNC[C@@H](O)C1CC1 ZINC000070886195 643080382 /nfs/dbraw/zinc/08/03/82/643080382.db2.gz NUFKYBHUDUJZQC-NXEZZACHSA-N 1 3 202.298 -0.731 20 0 BBADHO C[NH+](C)C[C@@H](O)CNC[C@@H](O)C1CC1 ZINC000070886203 643079197 /nfs/dbraw/zinc/07/91/97/643079197.db2.gz NUFKYBHUDUJZQC-VHSXEESVSA-N 1 3 202.298 -0.731 20 0 BBADHO COC(=O)CCCN(C)CCN1CC[NH2+]CC1 ZINC000071150207 343623654 /nfs/dbraw/zinc/62/36/54/343623654.db2.gz VDMRWIUNIFGFEO-UHFFFAOYSA-N 1 3 243.351 -0.223 20 0 BBADHO COC(=O)[C@@H](C)CN(C)CCN1CC[NH2+]CC1 ZINC000071150581 387094953 /nfs/dbraw/zinc/09/49/53/387094953.db2.gz QLOXJKXPOPBXSW-NSHDSACASA-N 1 3 243.351 -0.368 20 0 BBADHO COC(=O)[C@H](C)CN(C)CCN1CC[NH2+]CC1 ZINC000071150583 187359337 /nfs/dbraw/zinc/35/93/37/187359337.db2.gz QLOXJKXPOPBXSW-LLVKDONJSA-N 1 3 243.351 -0.368 20 0 BBADHO CN(CCC(=O)N(C)C)CCN1CC[NH2+]CC1 ZINC000071150885 384662065 /nfs/dbraw/zinc/66/20/65/384662065.db2.gz OZTQHRBUCDRETO-UHFFFAOYSA-N 1 3 242.367 -0.698 20 0 BBADHO CN(CCn1cccn1)CCN1CC[NH2+]CC1 ZINC000071150907 387093969 /nfs/dbraw/zinc/09/39/69/387093969.db2.gz MDTRKZVELSUTDQ-UHFFFAOYSA-N 1 3 237.351 -0.280 20 0 BBADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)CN ZINC000076619333 388582024 /nfs/dbraw/zinc/58/20/24/388582024.db2.gz XDZGAFOWFAMKQI-UHFFFAOYSA-N 1 3 236.319 -0.070 20 0 BBADHO CCN1CCN(CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000077391334 325376920 /nfs/dbraw/zinc/37/69/20/325376920.db2.gz IQGUARYAKQIVFP-UHFFFAOYSA-N 1 3 242.367 -0.523 20 0 BBADHO COCCN(C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079521204 487641390 /nfs/dbraw/zinc/64/13/90/487641390.db2.gz PUPMJLPKOIWWBA-LBPRGKRZSA-N 1 3 243.351 -0.177 20 0 BBADHO CCN1CCN(CCCNC(=O)CC[NH3+])CC1 ZINC000082256198 385549278 /nfs/dbraw/zinc/54/92/78/385549278.db2.gz LICOVMWUHMOQND-UHFFFAOYSA-N 1 3 242.367 -0.521 20 0 BBADHO CCN1CCN(CCCNC(=O)C[NH2+]C)CC1 ZINC000082256388 385549964 /nfs/dbraw/zinc/54/99/64/385549964.db2.gz FYGZNGGGAILSSO-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO O=C(NC1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000082259253 388019874 /nfs/dbraw/zinc/01/98/74/388019874.db2.gz IGLCDTWNAPYUSG-JTQLQIEISA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(NC1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000082259254 388019036 /nfs/dbraw/zinc/01/90/36/388019036.db2.gz IGLCDTWNAPYUSG-SNVBAGLBSA-N 1 3 211.309 -0.003 20 0 BBADHO CNC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000082393530 343440664 /nfs/dbraw/zinc/44/06/64/343440664.db2.gz NDULMFGQAYCHDX-RKDXNWHRSA-N 1 3 212.297 -0.407 20 0 BBADHO CNC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000082393531 173210368 /nfs/dbraw/zinc/21/03/68/173210368.db2.gz NDULMFGQAYCHDX-BDAKNGLRSA-N 1 3 212.297 -0.407 20 0 BBADHO CCOCCN(C)CCN1CC[NH2+]CC1 ZINC000082420493 487624627 /nfs/dbraw/zinc/62/46/27/487624627.db2.gz VSTXSORKPLZJEO-UHFFFAOYSA-N 1 3 215.341 -0.140 20 0 BBADHO CCNC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000082431902 643312828 /nfs/dbraw/zinc/31/28/28/643312828.db2.gz DRMLCNNUIAQYMZ-NXEZZACHSA-N 1 3 226.324 -0.017 20 0 BBADHO CCNC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000082431904 643313623 /nfs/dbraw/zinc/31/36/23/643313623.db2.gz DRMLCNNUIAQYMZ-ZJUUUORDSA-N 1 3 226.324 -0.017 20 0 BBADHO CN(C[C@H](O)C[NH3+])C[C@@H]1CCCOC1 ZINC000082544403 384234872 /nfs/dbraw/zinc/23/48/72/384234872.db2.gz PCTSCDNDWYPYQD-VHSXEESVSA-N 1 3 202.298 -0.336 20 0 BBADHO C[N@@H+](C[C@H](O)CN)C[C@@H]1CCCOC1 ZINC000082544403 384234867 /nfs/dbraw/zinc/23/48/67/384234867.db2.gz PCTSCDNDWYPYQD-VHSXEESVSA-N 1 3 202.298 -0.336 20 0 BBADHO C[N@H+](C[C@H](O)CN)C[C@@H]1CCCOC1 ZINC000082544403 384234862 /nfs/dbraw/zinc/23/48/62/384234862.db2.gz PCTSCDNDWYPYQD-VHSXEESVSA-N 1 3 202.298 -0.336 20 0 BBADHO CN(C[C@H](O)C[NH3+])C[C@H]1CCCOC1 ZINC000082544404 384233384 /nfs/dbraw/zinc/23/33/84/384233384.db2.gz PCTSCDNDWYPYQD-NXEZZACHSA-N 1 3 202.298 -0.336 20 0 BBADHO C[N@@H+](C[C@H](O)CN)C[C@H]1CCCOC1 ZINC000082544404 384233381 /nfs/dbraw/zinc/23/33/81/384233381.db2.gz PCTSCDNDWYPYQD-NXEZZACHSA-N 1 3 202.298 -0.336 20 0 BBADHO C[N@H+](C[C@H](O)CN)C[C@H]1CCCOC1 ZINC000082544404 384233376 /nfs/dbraw/zinc/23/33/76/384233376.db2.gz PCTSCDNDWYPYQD-NXEZZACHSA-N 1 3 202.298 -0.336 20 0 BBADHO CN(C[C@H](O)C[NH3+])CC1CCOCC1 ZINC000082544409 384233874 /nfs/dbraw/zinc/23/38/74/384233874.db2.gz FNGLTTNFNPTWOB-SNVBAGLBSA-N 1 3 202.298 -0.336 20 0 BBADHO CN(C[C@@H](O)C[NH3+])CC1CCOCC1 ZINC000082544410 384234096 /nfs/dbraw/zinc/23/40/96/384234096.db2.gz FNGLTTNFNPTWOB-JTQLQIEISA-N 1 3 202.298 -0.336 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCNCC1 ZINC000082559256 384237289 /nfs/dbraw/zinc/23/72/89/384237289.db2.gz HFQLDCIZFFFWNH-NXEZZACHSA-N 1 3 211.309 -0.336 20 0 BBADHO [NH3+]C1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000082654590 181343173 /nfs/dbraw/zinc/34/31/73/181343173.db2.gz LGSFUBKQMWMKMU-UHFFFAOYSA-N 1 3 240.351 -0.769 20 0 BBADHO CN(C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000082665802 362097001 /nfs/dbraw/zinc/09/70/01/362097001.db2.gz OHQLMDYMLANURW-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO COCCN(C)CCNC(=O)CC(C)(C)[NH3+] ZINC000082772557 487729985 /nfs/dbraw/zinc/72/99/85/487729985.db2.gz LQNYQKKQHXPMOU-UHFFFAOYSA-N 1 3 231.340 -0.192 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCCNCC1 ZINC000082920699 384276983 /nfs/dbraw/zinc/27/69/83/384276983.db2.gz ODVKLKCSPZYEDF-VHSXEESVSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCCNCC1 ZINC000082920700 135442504 /nfs/dbraw/zinc/44/25/04/135442504.db2.gz ODVKLKCSPZYEDF-NXEZZACHSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCCNCC1 ZINC000082920701 384276771 /nfs/dbraw/zinc/27/67/71/384276771.db2.gz ODVKLKCSPZYEDF-UWVGGRQHSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCCNCC1 ZINC000082920702 384275648 /nfs/dbraw/zinc/27/56/48/384275648.db2.gz ODVKLKCSPZYEDF-ZJUUUORDSA-N 1 3 211.309 -0.064 20 0 BBADHO C[NH2+]CCCNC(=O)[C@H](N)CCSC ZINC000083350154 173347959 /nfs/dbraw/zinc/34/79/59/173347959.db2.gz GDHBXNRXZLIYQQ-MRVPVSSYSA-N 1 3 219.354 -0.208 20 0 BBADHO C[NH2+]CCCNC(=O)[C@@H](N)CCSC ZINC000083350155 173348094 /nfs/dbraw/zinc/34/80/94/173348094.db2.gz GDHBXNRXZLIYQQ-QMMMGPOBSA-N 1 3 219.354 -0.208 20 0 BBADHO N[C@H](CC1CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000083368652 643439210 /nfs/dbraw/zinc/43/92/10/643439210.db2.gz MOLPRBYWMQBMTG-LLVKDONJSA-N 1 3 240.351 -0.865 20 0 BBADHO CC(C)C[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000083370792 368769800 /nfs/dbraw/zinc/76/98/00/368769800.db2.gz BBIJXEQTOSKCCE-NSHDSACASA-N 1 3 242.367 -0.619 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000083370795 171395323 /nfs/dbraw/zinc/39/53/23/171395323.db2.gz QHFUYLQORADBJS-QWRGUYRKSA-N 1 3 242.367 -0.619 20 0 BBADHO [NH3+]CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000083643645 388056848 /nfs/dbraw/zinc/05/68/48/388056848.db2.gz FXTPDOIRJKYYBP-NSHDSACASA-N 1 3 219.288 -0.052 20 0 BBADHO [NH3+]CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000083643647 388056253 /nfs/dbraw/zinc/05/62/53/388056253.db2.gz FXTPDOIRJKYYBP-LLVKDONJSA-N 1 3 219.288 -0.052 20 0 BBADHO OCC(CO)[NH2+]CCCN1CCCC1 ZINC000083694736 343496657 /nfs/dbraw/zinc/49/66/57/343496657.db2.gz XLZVSTIVXZDDRA-UHFFFAOYSA-N 1 3 202.298 -0.585 20 0 BBADHO CC[N@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000083834680 384336674 /nfs/dbraw/zinc/33/66/74/384336674.db2.gz MIGFHIZLZGBHNR-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO CC[N@@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000083834680 384336667 /nfs/dbraw/zinc/33/66/67/384336667.db2.gz MIGFHIZLZGBHNR-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO CC[N@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000083834682 384336050 /nfs/dbraw/zinc/33/60/50/384336050.db2.gz MIGFHIZLZGBHNR-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO CC[N@@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000083834682 384336047 /nfs/dbraw/zinc/33/60/47/384336047.db2.gz MIGFHIZLZGBHNR-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO NC1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000083834869 384336497 /nfs/dbraw/zinc/33/64/97/384336497.db2.gz BYKAGQYKFIKNGG-SECBINFHSA-N 1 3 209.293 -0.216 20 0 BBADHO NC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000083834869 384336493 /nfs/dbraw/zinc/33/64/93/384336493.db2.gz BYKAGQYKFIKNGG-SECBINFHSA-N 1 3 209.293 -0.216 20 0 BBADHO NC1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000083834874 384336777 /nfs/dbraw/zinc/33/67/77/384336777.db2.gz BYKAGQYKFIKNGG-VIFPVBQESA-N 1 3 209.293 -0.216 20 0 BBADHO NC1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000083834874 384336770 /nfs/dbraw/zinc/33/67/70/384336770.db2.gz BYKAGQYKFIKNGG-VIFPVBQESA-N 1 3 209.293 -0.216 20 0 BBADHO C[NH+]1CCC(CNC(=O)C2(N)CC2)CC1 ZINC000083835630 343503901 /nfs/dbraw/zinc/50/39/01/343503901.db2.gz OQWBAQATSLERRS-UHFFFAOYSA-N 1 3 211.309 -0.064 20 0 BBADHO C[N@H+]1CCC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000083835633 384773860 /nfs/dbraw/zinc/77/38/60/384773860.db2.gz GAAGENJTWCBVSD-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO C[N@@H+]1CCC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000083835633 384773853 /nfs/dbraw/zinc/77/38/53/384773853.db2.gz GAAGENJTWCBVSD-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO C[N@H+]1CCC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000083835636 384773747 /nfs/dbraw/zinc/77/37/47/384773747.db2.gz GAAGENJTWCBVSD-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO C[N@@H+]1CCC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000083835636 384773741 /nfs/dbraw/zinc/77/37/41/384773741.db2.gz GAAGENJTWCBVSD-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO COCCN(C)CCNC(=O)C1([NH3+])CC1 ZINC000083835940 384334378 /nfs/dbraw/zinc/33/43/78/384334378.db2.gz GLHLTVKQUIIROK-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO NCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000083889463 384812422 /nfs/dbraw/zinc/81/24/22/384812422.db2.gz VDNVWXQXYJFIJO-UHFFFAOYSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]C[C@H]1CCC[C@H]1NC[C@@H]1CCC(=O)N1 ZINC000084222402 488219489 /nfs/dbraw/zinc/21/94/89/488219489.db2.gz BWICNTBOWWEQJN-KXUCPTDWSA-N 1 3 211.309 -0.018 20 0 BBADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084222402 488219485 /nfs/dbraw/zinc/21/94/85/488219485.db2.gz BWICNTBOWWEQJN-KXUCPTDWSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC(=O)N1 ZINC000084222406 488038803 /nfs/dbraw/zinc/03/88/03/488038803.db2.gz BWICNTBOWWEQJN-LPEHRKFASA-N 1 3 211.309 -0.018 20 0 BBADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084222406 488038798 /nfs/dbraw/zinc/03/87/98/488038798.db2.gz BWICNTBOWWEQJN-LPEHRKFASA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+]C[C@H]1CCC[C@@H]1NC[C@@H]1CCC(=O)N1 ZINC000084222411 488038887 /nfs/dbraw/zinc/03/88/87/488038887.db2.gz BWICNTBOWWEQJN-UTLUCORTSA-N 1 3 211.309 -0.018 20 0 BBADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084222411 488038879 /nfs/dbraw/zinc/03/88/79/488038879.db2.gz BWICNTBOWWEQJN-UTLUCORTSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC(=O)N1 ZINC000084222415 488038936 /nfs/dbraw/zinc/03/89/36/488038936.db2.gz BWICNTBOWWEQJN-GUBZILKMSA-N 1 3 211.309 -0.018 20 0 BBADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084222415 488038931 /nfs/dbraw/zinc/03/89/31/488038931.db2.gz BWICNTBOWWEQJN-GUBZILKMSA-N 1 3 211.309 -0.018 20 0 BBADHO O=C(C1C[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000084410050 384394812 /nfs/dbraw/zinc/39/48/12/384394812.db2.gz SYPXJFHGAOFZLN-SNVBAGLBSA-N 1 3 209.293 -0.488 20 0 BBADHO O=C(C1C[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000084410053 384395983 /nfs/dbraw/zinc/39/59/83/384395983.db2.gz SYPXJFHGAOFZLN-JTQLQIEISA-N 1 3 209.293 -0.488 20 0 BBADHO O=C(C1C[NH2+]C1)N1CC[C@@H](N2CCCC2)C1 ZINC000084412051 135249515 /nfs/dbraw/zinc/24/95/15/135249515.db2.gz QRSNVSVCWXVCBZ-LLVKDONJSA-N 1 3 223.320 -0.098 20 0 BBADHO O=C(C1C[NH2+]C1)N1CC[C@H](N2CCCC2)C1 ZINC000084412052 135249268 /nfs/dbraw/zinc/24/92/68/135249268.db2.gz QRSNVSVCWXVCBZ-NSHDSACASA-N 1 3 223.320 -0.098 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085374467 488164793 /nfs/dbraw/zinc/16/47/93/488164793.db2.gz QIQCIAJOXWWCLS-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO CN(C)CCNC(=O)c1csc(CC[NH3+])n1 ZINC000085547869 398288582 /nfs/dbraw/zinc/28/85/82/398288582.db2.gz KMHNIGDJIGGHGR-UHFFFAOYSA-N 1 3 242.348 -0.064 20 0 BBADHO CN(C)CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085612460 384545881 /nfs/dbraw/zinc/54/58/81/384545881.db2.gz ICAJUSFWKPANDR-SECBINFHSA-N 1 3 231.365 -0.241 20 0 BBADHO CN(C)CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085612464 384547591 /nfs/dbraw/zinc/54/75/91/384547591.db2.gz ICAJUSFWKPANDR-VIFPVBQESA-N 1 3 231.365 -0.241 20 0 BBADHO O=C(C[C@@H]1CSCC[NH2+]1)N1CCCNCC1 ZINC000085613189 387162680 /nfs/dbraw/zinc/16/26/80/387162680.db2.gz GUZVBIIKIRCVCS-SNVBAGLBSA-N 1 3 243.376 -0.097 20 0 BBADHO O=C(C[C@H]1CSCC[NH2+]1)N1CCCNCC1 ZINC000085613192 387161614 /nfs/dbraw/zinc/16/16/14/387161614.db2.gz GUZVBIIKIRCVCS-JTQLQIEISA-N 1 3 243.376 -0.097 20 0 BBADHO [NH3+]CCNC(=O)C[C@H]1CSCCN1 ZINC000085613792 368867378 /nfs/dbraw/zinc/86/73/78/368867378.db2.gz MXKQHJFUFWPHKJ-ZETCQYMHSA-N 1 3 203.311 -0.844 20 0 BBADHO [NH3+]CCNC(=O)C[C@@H]1CSCCN1 ZINC000085613796 368866794 /nfs/dbraw/zinc/86/67/94/368866794.db2.gz MXKQHJFUFWPHKJ-SSDOTTSWSA-N 1 3 203.311 -0.844 20 0 BBADHO [NH3+]CCCNC(=O)C[C@H]1CSCCN1 ZINC000085613800 487719060 /nfs/dbraw/zinc/71/90/60/487719060.db2.gz JMZFYOFINAJQNJ-QMMMGPOBSA-N 1 3 217.338 -0.454 20 0 BBADHO [NH3+]CCCNC(=O)C[C@@H]1CSCCN1 ZINC000085613802 488189807 /nfs/dbraw/zinc/18/98/07/488189807.db2.gz JMZFYOFINAJQNJ-MRVPVSSYSA-N 1 3 217.338 -0.454 20 0 BBADHO [NH3+]CCCCNC(=O)C[C@H]1CSCCN1 ZINC000085613807 368867410 /nfs/dbraw/zinc/86/74/10/368867410.db2.gz QPYWEIYINJZCRL-VIFPVBQESA-N 1 3 231.365 -0.063 20 0 BBADHO [NH3+]CCCCNC(=O)C[C@@H]1CSCCN1 ZINC000085613812 368866682 /nfs/dbraw/zinc/86/66/82/368866682.db2.gz QPYWEIYINJZCRL-SECBINFHSA-N 1 3 231.365 -0.063 20 0 BBADHO C[NH2+]CCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000085614623 488189872 /nfs/dbraw/zinc/18/98/72/488189872.db2.gz ZRLZFCAEJFQODK-SECBINFHSA-N 1 3 231.365 -0.241 20 0 BBADHO C[NH2+]CCN(C)C(=O)C[C@H]1CSCCN1 ZINC000085614627 488189907 /nfs/dbraw/zinc/18/99/07/488189907.db2.gz ZRLZFCAEJFQODK-VIFPVBQESA-N 1 3 231.365 -0.241 20 0 BBADHO C[NH+](C)CCCNC(=O)C[C@@H]1CNCCO1 ZINC000085618904 387164614 /nfs/dbraw/zinc/16/46/14/387164614.db2.gz WJJGJVLWYKRJCE-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH+](C)CCCNC(=O)C[C@H]1CNCCO1 ZINC000085618907 387164452 /nfs/dbraw/zinc/16/44/52/387164452.db2.gz WJJGJVLWYKRJCE-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CCN(C)C(=O)C[C@@H]1CNCCO1 ZINC000085620318 357126403 /nfs/dbraw/zinc/12/64/03/357126403.db2.gz FONFVEXNOPGXGO-SECBINFHSA-N 1 3 215.297 -0.957 20 0 BBADHO C[NH2+]CCN(C)C(=O)C[C@H]1CNCCO1 ZINC000085620320 357126414 /nfs/dbraw/zinc/12/64/14/357126414.db2.gz FONFVEXNOPGXGO-VIFPVBQESA-N 1 3 215.297 -0.957 20 0 BBADHO [NH3+]CCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000085790008 631463542 /nfs/dbraw/zinc/46/35/42/631463542.db2.gz ISCWXXXCBMZAGI-NXEZZACHSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+]CCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000085790010 643803773 /nfs/dbraw/zinc/80/37/73/643803773.db2.gz ISCWXXXCBMZAGI-VHSXEESVSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+]CCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000085790012 631463280 /nfs/dbraw/zinc/46/32/80/631463280.db2.gz ISCWXXXCBMZAGI-ZJUUUORDSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+]CCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000085790014 643804123 /nfs/dbraw/zinc/80/41/23/643804123.db2.gz ISCWXXXCBMZAGI-UWVGGRQHSA-N 1 3 227.308 -0.685 20 0 BBADHO C[NH2+]CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000085790415 644451564 /nfs/dbraw/zinc/45/15/64/644451564.db2.gz WYAGOKWPXYUHRU-NXEZZACHSA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+]CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000085790417 644451716 /nfs/dbraw/zinc/45/17/16/644451716.db2.gz WYAGOKWPXYUHRU-ZJUUUORDSA-N 1 3 227.308 -0.815 20 0 BBADHO C[C@@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000085790445 644452382 /nfs/dbraw/zinc/45/23/82/644452382.db2.gz KLRFKRLZMAQFSW-OPRDCNLKSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]([NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000085790446 644452025 /nfs/dbraw/zinc/45/20/25/644452025.db2.gz KLRFKRLZMAQFSW-BBBLOLIVSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000085790497 631463348 /nfs/dbraw/zinc/46/33/48/631463348.db2.gz KLRFKRLZMAQFSW-IVZWLZJFSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H](O)CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790560 643624019 /nfs/dbraw/zinc/62/40/19/643624019.db2.gz BEDARNKDPNEIDI-HBNTYKKESA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790560 643624016 /nfs/dbraw/zinc/62/40/16/643624016.db2.gz BEDARNKDPNEIDI-HBNTYKKESA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H](O)CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790562 643625025 /nfs/dbraw/zinc/62/50/25/643625025.db2.gz BEDARNKDPNEIDI-GMTAPVOTSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790562 643625021 /nfs/dbraw/zinc/62/50/21/643625021.db2.gz BEDARNKDPNEIDI-GMTAPVOTSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@H](O)CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790564 643623871 /nfs/dbraw/zinc/62/38/71/643623871.db2.gz BEDARNKDPNEIDI-AXFHLTTASA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790564 643623870 /nfs/dbraw/zinc/62/38/70/643623870.db2.gz BEDARNKDPNEIDI-AXFHLTTASA-N 1 3 214.309 -0.180 20 0 BBADHO CNCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975822 384582433 /nfs/dbraw/zinc/58/24/33/384582433.db2.gz SFPYNXVHFWEKBE-ZJUUUORDSA-N 1 3 211.309 -0.099 20 0 BBADHO CNCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975822 384582430 /nfs/dbraw/zinc/58/24/30/384582430.db2.gz SFPYNXVHFWEKBE-ZJUUUORDSA-N 1 3 211.309 -0.099 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000086067385 343609052 /nfs/dbraw/zinc/60/90/52/343609052.db2.gz PXQFAKOXTWVHMO-DTWKUNHWSA-N 1 3 201.314 -0.092 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000086067389 343608997 /nfs/dbraw/zinc/60/89/97/343608997.db2.gz PXQFAKOXTWVHMO-RKDXNWHRSA-N 1 3 201.314 -0.092 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000086067392 343609066 /nfs/dbraw/zinc/60/90/66/343609066.db2.gz PXQFAKOXTWVHMO-IUCAKERBSA-N 1 3 201.314 -0.092 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)N(C)C ZINC000086067395 343608857 /nfs/dbraw/zinc/60/88/57/343608857.db2.gz PXQFAKOXTWVHMO-BDAKNGLRSA-N 1 3 201.314 -0.092 20 0 BBADHO CCN(C)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000086068751 343609405 /nfs/dbraw/zinc/60/94/05/343609405.db2.gz UHQCQMVBWVGGKD-VIFPVBQESA-N 1 3 201.314 -0.090 20 0 BBADHO CCN(C)CCNC(=O)[C@H](C)C[NH2+]C ZINC000086068753 343609477 /nfs/dbraw/zinc/60/94/77/343609477.db2.gz UHQCQMVBWVGGKD-SECBINFHSA-N 1 3 201.314 -0.090 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)NCCN(C)CCOC ZINC000086068842 357815665 /nfs/dbraw/zinc/81/56/65/357815665.db2.gz PXUVVBOZVYMRTF-JTQLQIEISA-N 1 3 231.340 -0.464 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)NCCN(C)CCOC ZINC000086068844 357815512 /nfs/dbraw/zinc/81/55/12/357815512.db2.gz PXUVVBOZVYMRTF-SNVBAGLBSA-N 1 3 231.340 -0.464 20 0 BBADHO CC[NH+](CC)CCNC(=O)CNCCOC ZINC000086157901 357861818 /nfs/dbraw/zinc/86/18/18/357861818.db2.gz POPGJBACWADCAL-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO COCCNCC(=O)NCCC[NH+](C)C ZINC000086157904 343612206 /nfs/dbraw/zinc/61/22/06/343612206.db2.gz JYZCQXCJQZRWOK-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO COCCNCC(=O)N1CCC[NH2+]CC1 ZINC000086157968 398087346 /nfs/dbraw/zinc/08/73/46/398087346.db2.gz FSEQQBBFHYWDBC-UHFFFAOYSA-N 1 3 215.297 -0.956 20 0 BBADHO COCCNCC(=O)NC[C@H](C)[NH+](C)C ZINC000086158070 343612868 /nfs/dbraw/zinc/61/28/68/343612868.db2.gz OMCVVLDXYPCSDX-VIFPVBQESA-N 1 3 217.313 -0.711 20 0 BBADHO COCCNCC(=O)NC[C@@H](C)[NH+](C)C ZINC000086158071 343612645 /nfs/dbraw/zinc/61/26/45/343612645.db2.gz OMCVVLDXYPCSDX-SECBINFHSA-N 1 3 217.313 -0.711 20 0 BBADHO COCCNCC(=O)NCC(C)(C)[NH+](C)C ZINC000086158118 357861732 /nfs/dbraw/zinc/86/17/32/357861732.db2.gz PQXWEBKUUZQHKG-UHFFFAOYSA-N 1 3 231.340 -0.321 20 0 BBADHO COCCNCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000086158157 134591277 /nfs/dbraw/zinc/59/12/77/134591277.db2.gz ZROHLILAFGOWOE-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO COCCNCC(=O)N[C@H](C)CC[NH+](C)C ZINC000086158158 357861968 /nfs/dbraw/zinc/86/19/68/357861968.db2.gz ZROHLILAFGOWOE-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO COCCNCC(=O)NCCCC[NH+](C)C ZINC000086158194 357863011 /nfs/dbraw/zinc/86/30/11/357863011.db2.gz KGEJDKDIKILOON-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO COCCNCC(=O)NC1CCC([NH3+])CC1 ZINC000086158213 487487163 /nfs/dbraw/zinc/48/71/63/487487163.db2.gz GOSNKILCWOSRSC-UHFFFAOYSA-N 1 3 229.324 -0.392 20 0 BBADHO CC[N@@H+](C)CCNC(=O)CNCCOC ZINC000086158235 343612656 /nfs/dbraw/zinc/61/26/56/343612656.db2.gz JLKOWBCUKKNSAN-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO CC[N@H+](C)CCNC(=O)CNCCOC ZINC000086158235 343612655 /nfs/dbraw/zinc/61/26/55/343612655.db2.gz JLKOWBCUKKNSAN-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO COCCNCC(=O)NCC[N@@H+](C)C(C)C ZINC000086158236 357863403 /nfs/dbraw/zinc/86/34/03/357863403.db2.gz BMNOQXAMDBVSIX-UHFFFAOYSA-N 1 3 231.340 -0.321 20 0 BBADHO COCCNCC(=O)NCC[N@H+](C)C(C)C ZINC000086158236 357863402 /nfs/dbraw/zinc/86/34/02/357863402.db2.gz BMNOQXAMDBVSIX-UHFFFAOYSA-N 1 3 231.340 -0.321 20 0 BBADHO COCCNCC(=O)NCC[N@@H+](C)C1CC1 ZINC000086158263 357863269 /nfs/dbraw/zinc/86/32/69/357863269.db2.gz PBYGZIJANMPSSE-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO COCCNCC(=O)NCC[N@H+](C)C1CC1 ZINC000086158263 357863263 /nfs/dbraw/zinc/86/32/63/357863263.db2.gz PBYGZIJANMPSSE-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCCNCC1 ZINC000086271030 487495200 /nfs/dbraw/zinc/49/52/00/487495200.db2.gz JBSUJIFGRADGOB-NXEZZACHSA-N 1 3 211.309 -0.194 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCNCC1 ZINC000086271031 487495379 /nfs/dbraw/zinc/49/53/79/487495379.db2.gz JBSUJIFGRADGOB-VHSXEESVSA-N 1 3 211.309 -0.194 20 0 BBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCCNCC1 ZINC000086271032 487495301 /nfs/dbraw/zinc/49/53/01/487495301.db2.gz JBSUJIFGRADGOB-ZJUUUORDSA-N 1 3 211.309 -0.194 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCNCC1 ZINC000086271033 487495313 /nfs/dbraw/zinc/49/53/13/487495313.db2.gz JBSUJIFGRADGOB-UWVGGRQHSA-N 1 3 211.309 -0.194 20 0 BBADHO [NH3+][C@H]1CCC[C@@H](NCCOCCO)C1 ZINC000086402477 358967068 /nfs/dbraw/zinc/96/70/68/358967068.db2.gz PBYWYQHIESTPLI-VHSXEESVSA-N 1 3 202.298 -0.145 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NCCOCCO)C1 ZINC000086402480 358966746 /nfs/dbraw/zinc/96/67/46/358966746.db2.gz PBYWYQHIESTPLI-NXEZZACHSA-N 1 3 202.298 -0.145 20 0 BBADHO [NH3+][C@H]1CCC[C@H](NCCOCCO)C1 ZINC000086402481 358966909 /nfs/dbraw/zinc/96/69/09/358966909.db2.gz PBYWYQHIESTPLI-UWVGGRQHSA-N 1 3 202.298 -0.145 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NCCOCCO)C1 ZINC000086402484 358966699 /nfs/dbraw/zinc/96/66/99/358966699.db2.gz PBYWYQHIESTPLI-ZJUUUORDSA-N 1 3 202.298 -0.145 20 0 BBADHO COC[C@H](O)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404368 358968155 /nfs/dbraw/zinc/96/81/55/358968155.db2.gz HHXRMFPAZLRADU-IVZWLZJFSA-N 1 3 202.298 -0.147 20 0 BBADHO COC[C@H](O)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086404373 358968586 /nfs/dbraw/zinc/96/85/86/358968586.db2.gz HHXRMFPAZLRADU-LPEHRKFASA-N 1 3 202.298 -0.147 20 0 BBADHO CCN1CCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000086434229 487503155 /nfs/dbraw/zinc/50/31/55/487503155.db2.gz LEHPGPVXNCLBGH-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO CCN1CCC[C@H]1CNC(=O)COCC[NH3+] ZINC000086434230 487503139 /nfs/dbraw/zinc/50/31/39/487503139.db2.gz LEHPGPVXNCLBGH-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO [NH3+]CCOCC(=O)NCCN1CCCC1 ZINC000086434357 487721372 /nfs/dbraw/zinc/72/13/72/487721372.db2.gz VSOHHAJOMSMKEU-UHFFFAOYSA-N 1 3 215.297 -0.826 20 0 BBADHO C[C@@H](CNC(=O)COCC[NH3+])N(C)C ZINC000086434631 487504861 /nfs/dbraw/zinc/50/48/61/487504861.db2.gz SDTDGDQFZIJRQI-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO C[C@H](CNC(=O)COCC[NH3+])N(C)C ZINC000086434632 487505178 /nfs/dbraw/zinc/50/51/78/487505178.db2.gz SDTDGDQFZIJRQI-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO CCN1CCC(NC(=O)COCC[NH3+])CC1 ZINC000086434637 487504967 /nfs/dbraw/zinc/50/49/67/487504967.db2.gz JPNIKCAXEIIWSK-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO CN1CCC[C@H](NC(=O)COCC[NH3+])C1 ZINC000086434712 487505090 /nfs/dbraw/zinc/50/50/90/487505090.db2.gz WTRIVCKFLZYGCJ-VIFPVBQESA-N 1 3 215.297 -0.828 20 0 BBADHO CN1CCC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000086434713 487505216 /nfs/dbraw/zinc/50/52/16/487505216.db2.gz WTRIVCKFLZYGCJ-SECBINFHSA-N 1 3 215.297 -0.828 20 0 BBADHO [NH3+]CCOCC(=O)NCCN1CCCCC1 ZINC000086434810 487878204 /nfs/dbraw/zinc/87/82/04/487878204.db2.gz BZDRSEUJVZEMSM-UHFFFAOYSA-N 1 3 229.324 -0.436 20 0 BBADHO [NH3+]CCOCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000086434852 487505113 /nfs/dbraw/zinc/50/51/13/487505113.db2.gz IEETXYOVVRUVOZ-VIFPVBQESA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+]CCOCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000086434853 487504954 /nfs/dbraw/zinc/50/49/54/487504954.db2.gz IEETXYOVVRUVOZ-SECBINFHSA-N 1 3 227.308 -0.685 20 0 BBADHO CCCN(CCN(C)C)C(=O)COCC[NH3+] ZINC000086434880 487505391 /nfs/dbraw/zinc/50/53/91/487505391.db2.gz RHBHWBGAKHLWNQ-UHFFFAOYSA-N 1 3 231.340 -0.238 20 0 BBADHO CN(C)C[C@@H]1CCCN1C(=O)COCC[NH3+] ZINC000086434964 487506160 /nfs/dbraw/zinc/50/61/60/487506160.db2.gz GJCSPCMPWMZXCV-JTQLQIEISA-N 1 3 229.324 -0.486 20 0 BBADHO CN(C)C[C@H]1CCCN1C(=O)COCC[NH3+] ZINC000086434965 487506076 /nfs/dbraw/zinc/50/60/76/487506076.db2.gz GJCSPCMPWMZXCV-SNVBAGLBSA-N 1 3 229.324 -0.486 20 0 BBADHO CN(CCNC(=O)COCC[NH3+])C1CC1 ZINC000086434981 487506106 /nfs/dbraw/zinc/50/61/06/487506106.db2.gz JTWZVNPKQQZIBQ-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO CC(C)N1CCN(CCOCC[NH3+])CC1 ZINC000086435413 135084096 /nfs/dbraw/zinc/08/40/96/135084096.db2.gz FLVPORZQKAAGBU-UHFFFAOYSA-N 1 3 215.341 -0.012 20 0 BBADHO [NH3+]CCOCCN1CCN(C2CC2)CC1 ZINC000086435498 135084300 /nfs/dbraw/zinc/08/43/00/135084300.db2.gz VTTVOZYXFYPUSU-UHFFFAOYSA-N 1 3 213.325 -0.258 20 0 BBADHO [NH3+]CCOCCN1CCN(CC2CC2)CC1 ZINC000086435499 135084177 /nfs/dbraw/zinc/08/41/77/135084177.db2.gz GMIJUXJUWGFYTE-UHFFFAOYSA-N 1 3 227.352 -0.011 20 0 BBADHO CN1CCN(CCOCC[NH3+])CC1(C)C ZINC000086435775 487506797 /nfs/dbraw/zinc/50/67/97/487506797.db2.gz DFXSQMCBKYNKTH-UHFFFAOYSA-N 1 3 215.341 -0.012 20 0 BBADHO C[N@@H+](CCC(=O)NC(N)=O)CC(C)(C)CN ZINC000086638075 536305054 /nfs/dbraw/zinc/30/50/54/536305054.db2.gz OSKTTZJWXIRFML-UHFFFAOYSA-N 1 3 230.312 -0.512 20 0 BBADHO C[N@H+](CCC(=O)NC(N)=O)CC(C)(C)CN ZINC000086638075 536305050 /nfs/dbraw/zinc/30/50/50/536305050.db2.gz OSKTTZJWXIRFML-UHFFFAOYSA-N 1 3 230.312 -0.512 20 0 BBADHO CN(CCC(=O)NC(N)=O)CC(C)(C)C[NH3+] ZINC000086638075 536305049 /nfs/dbraw/zinc/30/50/49/536305049.db2.gz OSKTTZJWXIRFML-UHFFFAOYSA-N 1 3 230.312 -0.512 20 0 BBADHO COC[C@@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886905 644257003 /nfs/dbraw/zinc/25/70/03/644257003.db2.gz LDEFETMCSSSGRL-UTLUCORTSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886907 644258446 /nfs/dbraw/zinc/25/84/46/644258446.db2.gz LDEFETMCSSSGRL-GUBZILKMSA-N 1 3 202.298 -0.337 20 0 BBADHO CNCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932367 384721446 /nfs/dbraw/zinc/72/14/46/384721446.db2.gz LJJPWSSKBJUAPJ-NXEZZACHSA-N 1 3 211.309 -0.099 20 0 BBADHO CNCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932367 384721436 /nfs/dbraw/zinc/72/14/36/384721436.db2.gz LJJPWSSKBJUAPJ-NXEZZACHSA-N 1 3 211.309 -0.099 20 0 BBADHO CNCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932369 384720323 /nfs/dbraw/zinc/72/03/23/384720323.db2.gz LJJPWSSKBJUAPJ-VHSXEESVSA-N 1 3 211.309 -0.099 20 0 BBADHO CNCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932369 384720319 /nfs/dbraw/zinc/72/03/19/384720319.db2.gz LJJPWSSKBJUAPJ-VHSXEESVSA-N 1 3 211.309 -0.099 20 0 BBADHO CN(C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087045314 535887602 /nfs/dbraw/zinc/88/76/02/535887602.db2.gz LPZGQRDODOGGEV-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCNCC2)O1 ZINC000087046093 368888007 /nfs/dbraw/zinc/88/80/07/368888007.db2.gz HVHFMTAWFFICFD-ZJUUUORDSA-N 1 3 227.308 -0.685 20 0 BBADHO CCN(C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087047127 135105168 /nfs/dbraw/zinc/10/51/68/135105168.db2.gz AXIIIYJFCDAHQP-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO O[C@H](C[NH2+][C@@H]1CCOC1)CN1CCCC1 ZINC000087415994 343648794 /nfs/dbraw/zinc/64/87/94/343648794.db2.gz YCWJOGDIJRMRMS-GHMZBOCLSA-N 1 3 214.309 -0.178 20 0 BBADHO O[C@@H](C[NH2+][C@@H]1CCOC1)CN1CCCC1 ZINC000087415995 343648854 /nfs/dbraw/zinc/64/88/54/343648854.db2.gz YCWJOGDIJRMRMS-MNOVXSKESA-N 1 3 214.309 -0.178 20 0 BBADHO O[C@H](C[NH2+][C@H]1CCOC1)CN1CCCC1 ZINC000087415996 343649006 /nfs/dbraw/zinc/64/90/06/343649006.db2.gz YCWJOGDIJRMRMS-WDEREUQCSA-N 1 3 214.309 -0.178 20 0 BBADHO O[C@@H](C[NH2+][C@H]1CCOC1)CN1CCCC1 ZINC000087415997 343648940 /nfs/dbraw/zinc/64/89/40/343648940.db2.gz YCWJOGDIJRMRMS-QWRGUYRKSA-N 1 3 214.309 -0.178 20 0 BBADHO C[NH2+]CCCN(C)C(=O)C[C@@H]1CNCCO1 ZINC000087471781 366597445 /nfs/dbraw/zinc/59/74/45/366597445.db2.gz OPJKYZKWEPCXOD-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CCCN(C)C(=O)C[C@H]1CNCCO1 ZINC000087471782 366597405 /nfs/dbraw/zinc/59/74/05/366597405.db2.gz OPJKYZKWEPCXOD-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CCCN(C)C(=O)CNCCOC ZINC000087471783 366597131 /nfs/dbraw/zinc/59/71/31/366597131.db2.gz DNYJXAQCUQRMAK-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO COCCN(C)CCNC(=O)C1([NH3+])CCC1 ZINC000088051067 362840811 /nfs/dbraw/zinc/84/08/11/362840811.db2.gz RWPZVHPRWPCNKZ-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO C[N@H+]1CCC[C@H]2CN(C(=O)CN)CC[C@@H]21 ZINC000088091213 136284301 /nfs/dbraw/zinc/28/43/01/136284301.db2.gz XIVQRHTUXOEDPV-UWVGGRQHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)CN)CC[C@@H]21 ZINC000088091213 136284300 /nfs/dbraw/zinc/28/43/00/136284300.db2.gz XIVQRHTUXOEDPV-UWVGGRQHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)CN)CC[C@@H]21 ZINC000088091214 536377447 /nfs/dbraw/zinc/37/74/47/536377447.db2.gz XIVQRHTUXOEDPV-ZJUUUORDSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN)CC[C@@H]21 ZINC000088091214 536377444 /nfs/dbraw/zinc/37/74/44/536377444.db2.gz XIVQRHTUXOEDPV-ZJUUUORDSA-N 1 3 211.309 -0.112 20 0 BBADHO OC[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000088098930 632654575 /nfs/dbraw/zinc/65/45/75/632654575.db2.gz NVIMXONKXRHMMZ-NSHDSACASA-N 1 3 214.309 -0.321 20 0 BBADHO OC[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000088098932 641162297 /nfs/dbraw/zinc/16/22/97/641162297.db2.gz NVIMXONKXRHMMZ-LLVKDONJSA-N 1 3 214.309 -0.321 20 0 BBADHO CN(C)C(=O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088301036 368909911 /nfs/dbraw/zinc/90/99/11/368909911.db2.gz HJVDRNPTYIHSJR-AOOOYVTPSA-N 1 3 211.309 -0.384 20 0 BBADHO CN(C)C(=O)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088301038 356660795 /nfs/dbraw/zinc/66/07/95/356660795.db2.gz HJVDRNPTYIHSJR-NXEZZACHSA-N 1 3 211.309 -0.384 20 0 BBADHO CN(C)C(=O)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088301041 356660853 /nfs/dbraw/zinc/66/08/53/356660853.db2.gz HJVDRNPTYIHSJR-UWVGGRQHSA-N 1 3 211.309 -0.384 20 0 BBADHO COCCN(C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747911 644563978 /nfs/dbraw/zinc/56/39/78/644563978.db2.gz MEWXDJXMYHLIIC-NSHDSACASA-N 1 3 243.351 -0.320 20 0 BBADHO COCCN(C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000089747915 487851969 /nfs/dbraw/zinc/85/19/69/487851969.db2.gz MEWXDJXMYHLIIC-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO CC[NH+](CC)CCNC(=O)C[C@@H]1CNCCO1 ZINC000091298868 386292655 /nfs/dbraw/zinc/29/26/55/386292655.db2.gz KZVMOXFNPVKCMV-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO CC[NH+](CC)CCNC(=O)C[C@H]1CNCCO1 ZINC000091298869 169778338 /nfs/dbraw/zinc/77/83/38/169778338.db2.gz KZVMOXFNPVKCMV-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO CN1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091299250 173011390 /nfs/dbraw/zinc/01/13/90/173011390.db2.gz IKQVETPUBHEDQP-LLVKDONJSA-N 1 3 241.335 -0.471 20 0 BBADHO CN1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091299251 173011600 /nfs/dbraw/zinc/01/16/00/173011600.db2.gz IKQVETPUBHEDQP-NSHDSACASA-N 1 3 241.335 -0.471 20 0 BBADHO CN1CCC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091310289 488042104 /nfs/dbraw/zinc/04/21/04/488042104.db2.gz UFZUQAGUJVCUIB-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO CN1CCC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091310291 488041982 /nfs/dbraw/zinc/04/19/82/488041982.db2.gz UFZUQAGUJVCUIB-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1CNCCO1 ZINC000091310399 172394630 /nfs/dbraw/zinc/39/46/30/172394630.db2.gz TVMJCTUUCDOLHB-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO C[NH+](C)C(C)(C)CNC(=O)C[C@H]1CNCCO1 ZINC000091310401 172395946 /nfs/dbraw/zinc/39/59/46/172395946.db2.gz TVMJCTUUCDOLHB-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1CNCCO1 ZINC000091311072 360112803 /nfs/dbraw/zinc/11/28/03/360112803.db2.gz ZCQWWUUMHCHYJU-WDEREUQCSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1CNCCO1 ZINC000091311074 360112748 /nfs/dbraw/zinc/11/27/48/360112748.db2.gz ZCQWWUUMHCHYJU-GHMZBOCLSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1CNCCO1 ZINC000091311076 360112722 /nfs/dbraw/zinc/11/27/22/360112722.db2.gz ZCQWWUUMHCHYJU-QWRGUYRKSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1CNCCO1 ZINC000091311079 387206190 /nfs/dbraw/zinc/20/61/90/387206190.db2.gz ZCQWWUUMHCHYJU-MNOVXSKESA-N 1 3 243.351 -0.179 20 0 BBADHO C[NH+](C)CCCCNC(=O)C[C@@H]1CNCCO1 ZINC000091311350 360112483 /nfs/dbraw/zinc/11/24/83/360112483.db2.gz VUPQDBCXBOQJJY-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH+](C)CCCCNC(=O)C[C@H]1CNCCO1 ZINC000091311352 360112533 /nfs/dbraw/zinc/11/25/33/360112533.db2.gz VUPQDBCXBOQJJY-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1CNCCO1 ZINC000091311713 386293805 /nfs/dbraw/zinc/29/38/05/386293805.db2.gz KJRUTCLWSIXCMK-LLVKDONJSA-N 1 3 243.351 -0.179 20 0 BBADHO CC(C)[N@H+](C)CCNC(=O)C[C@@H]1CNCCO1 ZINC000091311713 386293799 /nfs/dbraw/zinc/29/37/99/386293799.db2.gz KJRUTCLWSIXCMK-LLVKDONJSA-N 1 3 243.351 -0.179 20 0 BBADHO CC(C)[N@@H+](C)CCNC(=O)C[C@H]1CNCCO1 ZINC000091311716 386294104 /nfs/dbraw/zinc/29/41/04/386294104.db2.gz KJRUTCLWSIXCMK-NSHDSACASA-N 1 3 243.351 -0.179 20 0 BBADHO CC(C)[N@H+](C)CCNC(=O)C[C@H]1CNCCO1 ZINC000091311716 386294099 /nfs/dbraw/zinc/29/40/99/386294099.db2.gz KJRUTCLWSIXCMK-NSHDSACASA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](C[NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091666886 360122297 /nfs/dbraw/zinc/12/22/97/360122297.db2.gz GDCNJAHXMCRHCZ-GMTAPVOTSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H](C[NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091666888 360122159 /nfs/dbraw/zinc/12/21/59/360122159.db2.gz GDCNJAHXMCRHCZ-MXWKQRLJSA-N 1 3 241.335 -0.439 20 0 BBADHO [NH3+]C1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000091667892 632124170 /nfs/dbraw/zinc/12/41/70/632124170.db2.gz RYBWUUXAMPZQAP-NXEZZACHSA-N 1 3 239.319 -0.543 20 0 BBADHO NC1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667892 632124167 /nfs/dbraw/zinc/12/41/67/632124167.db2.gz RYBWUUXAMPZQAP-NXEZZACHSA-N 1 3 239.319 -0.543 20 0 BBADHO NC1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667892 632124163 /nfs/dbraw/zinc/12/41/63/632124163.db2.gz RYBWUUXAMPZQAP-NXEZZACHSA-N 1 3 239.319 -0.543 20 0 BBADHO [NH3+]C1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000091667893 632123324 /nfs/dbraw/zinc/12/33/24/632123324.db2.gz RYBWUUXAMPZQAP-VHSXEESVSA-N 1 3 239.319 -0.543 20 0 BBADHO NC1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000091667893 632123317 /nfs/dbraw/zinc/12/33/17/632123317.db2.gz RYBWUUXAMPZQAP-VHSXEESVSA-N 1 3 239.319 -0.543 20 0 BBADHO NC1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000091667893 632123311 /nfs/dbraw/zinc/12/33/11/632123311.db2.gz RYBWUUXAMPZQAP-VHSXEESVSA-N 1 3 239.319 -0.543 20 0 BBADHO [NH3+]C1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000091667894 632123233 /nfs/dbraw/zinc/12/32/33/632123233.db2.gz RYBWUUXAMPZQAP-ZJUUUORDSA-N 1 3 239.319 -0.543 20 0 BBADHO NC1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667894 632123227 /nfs/dbraw/zinc/12/32/27/632123227.db2.gz RYBWUUXAMPZQAP-ZJUUUORDSA-N 1 3 239.319 -0.543 20 0 BBADHO NC1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667894 632123224 /nfs/dbraw/zinc/12/32/24/632123224.db2.gz RYBWUUXAMPZQAP-ZJUUUORDSA-N 1 3 239.319 -0.543 20 0 BBADHO [NH3+]C1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000091667895 632124365 /nfs/dbraw/zinc/12/43/65/632124365.db2.gz RYBWUUXAMPZQAP-UWVGGRQHSA-N 1 3 239.319 -0.543 20 0 BBADHO NC1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000091667895 632124355 /nfs/dbraw/zinc/12/43/55/632124355.db2.gz RYBWUUXAMPZQAP-UWVGGRQHSA-N 1 3 239.319 -0.543 20 0 BBADHO NC1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000091667895 632124351 /nfs/dbraw/zinc/12/43/51/632124351.db2.gz RYBWUUXAMPZQAP-UWVGGRQHSA-N 1 3 239.319 -0.543 20 0 BBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000091667920 360123027 /nfs/dbraw/zinc/12/30/27/360123027.db2.gz YFQXCGTUWFSHNN-GHMZBOCLSA-N 1 3 239.319 -0.815 20 0 BBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000091667921 360123419 /nfs/dbraw/zinc/12/34/19/360123419.db2.gz YFQXCGTUWFSHNN-WDEREUQCSA-N 1 3 239.319 -0.815 20 0 BBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000091667922 360123094 /nfs/dbraw/zinc/12/30/94/360123094.db2.gz YFQXCGTUWFSHNN-MNOVXSKESA-N 1 3 239.319 -0.815 20 0 BBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000091667923 360123392 /nfs/dbraw/zinc/12/33/92/360123392.db2.gz YFQXCGTUWFSHNN-QWRGUYRKSA-N 1 3 239.319 -0.815 20 0 BBADHO CC(C)([NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091667970 360122922 /nfs/dbraw/zinc/12/29/22/360122922.db2.gz UBOBYWOSPLUXCW-NXEZZACHSA-N 1 3 241.335 -0.297 20 0 BBADHO CC(C)([NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091667971 360123404 /nfs/dbraw/zinc/12/34/04/360123404.db2.gz UBOBYWOSPLUXCW-ZJUUUORDSA-N 1 3 241.335 -0.297 20 0 BBADHO CC[C@@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668064 632124020 /nfs/dbraw/zinc/12/40/20/632124020.db2.gz BKHVPKCSERCAJV-GMTAPVOTSA-N 1 3 241.335 -0.297 20 0 BBADHO CC[C@@H]([NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668065 632122796 /nfs/dbraw/zinc/12/27/96/632122796.db2.gz BKHVPKCSERCAJV-OUAUKWLOSA-N 1 3 241.335 -0.297 20 0 BBADHO [NH3+]CCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668273 360123447 /nfs/dbraw/zinc/12/34/47/360123447.db2.gz JJXCOAOQPMGWLQ-GHMZBOCLSA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]CCCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000091668274 360123266 /nfs/dbraw/zinc/12/32/66/360123266.db2.gz JJXCOAOQPMGWLQ-WDEREUQCSA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]CCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668275 360123442 /nfs/dbraw/zinc/12/34/42/360123442.db2.gz JJXCOAOQPMGWLQ-MNOVXSKESA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]CCCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000091668276 360123438 /nfs/dbraw/zinc/12/34/38/360123438.db2.gz JJXCOAOQPMGWLQ-QWRGUYRKSA-N 1 3 241.335 -0.295 20 0 BBADHO C[NH2+]CCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668361 360122694 /nfs/dbraw/zinc/12/26/94/360122694.db2.gz RSKIWVPRURBOBG-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]CCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668362 360122801 /nfs/dbraw/zinc/12/28/01/360122801.db2.gz RSKIWVPRURBOBG-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@H]([NH3+])CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668369 632124203 /nfs/dbraw/zinc/12/42/03/632124203.db2.gz HVLHFQPAGFFKLX-HBNTYKKESA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]([NH3+])CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668370 641581302 /nfs/dbraw/zinc/58/13/02/641581302.db2.gz HVLHFQPAGFFKLX-GMTAPVOTSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]([NH3+])CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668371 631542143 /nfs/dbraw/zinc/54/21/43/631542143.db2.gz HVLHFQPAGFFKLX-AXFHLTTASA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]([NH3+])CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668372 632122990 /nfs/dbraw/zinc/12/29/90/632122990.db2.gz HVLHFQPAGFFKLX-MXWKQRLJSA-N 1 3 241.335 -0.297 20 0 BBADHO CC[NH2+]CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668408 631543333 /nfs/dbraw/zinc/54/33/33/631543333.db2.gz ABAQWSAOAJUMFU-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO CC[NH2+]CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668409 631542540 /nfs/dbraw/zinc/54/25/40/631542540.db2.gz ABAQWSAOAJUMFU-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+][C@@H](C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668420 641581410 /nfs/dbraw/zinc/58/14/10/641581410.db2.gz ICAICLPNQGIEKW-HBNTYKKESA-N 1 3 241.335 -0.426 20 0 BBADHO C[NH2+][C@@H](C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668422 644635261 /nfs/dbraw/zinc/63/52/61/644635261.db2.gz ICAICLPNQGIEKW-AXFHLTTASA-N 1 3 241.335 -0.426 20 0 BBADHO O=C1NC[C@@H]2CN(CC3CC[NH2+]CC3)CCN12 ZINC000091753293 386306289 /nfs/dbraw/zinc/30/62/89/386306289.db2.gz UCRPMHPBZZJRQP-LLVKDONJSA-N 1 3 238.335 -0.305 20 0 BBADHO O=C1NC[C@H]2CN(CC3CC[NH2+]CC3)CCN12 ZINC000091753295 386306653 /nfs/dbraw/zinc/30/66/53/386306653.db2.gz UCRPMHPBZZJRQP-NSHDSACASA-N 1 3 238.335 -0.305 20 0 BBADHO COCCNCC(=O)NCC(C)(C)C[NH+](C)C ZINC000092495142 174331337 /nfs/dbraw/zinc/33/13/37/174331337.db2.gz KXKQUWBGZALYMN-UHFFFAOYSA-N 1 3 245.367 -0.074 20 0 BBADHO COCCNCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000092495154 174330191 /nfs/dbraw/zinc/33/01/91/174330191.db2.gz BXQBZZFLBCARMO-UHFFFAOYSA-N 1 3 243.351 -0.225 20 0 BBADHO COCCNCC(=O)NCCC[NH+]1CCCC1 ZINC000092495180 174331800 /nfs/dbraw/zinc/33/18/00/174331800.db2.gz XQRBKUYJBXKKCG-UHFFFAOYSA-N 1 3 243.351 -0.176 20 0 BBADHO COCCNCC(=O)N1CCC([NH+](C)C)CC1 ZINC000092495214 174330830 /nfs/dbraw/zinc/33/08/30/174330830.db2.gz ZYFKTKFZTWNYCR-UHFFFAOYSA-N 1 3 243.351 -0.225 20 0 BBADHO CC[N@H+]1CC[C@H](CNC(=O)CNCCOC)C1 ZINC000092495636 170015005 /nfs/dbraw/zinc/01/50/05/170015005.db2.gz YSALSFSOTQIGDI-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO CC[N@@H+]1CC[C@H](CNC(=O)CNCCOC)C1 ZINC000092495636 170015004 /nfs/dbraw/zinc/01/50/04/170015004.db2.gz YSALSFSOTQIGDI-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO CC[N@H+]1CC[C@@H](CNC(=O)CNCCOC)C1 ZINC000092495637 170006212 /nfs/dbraw/zinc/00/62/12/170006212.db2.gz YSALSFSOTQIGDI-NSHDSACASA-N 1 3 243.351 -0.320 20 0 BBADHO CC[N@@H+]1CC[C@@H](CNC(=O)CNCCOC)C1 ZINC000092495637 170006211 /nfs/dbraw/zinc/00/62/11/170006211.db2.gz YSALSFSOTQIGDI-NSHDSACASA-N 1 3 243.351 -0.320 20 0 BBADHO COCCNCC(=O)NCC[NH+]1CCCCC1 ZINC000092509722 174330897 /nfs/dbraw/zinc/33/08/97/174330897.db2.gz XKBQHMUEQBAGPC-UHFFFAOYSA-N 1 3 243.351 -0.176 20 0 BBADHO COCCNCC(=O)NCC1CC[NH+](C)CC1 ZINC000092509784 174331601 /nfs/dbraw/zinc/33/16/01/174331601.db2.gz AJSQMNCUFOFJPZ-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCNCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000092509788 344297615 /nfs/dbraw/zinc/29/76/15/344297615.db2.gz OESZHZDPQOFIIC-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCNCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000092509788 344297614 /nfs/dbraw/zinc/29/76/14/344297614.db2.gz OESZHZDPQOFIIC-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCNCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000092509790 344297297 /nfs/dbraw/zinc/29/72/97/344297297.db2.gz OESZHZDPQOFIIC-NSHDSACASA-N 1 3 243.351 -0.320 20 0 BBADHO COCCNCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000092509790 344297295 /nfs/dbraw/zinc/29/72/95/344297295.db2.gz OESZHZDPQOFIIC-NSHDSACASA-N 1 3 243.351 -0.320 20 0 BBADHO COCC[NH2+]CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000092509812 174331141 /nfs/dbraw/zinc/33/11/41/174331141.db2.gz ZOSWVJRWARMHGQ-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000092509812 174331140 /nfs/dbraw/zinc/33/11/40/174331140.db2.gz ZOSWVJRWARMHGQ-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092509812 174331139 /nfs/dbraw/zinc/33/11/39/174331139.db2.gz ZOSWVJRWARMHGQ-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO COCC[NH2+]CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000092509813 174331438 /nfs/dbraw/zinc/33/14/38/174331438.db2.gz ZOSWVJRWARMHGQ-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000092509813 174331437 /nfs/dbraw/zinc/33/14/37/174331437.db2.gz ZOSWVJRWARMHGQ-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092509813 174331435 /nfs/dbraw/zinc/33/14/35/174331435.db2.gz ZOSWVJRWARMHGQ-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000092510012 344297417 /nfs/dbraw/zinc/29/74/17/344297417.db2.gz WJACVLDSVQVOPZ-NSHDSACASA-N 1 3 243.351 -0.225 20 0 BBADHO COCCNCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000092510015 344297634 /nfs/dbraw/zinc/29/76/34/344297634.db2.gz WJACVLDSVQVOPZ-LLVKDONJSA-N 1 3 243.351 -0.225 20 0 BBADHO COCCNCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000092510623 174331311 /nfs/dbraw/zinc/33/13/11/174331311.db2.gz LPKLHKKLNVDSJJ-LLVKDONJSA-N 1 3 243.351 -0.225 20 0 BBADHO COCCNCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000092510625 174331308 /nfs/dbraw/zinc/33/13/08/174331308.db2.gz LPKLHKKLNVDSJJ-NSHDSACASA-N 1 3 243.351 -0.225 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092956685 343150163 /nfs/dbraw/zinc/15/01/63/343150163.db2.gz WJUZDCOAXAXTFF-GHMZBOCLSA-N 1 3 243.351 -0.321 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092956686 343150252 /nfs/dbraw/zinc/15/02/52/343150252.db2.gz WJUZDCOAXAXTFF-WDEREUQCSA-N 1 3 243.351 -0.321 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092956687 343150287 /nfs/dbraw/zinc/15/02/87/343150287.db2.gz WJUZDCOAXAXTFF-MNOVXSKESA-N 1 3 243.351 -0.321 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092956688 343150227 /nfs/dbraw/zinc/15/02/27/343150227.db2.gz WJUZDCOAXAXTFF-QWRGUYRKSA-N 1 3 243.351 -0.321 20 0 BBADHO CCN1CCC(N(C)C(=O)COCC[NH3+])CC1 ZINC000093230611 488144661 /nfs/dbraw/zinc/14/46/61/488144661.db2.gz JXAYCDYKQUWPSS-UHFFFAOYSA-N 1 3 243.351 -0.096 20 0 BBADHO C[C@@H](CN1CCCCC1)NC(=O)COCC[NH3+] ZINC000093230644 488144506 /nfs/dbraw/zinc/14/45/06/488144506.db2.gz JBYHQMRHZOQNBJ-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO C[C@H](CN1CCCCC1)NC(=O)COCC[NH3+] ZINC000093230645 488144219 /nfs/dbraw/zinc/14/42/19/488144219.db2.gz JBYHQMRHZOQNBJ-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO [NH3+]CCOCC(=O)NCCN1CCCCCC1 ZINC000093231844 488146494 /nfs/dbraw/zinc/14/64/94/488146494.db2.gz VNZXFHVXQVCQGV-UHFFFAOYSA-N 1 3 243.351 -0.046 20 0 BBADHO CC1CCN(CCNC(=O)COCC[NH3+])CC1 ZINC000093231848 488146455 /nfs/dbraw/zinc/14/64/55/488146455.db2.gz SWUKKFMTRBEIMN-UHFFFAOYSA-N 1 3 243.351 -0.190 20 0 BBADHO [NH3+]CCOCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000093232224 488147102 /nfs/dbraw/zinc/14/71/02/488147102.db2.gz ZVLGQGVEPFXPDY-LLVKDONJSA-N 1 3 241.335 -0.342 20 0 BBADHO [NH3+]CCOCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000093232225 488147426 /nfs/dbraw/zinc/14/74/26/488147426.db2.gz ZVLGQGVEPFXPDY-NSHDSACASA-N 1 3 241.335 -0.342 20 0 BBADHO CNC(=O)NC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000093874354 360286006 /nfs/dbraw/zinc/28/60/06/360286006.db2.gz SLCQPQQZYIQPNT-UHFFFAOYSA-N 1 3 244.339 -0.251 20 0 BBADHO CNC(=O)NC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000093874354 360286001 /nfs/dbraw/zinc/28/60/01/360286001.db2.gz SLCQPQQZYIQPNT-UHFFFAOYSA-N 1 3 244.339 -0.251 20 0 BBADHO CNC(=O)NC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000093874354 360285998 /nfs/dbraw/zinc/28/59/98/360285998.db2.gz SLCQPQQZYIQPNT-UHFFFAOYSA-N 1 3 244.339 -0.251 20 0 BBADHO COCCN(C)CCNC(=O)CC1([NH3+])CCC1 ZINC000094295357 487527610 /nfs/dbraw/zinc/52/76/10/487527610.db2.gz YTJQJVXZWQSCAE-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CN(CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000094571635 386458677 /nfs/dbraw/zinc/45/86/77/386458677.db2.gz XCYUUFPTOYEGOS-MNOVXSKESA-N 1 3 241.335 -0.297 20 0 BBADHO CC1(OCC(=O)NC2CCC([NH3+])CC2)CNC1 ZINC000098060189 487717585 /nfs/dbraw/zinc/71/75/85/487717585.db2.gz WVBAXYSOAWPPAC-UHFFFAOYSA-N 1 3 241.335 -0.249 20 0 BBADHO CC[NH+](CC)CCNC(=O)COC1(C)CNC1 ZINC000098061517 487720436 /nfs/dbraw/zinc/72/04/36/487720436.db2.gz SLLQUQYXZYEAAG-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH+](C)CCCCNC(=O)COC1(C)CNC1 ZINC000098061646 487720660 /nfs/dbraw/zinc/72/06/60/487720660.db2.gz KIWIXSHCPKRVBE-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061658 487720233 /nfs/dbraw/zinc/72/02/33/487720233.db2.gz WUUKXHXAZGHTFT-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061658 487720229 /nfs/dbraw/zinc/72/02/29/487720229.db2.gz WUUKXHXAZGHTFT-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061659 487720121 /nfs/dbraw/zinc/72/01/21/487720121.db2.gz WUUKXHXAZGHTFT-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061659 487720117 /nfs/dbraw/zinc/72/01/17/487720117.db2.gz WUUKXHXAZGHTFT-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO CN1CCC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061707 487720030 /nfs/dbraw/zinc/72/00/30/487720030.db2.gz ZOULXGCOXFUOKF-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CN1CCC[C@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061708 487720131 /nfs/dbraw/zinc/72/01/31/487720131.db2.gz ZOULXGCOXFUOKF-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)COC1(C)CNC1 ZINC000098061722 487720060 /nfs/dbraw/zinc/72/00/60/487720060.db2.gz XFDRHPAFPCPXDK-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)COC1(C)CNC1 ZINC000098061723 487720043 /nfs/dbraw/zinc/72/00/43/487720043.db2.gz XFDRHPAFPCPXDK-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO CC(C)[N@@H+](C)CCNC(=O)COC1(C)CNC1 ZINC000098061742 487720293 /nfs/dbraw/zinc/72/02/93/487720293.db2.gz GGBQMGVCOBJWAH-UHFFFAOYSA-N 1 3 243.351 -0.179 20 0 BBADHO CC(C)[N@H+](C)CCNC(=O)COC1(C)CNC1 ZINC000098061742 487720285 /nfs/dbraw/zinc/72/02/85/487720285.db2.gz GGBQMGVCOBJWAH-UHFFFAOYSA-N 1 3 243.351 -0.179 20 0 BBADHO CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210968 323246258 /nfs/dbraw/zinc/24/62/58/323246258.db2.gz HXPVFMGSHGFZPC-UHFFFAOYSA-N 1 3 201.314 -0.042 20 0 BBADHO CCOCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211003 344443675 /nfs/dbraw/zinc/44/36/75/344443675.db2.gz VBVNBAJHDFOAJA-UHFFFAOYSA-N 1 3 245.367 -0.025 20 0 BBADHO CO[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212946 344443695 /nfs/dbraw/zinc/44/36/95/344443695.db2.gz IKBZPBMEZJZHCV-NSHDSACASA-N 1 3 245.367 -0.027 20 0 BBADHO CO[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212950 368246182 /nfs/dbraw/zinc/24/61/82/368246182.db2.gz IKBZPBMEZJZHCV-LLVKDONJSA-N 1 3 245.367 -0.027 20 0 BBADHO COCCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103213037 323245548 /nfs/dbraw/zinc/24/55/48/323245548.db2.gz MBTICEGZJHQBNZ-UHFFFAOYSA-N 1 3 245.367 -0.025 20 0 BBADHO CN(CCC[NH+](C)C)CCn1cc(CN)nn1 ZINC000104197139 410929084 /nfs/dbraw/zinc/92/90/84/410929084.db2.gz QGYJTLVPUUXJID-UHFFFAOYSA-N 1 3 240.355 -0.380 20 0 BBADHO CCN(C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000104381986 388582431 /nfs/dbraw/zinc/58/24/31/388582431.db2.gz AXVAGKNKUGXZPR-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000104445955 176754804 /nfs/dbraw/zinc/75/48/04/176754804.db2.gz UQIDQNBRDQBQQI-YUMQZZPRSA-N 1 3 242.323 -0.371 20 0 BBADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000104445958 384855741 /nfs/dbraw/zinc/85/57/41/384855741.db2.gz UQIDQNBRDQBQQI-SFYZADRCSA-N 1 3 242.323 -0.371 20 0 BBADHO C[C@H](C(=O)NC(N)=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000104445961 384853456 /nfs/dbraw/zinc/85/34/56/384853456.db2.gz UQIDQNBRDQBQQI-JGVFFNPUSA-N 1 3 242.323 -0.371 20 0 BBADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000104445964 384855747 /nfs/dbraw/zinc/85/57/47/384855747.db2.gz UQIDQNBRDQBQQI-HTQZYQBOSA-N 1 3 242.323 -0.371 20 0 BBADHO CC[NH+]1CCC(NC(=O)CNCCOC)CC1 ZINC000105900218 169953137 /nfs/dbraw/zinc/95/31/37/169953137.db2.gz LVXPKIWTOPXXQC-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO O=C1CN(CC[C@@H]2CC[NH2+]C2)CCCN1 ZINC000108325565 592705357 /nfs/dbraw/zinc/70/53/57/592705357.db2.gz STIPWWUTKKUYJL-JTQLQIEISA-N 1 3 211.309 -0.192 20 0 BBADHO O=C1CN(CC[C@H]2CC[NH2+]C2)CCCN1 ZINC000108325567 592705119 /nfs/dbraw/zinc/70/51/19/592705119.db2.gz STIPWWUTKKUYJL-SNVBAGLBSA-N 1 3 211.309 -0.192 20 0 BBADHO CN1CCN(CCN2CC[NH2+]CC2)CC1(C)C ZINC000110720537 411118132 /nfs/dbraw/zinc/11/81/32/411118132.db2.gz FCFYWWNLCXATIT-UHFFFAOYSA-N 1 3 240.395 -0.082 20 0 BBADHO CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000112687621 370344549 /nfs/dbraw/zinc/34/45/49/370344549.db2.gz RGWJMYISXUHFKS-UHFFFAOYSA-N 1 3 216.329 -0.249 20 0 BBADHO CN(C)CCN(CC[NH+](C)C)C(N)=O ZINC000116079248 323203438 /nfs/dbraw/zinc/20/34/38/323203438.db2.gz ICWWRTAZKLRCOD-UHFFFAOYSA-N 1 3 202.302 -0.510 20 0 BBADHO CN(C)CCCS(=O)(=O)N1CCC([NH3+])CC1 ZINC000118862987 411404292 /nfs/dbraw/zinc/40/42/92/411404292.db2.gz RHDRTRQEPHFKFZ-UHFFFAOYSA-N 1 3 249.380 -0.309 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)N[C@H]1CCC[NH2+]C1 ZINC000120210513 343112116 /nfs/dbraw/zinc/11/21/16/343112116.db2.gz KBOGIQWKYVHLQY-QWRGUYRKSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)N[C@@H]1CCC[NH2+]C1 ZINC000120210648 343112200 /nfs/dbraw/zinc/11/22/00/343112200.db2.gz KBOGIQWKYVHLQY-MNOVXSKESA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CNC[C@H]1CCCO1)N[C@H]1CCC[NH2+]C1 ZINC000120210796 343112107 /nfs/dbraw/zinc/11/21/07/343112107.db2.gz KBOGIQWKYVHLQY-WDEREUQCSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CNC[C@H]1CCCO1)N[C@@H]1CCC[NH2+]C1 ZINC000120210933 343112012 /nfs/dbraw/zinc/11/20/12/343112012.db2.gz KBOGIQWKYVHLQY-GHMZBOCLSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(N[C@H]1CCC[NH2+]C1)[C@]1(F)CCNC1 ZINC000120415051 182329472 /nfs/dbraw/zinc/32/94/72/182329472.db2.gz MYCSZAKSIAPKCP-WPRPVWTQSA-N 1 3 215.272 -0.444 20 0 BBADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@]1(F)CCNC1 ZINC000120415225 182295550 /nfs/dbraw/zinc/29/55/50/182295550.db2.gz MYCSZAKSIAPKCP-SCZZXKLOSA-N 1 3 215.272 -0.444 20 0 BBADHO O=C(N[C@H]1CCC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000120415362 182329505 /nfs/dbraw/zinc/32/95/05/182329505.db2.gz MYCSZAKSIAPKCP-WCBMZHEXSA-N 1 3 215.272 -0.444 20 0 BBADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000120415517 182293430 /nfs/dbraw/zinc/29/34/30/182293430.db2.gz MYCSZAKSIAPKCP-PSASIEDQSA-N 1 3 215.272 -0.444 20 0 BBADHO C[C@@H]1OCC[C@H]1NC[C@H](O)C[NH+](C)C ZINC000121054709 385463672 /nfs/dbraw/zinc/46/36/72/385463672.db2.gz CEDLQTSIGDHHDF-LPEHRKFASA-N 1 3 202.298 -0.324 20 0 BBADHO C[C@@H]1OCC[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000121055052 385464557 /nfs/dbraw/zinc/46/45/57/385464557.db2.gz CEDLQTSIGDHHDF-GUBZILKMSA-N 1 3 202.298 -0.324 20 0 BBADHO C[NH2+]CCCNC(=O)CNC[C@@H]1CCCO1 ZINC000121215785 343265617 /nfs/dbraw/zinc/26/56/17/343265617.db2.gz RFCRFGNNVMOQSN-JTQLQIEISA-N 1 3 229.324 -0.519 20 0 BBADHO C[NH2+]CCCNC(=O)CNC[C@H]1CCCO1 ZINC000121215949 343265438 /nfs/dbraw/zinc/26/54/38/343265438.db2.gz RFCRFGNNVMOQSN-SNVBAGLBSA-N 1 3 229.324 -0.519 20 0 BBADHO C[NH2+]CCCNC(=O)[C@]1(F)CCNC1 ZINC000121735606 173348683 /nfs/dbraw/zinc/34/86/83/173348683.db2.gz GCIWZJNUVKGETQ-VIFPVBQESA-N 1 3 203.261 -0.586 20 0 BBADHO C[NH2+]CCCNC(=O)[C@@]1(F)CCNC1 ZINC000121735739 173347836 /nfs/dbraw/zinc/34/78/36/173347836.db2.gz GCIWZJNUVKGETQ-SECBINFHSA-N 1 3 203.261 -0.586 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1CCN1CCOCC1 ZINC000122323196 386742711 /nfs/dbraw/zinc/74/27/11/386742711.db2.gz IBGWZQXXVJZWPW-VXGBXAGGSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@H]1C[C@H](C[NH3+])CN1CCN1CCOCC1 ZINC000122323434 177361709 /nfs/dbraw/zinc/36/17/09/177361709.db2.gz IBGWZQXXVJZWPW-NWDGAFQWSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCN1CCOCC1 ZINC000122323576 176367876 /nfs/dbraw/zinc/36/78/76/176367876.db2.gz IBGWZQXXVJZWPW-NEPJUHHUSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@H]1C[C@@H](C[NH3+])CN1CCN1CCOCC1 ZINC000122323844 177324278 /nfs/dbraw/zinc/32/42/78/177324278.db2.gz IBGWZQXXVJZWPW-RYUDHWBXSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)NC(N)=O ZINC000122343979 386742218 /nfs/dbraw/zinc/74/22/18/386742218.db2.gz WIVIKIVWAHUGHA-HTQZYQBOSA-N 1 3 228.296 -0.760 20 0 BBADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)NC(N)=O ZINC000122344176 177360997 /nfs/dbraw/zinc/36/09/97/177360997.db2.gz WIVIKIVWAHUGHA-JGVFFNPUSA-N 1 3 228.296 -0.760 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)NC(N)=O ZINC000122344374 176367570 /nfs/dbraw/zinc/36/75/70/176367570.db2.gz WIVIKIVWAHUGHA-SFYZADRCSA-N 1 3 228.296 -0.760 20 0 BBADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)NC(N)=O ZINC000122344573 177324172 /nfs/dbraw/zinc/32/41/72/177324172.db2.gz WIVIKIVWAHUGHA-YUMQZZPRSA-N 1 3 228.296 -0.760 20 0 BBADHO CC[C@@H]1CN(CCC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000122743220 363543257 /nfs/dbraw/zinc/54/32/57/363543257.db2.gz DYYDBJXNTOVFCG-BDAKNGLRSA-N 1 3 242.323 -0.369 20 0 BBADHO CC[C@H]1CN(CCC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000122743363 363542894 /nfs/dbraw/zinc/54/28/94/363542894.db2.gz DYYDBJXNTOVFCG-IUCAKERBSA-N 1 3 242.323 -0.369 20 0 BBADHO [NH3+][C@@H](CC(=O)N1CCCNCC1)C1CC1 ZINC000123604480 589757985 /nfs/dbraw/zinc/75/79/85/589757985.db2.gz SUTUDZJZRASMJZ-JTQLQIEISA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+][C@H](CC(=O)N1CCCNCC1)C1CC1 ZINC000123604627 589757957 /nfs/dbraw/zinc/75/79/57/589757957.db2.gz SUTUDZJZRASMJZ-SNVBAGLBSA-N 1 3 211.309 -0.064 20 0 BBADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)NC(N)=O ZINC000123654618 187393310 /nfs/dbraw/zinc/39/33/10/187393310.db2.gz DZTVGLIOBGVOGO-SECBINFHSA-N 1 3 244.339 -0.123 20 0 BBADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)NC(N)=O ZINC000123654827 387590670 /nfs/dbraw/zinc/59/06/70/387590670.db2.gz DZTVGLIOBGVOGO-VIFPVBQESA-N 1 3 244.339 -0.123 20 0 BBADHO COCCNCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000123884411 343512052 /nfs/dbraw/zinc/51/20/52/343512052.db2.gz PWONWSDHFBDUJE-VIFPVBQESA-N 1 3 215.297 -0.909 20 0 BBADHO COCCN(C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000124019726 589905200 /nfs/dbraw/zinc/90/52/00/589905200.db2.gz AFHSNWNZLCYVCZ-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO COCCN(C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000124019938 589905047 /nfs/dbraw/zinc/90/50/47/589905047.db2.gz AFHSNWNZLCYVCZ-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[NH2+]CC(=O)N1CCNC[C@H]1C ZINC000124449513 343557841 /nfs/dbraw/zinc/55/78/41/343557841.db2.gz YNMVNSRXOZPMDA-SECBINFHSA-N 1 3 215.297 -0.957 20 0 BBADHO [NH3+]CCc1cn(CCN2CCCC2)nn1 ZINC000125348962 411364040 /nfs/dbraw/zinc/36/40/40/411364040.db2.gz RGHCLRGPRGGVFH-UHFFFAOYSA-N 1 3 209.297 -0.125 20 0 BBADHO CN(C(=O)[C@]1(F)CCNC1)C1CC[NH2+]CC1 ZINC000125515541 172336346 /nfs/dbraw/zinc/33/63/46/172336346.db2.gz AJCLIEWVZQDFPR-NSHDSACASA-N 1 3 229.299 -0.102 20 0 BBADHO CN(C(=O)[C@@]1(F)CCNC1)C1CC[NH2+]CC1 ZINC000125515793 172331854 /nfs/dbraw/zinc/33/18/54/172331854.db2.gz AJCLIEWVZQDFPR-LLVKDONJSA-N 1 3 229.299 -0.102 20 0 BBADHO COCCCNC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000125525777 634531888 /nfs/dbraw/zinc/53/18/88/634531888.db2.gz OWPWHEIVTRFPIM-NSHDSACASA-N 1 3 243.351 -0.190 20 0 BBADHO COCCCNC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000125526024 634531373 /nfs/dbraw/zinc/53/13/73/634531373.db2.gz OWPWHEIVTRFPIM-LLVKDONJSA-N 1 3 243.351 -0.190 20 0 BBADHO CNC(=O)NC(=O)[C@H](C)N1CC[C@H](CC[NH3+])C1 ZINC000125533150 711794380 /nfs/dbraw/zinc/79/43/80/711794380.db2.gz VKSZYORQMAJTPC-IUCAKERBSA-N 1 3 242.323 -0.499 20 0 BBADHO CNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CC[NH3+])C1 ZINC000125533334 634533161 /nfs/dbraw/zinc/53/31/61/634533161.db2.gz VKSZYORQMAJTPC-BDAKNGLRSA-N 1 3 242.323 -0.499 20 0 BBADHO COCC[NH2+]CC(=O)N1CCNC[C@@H]1C ZINC000125553980 343635433 /nfs/dbraw/zinc/63/54/33/343635433.db2.gz YNMVNSRXOZPMDA-VIFPVBQESA-N 1 3 215.297 -0.957 20 0 BBADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCOCC2)C1 ZINC000125572273 634560905 /nfs/dbraw/zinc/56/09/05/634560905.db2.gz ARPMRGLIGCOPQN-LLVKDONJSA-N 1 3 241.335 -0.484 20 0 BBADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCOCC2)C1 ZINC000125572519 634559484 /nfs/dbraw/zinc/55/94/84/634559484.db2.gz ARPMRGLIGCOPQN-NSHDSACASA-N 1 3 241.335 -0.484 20 0 BBADHO CC(C(=O)NC(C)(C)CC[NH3+])S(C)(=O)=O ZINC000126201917 358547363 /nfs/dbraw/zinc/54/73/63/358547363.db2.gz PQAUKKSFIXJVQL-ZETCQYMHSA-N 1 3 236.337 -0.337 20 0 BBADHO CC(C(=O)NC(C)(C)CC[NH3+])S(C)(=O)=O ZINC000126202187 344171676 /nfs/dbraw/zinc/17/16/76/344171676.db2.gz PQAUKKSFIXJVQL-SSDOTTSWSA-N 1 3 236.337 -0.337 20 0 BBADHO NC1(C(=O)N[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000126371947 181327981 /nfs/dbraw/zinc/32/79/81/181327981.db2.gz NRATVDKGGSBPIL-GFCCVEGCSA-N 1 3 245.326 -0.039 20 0 BBADHO NC1(C(=O)N[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000126372170 181329759 /nfs/dbraw/zinc/32/97/59/181329759.db2.gz NRATVDKGGSBPIL-LBPRGKRZSA-N 1 3 245.326 -0.039 20 0 BBADHO COCCOCCOCCN1CC[C@H](C[NH3+])C1 ZINC000126536042 711768695 /nfs/dbraw/zinc/76/86/95/711768695.db2.gz BRFGMDZINXGMCO-GFCCVEGCSA-N 1 3 246.351 -0.053 20 0 BBADHO COCCOCCOCCN1CC[C@@H](C[NH3+])C1 ZINC000126536285 711768572 /nfs/dbraw/zinc/76/85/72/711768572.db2.gz BRFGMDZINXGMCO-LBPRGKRZSA-N 1 3 246.351 -0.053 20 0 BBADHO O=C(CNC[C@H]1CCCO1)N[C@@H]1CC[NH2+]C1 ZINC000126658494 411450699 /nfs/dbraw/zinc/45/06/99/411450699.db2.gz HSMVMCUIRUEETO-NXEZZACHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)N[C@@H]1CC[NH2+]C1 ZINC000126658759 411451188 /nfs/dbraw/zinc/45/11/88/411451188.db2.gz HSMVMCUIRUEETO-ZJUUUORDSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(CNC[C@H]1CCCO1)N[C@H]1CC[NH2+]C1 ZINC000126658988 388699827 /nfs/dbraw/zinc/69/98/27/388699827.db2.gz HSMVMCUIRUEETO-VHSXEESVSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)N[C@H]1CC[NH2+]C1 ZINC000126659225 388699544 /nfs/dbraw/zinc/69/95/44/388699544.db2.gz HSMVMCUIRUEETO-UWVGGRQHSA-N 1 3 227.308 -0.767 20 0 BBADHO C[N@@H+](CCN1CCOCC1)[C@@H](CN)C1CC1 ZINC000126729012 387050447 /nfs/dbraw/zinc/05/04/47/387050447.db2.gz MCHKXIOZYOOHRJ-LBPRGKRZSA-N 1 3 227.352 -0.012 20 0 BBADHO C[N@H+](CCN1CCOCC1)[C@@H](CN)C1CC1 ZINC000126729012 387050440 /nfs/dbraw/zinc/05/04/40/387050440.db2.gz MCHKXIOZYOOHRJ-LBPRGKRZSA-N 1 3 227.352 -0.012 20 0 BBADHO C[N@@H+](CCN1CCOCC1)[C@H](CN)C1CC1 ZINC000126729203 387050136 /nfs/dbraw/zinc/05/01/36/387050136.db2.gz MCHKXIOZYOOHRJ-GFCCVEGCSA-N 1 3 227.352 -0.012 20 0 BBADHO C[N@H+](CCN1CCOCC1)[C@H](CN)C1CC1 ZINC000126729203 387050131 /nfs/dbraw/zinc/05/01/31/387050131.db2.gz MCHKXIOZYOOHRJ-GFCCVEGCSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)C1(N)CCOCC1 ZINC000127887652 387728756 /nfs/dbraw/zinc/72/87/56/387728756.db2.gz WFIPTZLNRFQNRI-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)C1(N)CCOCC1 ZINC000127887906 387728596 /nfs/dbraw/zinc/72/85/96/387728596.db2.gz WFIPTZLNRFQNRI-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)[C@]1(F)CCNC1 ZINC000127930833 182303661 /nfs/dbraw/zinc/30/36/61/182303661.db2.gz RQJYQFOXSXKDHI-APPZFPTMSA-N 1 3 201.245 -0.834 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)[C@]1(F)CCNC1 ZINC000127931061 353280194 /nfs/dbraw/zinc/28/01/94/353280194.db2.gz RQJYQFOXSXKDHI-CBAPKCEASA-N 1 3 201.245 -0.834 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000127931319 353280056 /nfs/dbraw/zinc/28/00/56/353280056.db2.gz RQJYQFOXSXKDHI-VXNVDRBHSA-N 1 3 201.245 -0.834 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000127931534 182335531 /nfs/dbraw/zinc/33/55/31/182335531.db2.gz RQJYQFOXSXKDHI-IONNQARKSA-N 1 3 201.245 -0.834 20 0 BBADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000128630065 324861347 /nfs/dbraw/zinc/86/13/47/324861347.db2.gz JQLUOBLQIQVPIC-GMTAPVOTSA-N 1 3 241.335 -0.249 20 0 BBADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000128630290 388777071 /nfs/dbraw/zinc/77/70/71/388777071.db2.gz JQLUOBLQIQVPIC-HBNTYKKESA-N 1 3 241.335 -0.249 20 0 BBADHO COCCNCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128834767 388797753 /nfs/dbraw/zinc/79/77/53/388797753.db2.gz JUSUASHZOFSZBN-NXEZZACHSA-N 1 3 229.324 -0.392 20 0 BBADHO CC[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000129066798 343961750 /nfs/dbraw/zinc/96/17/50/343961750.db2.gz LZBKUVYXDLDOFV-SNVBAGLBSA-N 1 3 228.340 -0.865 20 0 BBADHO CCN(C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129218432 384984160 /nfs/dbraw/zinc/98/41/60/384984160.db2.gz DNIFZEZHBHOQQV-VIFPVBQESA-N 1 3 213.325 -0.090 20 0 BBADHO CCN(C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129218668 384985579 /nfs/dbraw/zinc/98/55/79/384985579.db2.gz DNIFZEZHBHOQQV-SECBINFHSA-N 1 3 213.325 -0.090 20 0 BBADHO CC[C@@H](N)C(=O)NCCC[N@@H+](C)CCOC ZINC000130353856 344134329 /nfs/dbraw/zinc/13/43/29/344134329.db2.gz YDLQWDWFIJSHCW-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CC[C@@H](N)C(=O)NCCC[N@H+](C)CCOC ZINC000130353856 344134325 /nfs/dbraw/zinc/13/43/25/344134325.db2.gz YDLQWDWFIJSHCW-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CC[C@@H](N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000130510115 411356860 /nfs/dbraw/zinc/35/68/60/411356860.db2.gz XNTCODNJIGXGDY-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@@H](CN(C)C)NC[C@H](O)C[NH+]1CCCC1 ZINC000130530176 411358861 /nfs/dbraw/zinc/35/88/61/411358861.db2.gz OCEOJNZILWVHMG-RYUDHWBXSA-N 1 3 229.368 -0.017 20 0 BBADHO C[C@@H](CN(C)C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000130530617 410405164 /nfs/dbraw/zinc/40/51/64/410405164.db2.gz OCEOJNZILWVHMG-NWDGAFQWSA-N 1 3 229.368 -0.017 20 0 BBADHO CC[C@@H](N)C(=O)NCC[N@@H+](C)CCCOC ZINC000130552522 344147453 /nfs/dbraw/zinc/14/74/53/344147453.db2.gz RVZRTTGKHQRJPJ-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CC[C@@H](N)C(=O)NCC[N@H+](C)CCCOC ZINC000130552522 344147452 /nfs/dbraw/zinc/14/74/52/344147452.db2.gz RVZRTTGKHQRJPJ-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CC(C(=O)NC[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000130591837 411357723 /nfs/dbraw/zinc/35/77/23/411357723.db2.gz YTLYLMZXBIFETD-IUCAKERBSA-N 1 3 248.348 -0.322 20 0 BBADHO CC(C(=O)NC[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000130592044 411358801 /nfs/dbraw/zinc/35/88/01/411358801.db2.gz YTLYLMZXBIFETD-BDAKNGLRSA-N 1 3 248.348 -0.322 20 0 BBADHO CC(C(=O)NC[C@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000130592269 411358258 /nfs/dbraw/zinc/35/82/58/411358258.db2.gz YTLYLMZXBIFETD-DTWKUNHWSA-N 1 3 248.348 -0.322 20 0 BBADHO CC(C(=O)NC[C@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000130592466 410404819 /nfs/dbraw/zinc/40/48/19/410404819.db2.gz YTLYLMZXBIFETD-RKDXNWHRSA-N 1 3 248.348 -0.322 20 0 BBADHO CC[C@@H](N)C(=O)NCC[NH2+]CCOC ZINC000130627118 344150995 /nfs/dbraw/zinc/15/09/95/344150995.db2.gz ZYUVBEPYWYTZLH-MRVPVSSYSA-N 1 3 203.286 -0.924 20 0 BBADHO CC(C(=O)N[C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000130758450 385060047 /nfs/dbraw/zinc/06/00/47/385060047.db2.gz BTAJLKSHVNYLKM-JGVFFNPUSA-N 1 3 234.321 -0.712 20 0 BBADHO CC(C(=O)N[C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000130758667 385059592 /nfs/dbraw/zinc/05/95/92/385059592.db2.gz BTAJLKSHVNYLKM-HTQZYQBOSA-N 1 3 234.321 -0.712 20 0 BBADHO C[NH2+]CCCNC(=O)C[C@@H]1CSCCN1 ZINC000130922244 344226966 /nfs/dbraw/zinc/22/69/66/344226966.db2.gz UATRCIXOUJADJM-SECBINFHSA-N 1 3 231.365 -0.193 20 0 BBADHO C[NH2+]CCCNC(=O)C[C@H]1CSCCN1 ZINC000130922459 344208792 /nfs/dbraw/zinc/20/87/92/344208792.db2.gz UATRCIXOUJADJM-VIFPVBQESA-N 1 3 231.365 -0.193 20 0 BBADHO O=C(C[C@@H]1CSCCN1)N[C@@H]1CC[NH2+]C1 ZINC000130939323 344226951 /nfs/dbraw/zinc/22/69/51/344226951.db2.gz GGTSNIJHLMMJHP-RKDXNWHRSA-N 1 3 229.349 -0.440 20 0 BBADHO O=C(C[C@@H]1CSCCN1)N[C@H]1CC[NH2+]C1 ZINC000130939518 344227299 /nfs/dbraw/zinc/22/72/99/344227299.db2.gz GGTSNIJHLMMJHP-DTWKUNHWSA-N 1 3 229.349 -0.440 20 0 BBADHO O=C(C[C@H]1CSCCN1)N[C@@H]1CC[NH2+]C1 ZINC000130939732 344226845 /nfs/dbraw/zinc/22/68/45/344226845.db2.gz GGTSNIJHLMMJHP-BDAKNGLRSA-N 1 3 229.349 -0.440 20 0 BBADHO O=C(C[C@H]1CSCCN1)N[C@H]1CC[NH2+]C1 ZINC000130939970 344227015 /nfs/dbraw/zinc/22/70/15/344227015.db2.gz GGTSNIJHLMMJHP-IUCAKERBSA-N 1 3 229.349 -0.440 20 0 BBADHO COCCNCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000131159564 344241664 /nfs/dbraw/zinc/24/16/64/344241664.db2.gz XNRDMSAFWBAAIF-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO C[NH+](C)C[C@H](O)CNCC1(O)CCC1 ZINC000131184393 343182983 /nfs/dbraw/zinc/18/29/83/343182983.db2.gz PWNBYSSAKJAWCD-SECBINFHSA-N 1 3 202.298 -0.587 20 0 BBADHO C[NH+](C)C[C@@H](O)CNCC1(O)CCC1 ZINC000131184615 343183019 /nfs/dbraw/zinc/18/30/19/343183019.db2.gz PWNBYSSAKJAWCD-VIFPVBQESA-N 1 3 202.298 -0.587 20 0 BBADHO CC(C)(C(=O)NCCCC[NH3+])N1CCNCC1 ZINC000131255647 343183219 /nfs/dbraw/zinc/18/32/19/343183219.db2.gz YUAFMJJJWWFYDR-UHFFFAOYSA-N 1 3 242.367 -0.475 20 0 BBADHO CNC(=O)NC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000131574464 173286367 /nfs/dbraw/zinc/28/63/67/173286367.db2.gz ZWRGRTBBVBMDLL-RKDXNWHRSA-N 1 3 242.323 -0.499 20 0 BBADHO CNC(=O)NC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131574655 173286515 /nfs/dbraw/zinc/28/65/15/173286515.db2.gz ZWRGRTBBVBMDLL-DTWKUNHWSA-N 1 3 242.323 -0.499 20 0 BBADHO CNC(=O)NC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000131574879 173286257 /nfs/dbraw/zinc/28/62/57/173286257.db2.gz ZWRGRTBBVBMDLL-BDAKNGLRSA-N 1 3 242.323 -0.499 20 0 BBADHO CNC(=O)NC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000131575085 173286628 /nfs/dbraw/zinc/28/66/28/173286628.db2.gz ZWRGRTBBVBMDLL-IUCAKERBSA-N 1 3 242.323 -0.499 20 0 BBADHO O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000131664248 344321545 /nfs/dbraw/zinc/32/15/45/344321545.db2.gz YKUZZEGXRUXMFY-NSHDSACASA-N 1 3 240.351 -0.850 20 0 BBADHO O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000131664442 344321473 /nfs/dbraw/zinc/32/14/73/344321473.db2.gz YKUZZEGXRUXMFY-LLVKDONJSA-N 1 3 240.351 -0.850 20 0 BBADHO C[NH2+]CCNC(=O)[C@H](N)Cc1ccccc1 ZINC000131794867 325184405 /nfs/dbraw/zinc/18/44/05/325184405.db2.gz VJJMUOLLQLHRJO-LLVKDONJSA-N 1 3 221.304 -0.108 20 0 BBADHO C[NH2+]CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000131795062 325184539 /nfs/dbraw/zinc/18/45/39/325184539.db2.gz VJJMUOLLQLHRJO-NSHDSACASA-N 1 3 221.304 -0.108 20 0 BBADHO CC(C)[NH2+]CCC(=O)N1CCN(C)C[C@@H]1CN ZINC000132017939 343398002 /nfs/dbraw/zinc/39/80/02/343398002.db2.gz VRICOYOEUMSPOH-NSHDSACASA-N 1 3 242.367 -0.524 20 0 BBADHO CC(C)[NH2+]CCC(=O)N1CCN(C)C[C@H]1CN ZINC000132018135 343398026 /nfs/dbraw/zinc/39/80/26/343398026.db2.gz VRICOYOEUMSPOH-LLVKDONJSA-N 1 3 242.367 -0.524 20 0 BBADHO CN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000132018341 343398066 /nfs/dbraw/zinc/39/80/66/343398066.db2.gz YNIVMUXPFJTDGP-GHMZBOCLSA-N 1 3 240.351 -0.913 20 0 BBADHO CN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000132018585 343397956 /nfs/dbraw/zinc/39/79/56/343397956.db2.gz YNIVMUXPFJTDGP-MNOVXSKESA-N 1 3 240.351 -0.913 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CCO1 ZINC000132024991 411744513 /nfs/dbraw/zinc/74/45/13/411744513.db2.gz BYDCOLICBZLHHG-DCAQKATOSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CCO1 ZINC000132025188 411745012 /nfs/dbraw/zinc/74/50/12/411745012.db2.gz BYDCOLICBZLHHG-VWYCJHECSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCCCN2)CCO1 ZINC000132025388 411744378 /nfs/dbraw/zinc/74/43/78/411744378.db2.gz BYDCOLICBZLHHG-GARJFASQSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCCCN2)CCO1 ZINC000132025593 411744752 /nfs/dbraw/zinc/74/47/52/411744752.db2.gz BYDCOLICBZLHHG-OUAUKWLOSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H](CCO)NC[C@H](O)C[NH+]1CCCC1 ZINC000132892331 591747188 /nfs/dbraw/zinc/74/71/88/591747188.db2.gz MZUCRUIPUNSYLE-QWRGUYRKSA-N 1 3 216.325 -0.196 20 0 BBADHO C[C@H](CCO)NC[C@H](O)C[NH+]1CCCC1 ZINC000132892553 591746785 /nfs/dbraw/zinc/74/67/85/591746785.db2.gz MZUCRUIPUNSYLE-MNOVXSKESA-N 1 3 216.325 -0.196 20 0 BBADHO C[C@@H](CCO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000132892755 591746277 /nfs/dbraw/zinc/74/62/77/591746277.db2.gz MZUCRUIPUNSYLE-WDEREUQCSA-N 1 3 216.325 -0.196 20 0 BBADHO C[C@H](CCO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000132893009 591746518 /nfs/dbraw/zinc/74/65/18/591746518.db2.gz MZUCRUIPUNSYLE-GHMZBOCLSA-N 1 3 216.325 -0.196 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132970388 174331002 /nfs/dbraw/zinc/33/10/02/174331002.db2.gz KZTQFLAMGRTWGQ-GHMZBOCLSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132970388 174331000 /nfs/dbraw/zinc/33/10/00/174331000.db2.gz KZTQFLAMGRTWGQ-GHMZBOCLSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132970573 174331673 /nfs/dbraw/zinc/33/16/73/174331673.db2.gz KZTQFLAMGRTWGQ-WDEREUQCSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132970573 174331672 /nfs/dbraw/zinc/33/16/72/174331672.db2.gz KZTQFLAMGRTWGQ-WDEREUQCSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132970795 174330839 /nfs/dbraw/zinc/33/08/39/174330839.db2.gz KZTQFLAMGRTWGQ-MNOVXSKESA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132970795 174330837 /nfs/dbraw/zinc/33/08/37/174330837.db2.gz KZTQFLAMGRTWGQ-MNOVXSKESA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132971010 174331236 /nfs/dbraw/zinc/33/12/36/174331236.db2.gz KZTQFLAMGRTWGQ-QWRGUYRKSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132971010 174331234 /nfs/dbraw/zinc/33/12/34/174331234.db2.gz KZTQFLAMGRTWGQ-QWRGUYRKSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H]1CN(CC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133087160 710967323 /nfs/dbraw/zinc/96/73/23/710967323.db2.gz PZOWRMYNJTUQMC-NXEZZACHSA-N 1 3 213.325 -0.009 20 0 BBADHO C[C@H]1CN(CC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133087374 711558892 /nfs/dbraw/zinc/55/88/92/711558892.db2.gz PZOWRMYNJTUQMC-VHSXEESVSA-N 1 3 213.325 -0.009 20 0 BBADHO CN(C)C[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC000133106437 191036326 /nfs/dbraw/zinc/03/63/26/191036326.db2.gz GPNRZWBUFBVGKX-NSHDSACASA-N 1 3 216.325 -0.121 20 0 BBADHO CN(C)C[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000133106437 191036324 /nfs/dbraw/zinc/03/63/24/191036324.db2.gz GPNRZWBUFBVGKX-NSHDSACASA-N 1 3 216.325 -0.121 20 0 BBADHO CN(C)C[C@H]1CC[N@@H+](CCOCCO)C1 ZINC000133106638 191036761 /nfs/dbraw/zinc/03/67/61/191036761.db2.gz GPNRZWBUFBVGKX-LLVKDONJSA-N 1 3 216.325 -0.121 20 0 BBADHO CN(C)C[C@H]1CC[N@H+](CCOCCO)C1 ZINC000133106638 191036759 /nfs/dbraw/zinc/03/67/59/191036759.db2.gz GPNRZWBUFBVGKX-LLVKDONJSA-N 1 3 216.325 -0.121 20 0 BBADHO CNC(=O)NC(=O)CCN(C)CCC[NH3+] ZINC000133197021 372004588 /nfs/dbraw/zinc/00/45/88/372004588.db2.gz TXYFANWIZZLOSG-UHFFFAOYSA-N 1 3 216.285 -0.887 20 0 BBADHO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1CN ZINC000133231949 173286700 /nfs/dbraw/zinc/28/67/00/173286700.db2.gz LZLJGGJIYAFWFM-MRVPVSSYSA-N 1 3 228.296 -0.745 20 0 BBADHO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1CN ZINC000133231949 173286699 /nfs/dbraw/zinc/28/66/99/173286699.db2.gz LZLJGGJIYAFWFM-MRVPVSSYSA-N 1 3 228.296 -0.745 20 0 BBADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H](O)CN(C)C ZINC000133380538 191106424 /nfs/dbraw/zinc/10/64/24/191106424.db2.gz MUKMVTBIJDXHGF-WOPDTQHZSA-N 1 3 229.368 -0.161 20 0 BBADHO COCCN(C)CCNC(=O)NCC[NH+](C)C ZINC000133594695 325303246 /nfs/dbraw/zinc/30/32/46/325303246.db2.gz GEEGBYFIZDWWCI-UHFFFAOYSA-N 1 3 246.355 -0.575 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000133865456 345161872 /nfs/dbraw/zinc/16/18/72/345161872.db2.gz YOGRJSCXMSKRSD-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000133865647 345161582 /nfs/dbraw/zinc/16/15/82/345161582.db2.gz YOGRJSCXMSKRSD-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000133865840 345161950 /nfs/dbraw/zinc/16/19/50/345161950.db2.gz YOGRJSCXMSKRSD-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000133866034 345162005 /nfs/dbraw/zinc/16/20/05/345162005.db2.gz YOGRJSCXMSKRSD-QWRGUYRKSA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@H](O)CCN(C)CCN1CC[NH2+]CC1 ZINC000134120966 412067374 /nfs/dbraw/zinc/06/73/74/412067374.db2.gz QYLBFWYMZJHTJV-NSHDSACASA-N 1 3 215.341 -0.406 20 0 BBADHO C[C@@H](O)CCN(C)CCN1CC[NH2+]CC1 ZINC000134121186 412070280 /nfs/dbraw/zinc/07/02/80/412070280.db2.gz QYLBFWYMZJHTJV-LLVKDONJSA-N 1 3 215.341 -0.406 20 0 BBADHO CC[C@]1(C(=O)NCCNCCOC)CCC[NH2+]1 ZINC000134622096 386438429 /nfs/dbraw/zinc/43/84/29/386438429.db2.gz LQFXRFNJBDXWGV-GFCCVEGCSA-N 1 3 243.351 -0.129 20 0 BBADHO CC[C@@]1(C(=O)NCCNCCOC)CCC[NH2+]1 ZINC000134622122 171195798 /nfs/dbraw/zinc/19/57/98/171195798.db2.gz LQFXRFNJBDXWGV-LBPRGKRZSA-N 1 3 243.351 -0.129 20 0 BBADHO O[C@H]1CCN(C/C=C/C[N@H+]2CC[C@H](O)C2)C1 ZINC000137030896 386328435 /nfs/dbraw/zinc/32/84/35/386328435.db2.gz ZXSNJCWDOWUDJX-NLMOASMRSA-N 1 3 226.320 -0.324 20 0 BBADHO O[C@H]1CCN(C/C=C/C[N@@H+]2CC[C@H](O)C2)C1 ZINC000137030896 386328426 /nfs/dbraw/zinc/32/84/26/386328426.db2.gz ZXSNJCWDOWUDJX-NLMOASMRSA-N 1 3 226.320 -0.324 20 0 BBADHO [NH3+][C@@H](CNC(=O)CNC[C@H]1CCCO1)C1CC1 ZINC000137516245 345644560 /nfs/dbraw/zinc/64/45/60/345644560.db2.gz KQQPBFJZTATRTD-MNOVXSKESA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@@H](CNC(=O)CNC[C@@H]1CCCO1)C1CC1 ZINC000137516299 345644965 /nfs/dbraw/zinc/64/49/65/345644965.db2.gz KQQPBFJZTATRTD-QWRGUYRKSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@H](CNC(=O)CNC[C@H]1CCCO1)C1CC1 ZINC000137516350 345644612 /nfs/dbraw/zinc/64/46/12/345644612.db2.gz KQQPBFJZTATRTD-GHMZBOCLSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@H](CNC(=O)CNC[C@@H]1CCCO1)C1CC1 ZINC000137516422 345846948 /nfs/dbraw/zinc/84/69/48/345846948.db2.gz KQQPBFJZTATRTD-WDEREUQCSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]CCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000143344674 345898432 /nfs/dbraw/zinc/89/84/32/345898432.db2.gz FSUACALWEPPITO-UHFFFAOYSA-N 1 3 240.351 -0.815 20 0 BBADHO CC[N@@H+](C)CCNC(=O)C1(N)CCOCC1 ZINC000149716870 384945038 /nfs/dbraw/zinc/94/50/38/384945038.db2.gz OACTWFYRVCJAAU-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO CC[N@H+](C)CCNC(=O)C1(N)CCOCC1 ZINC000149716870 384945035 /nfs/dbraw/zinc/94/50/35/384945035.db2.gz OACTWFYRVCJAAU-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)CNCCOC)C1 ZINC000150991506 343304037 /nfs/dbraw/zinc/30/40/37/343304037.db2.gz WRMNQRNHBLJPKY-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)CNCCOC)C1 ZINC000150991546 343304065 /nfs/dbraw/zinc/30/40/65/343304065.db2.gz WRMNQRNHBLJPKY-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000151042817 384537353 /nfs/dbraw/zinc/53/73/53/384537353.db2.gz DLDDZURFONVCEH-KOLCDFICSA-N 1 3 229.299 -0.102 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000151042876 384536046 /nfs/dbraw/zinc/53/60/46/384536046.db2.gz DLDDZURFONVCEH-ONGXEEELSA-N 1 3 229.299 -0.102 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000151042941 384536336 /nfs/dbraw/zinc/53/63/36/384536336.db2.gz DLDDZURFONVCEH-MWLCHTKSSA-N 1 3 229.299 -0.102 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000151042999 384535890 /nfs/dbraw/zinc/53/58/90/384535890.db2.gz DLDDZURFONVCEH-GXSJLCMTSA-N 1 3 229.299 -0.102 20 0 BBADHO C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC000151228394 387810791 /nfs/dbraw/zinc/81/07/91/387810791.db2.gz RINHNTACJNECKZ-VIFPVBQESA-N 1 3 201.314 -0.092 20 0 BBADHO C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000151239001 385096726 /nfs/dbraw/zinc/09/67/26/385096726.db2.gz RINHNTACJNECKZ-SECBINFHSA-N 1 3 201.314 -0.092 20 0 BBADHO C[NH2+]CCNC(=O)CNC[C@@H]1CCCO1 ZINC000151250074 343363734 /nfs/dbraw/zinc/36/37/34/343363734.db2.gz NMEQDPNLDXQKCW-VIFPVBQESA-N 1 3 215.297 -0.909 20 0 BBADHO C[NH2+]CCNC(=O)CNC[C@H]1CCCO1 ZINC000151250141 343363750 /nfs/dbraw/zinc/36/37/50/343363750.db2.gz NMEQDPNLDXQKCW-SECBINFHSA-N 1 3 215.297 -0.909 20 0 BBADHO O[C@H]1CCN(CCOCC[N@H+]2CC[C@H](O)C2)C1 ZINC000151909609 323044054 /nfs/dbraw/zinc/04/40/54/323044054.db2.gz BLKUKMCIJUWVIZ-RYUDHWBXSA-N 1 3 244.335 -0.864 20 0 BBADHO O[C@H]1CCN(CCOCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000151909609 323044053 /nfs/dbraw/zinc/04/40/53/323044053.db2.gz BLKUKMCIJUWVIZ-RYUDHWBXSA-N 1 3 244.335 -0.864 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC000152273935 385041397 /nfs/dbraw/zinc/04/13/97/385041397.db2.gz POJHEFWJUMHNNS-NSHDSACASA-N 1 3 245.367 -0.075 20 0 BBADHO CCN(CC)CC(=O)NCC[NH2+]CCOC ZINC000152292686 385057675 /nfs/dbraw/zinc/05/76/75/385057675.db2.gz OXQZSFDMVCKCDR-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)NCC[NH2+]CCOC ZINC000152295563 385054801 /nfs/dbraw/zinc/05/48/01/385054801.db2.gz YWRRCUNUTQKIKJ-ZJUUUORDSA-N 1 3 231.340 -0.288 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)NCC[NH2+]CCOC ZINC000152295644 385055666 /nfs/dbraw/zinc/05/56/66/385055666.db2.gz YWRRCUNUTQKIKJ-UWVGGRQHSA-N 1 3 231.340 -0.288 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@@H](N)CC(C)C ZINC000152314733 487799982 /nfs/dbraw/zinc/79/99/82/487799982.db2.gz ZTLUQAWJLFYHAW-JTQLQIEISA-N 1 3 231.340 -0.288 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@H](N)CC(C)C ZINC000152314844 487799811 /nfs/dbraw/zinc/79/98/11/487799811.db2.gz ZTLUQAWJLFYHAW-SNVBAGLBSA-N 1 3 231.340 -0.288 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@@H](N)C(C)C ZINC000152330342 353453011 /nfs/dbraw/zinc/45/30/11/353453011.db2.gz RNBUPGIFXZADEI-VIFPVBQESA-N 1 3 217.313 -0.678 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000152347515 344525068 /nfs/dbraw/zinc/52/50/68/344525068.db2.gz POJHEFWJUMHNNS-LLVKDONJSA-N 1 3 245.367 -0.075 20 0 BBADHO COCCNCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000152347896 487875025 /nfs/dbraw/zinc/87/50/25/487875025.db2.gz KIXRNOOHOCTBFE-JTQLQIEISA-N 1 3 229.324 -0.519 20 0 BBADHO COCCNCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000152347986 487874953 /nfs/dbraw/zinc/87/49/53/487874953.db2.gz KIXRNOOHOCTBFE-SNVBAGLBSA-N 1 3 229.324 -0.519 20 0 BBADHO COCCNCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000152348076 323177460 /nfs/dbraw/zinc/17/74/60/323177460.db2.gz JRBGLYQKOURMEE-NSHDSACASA-N 1 3 229.324 -0.662 20 0 BBADHO COCCNCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000152348167 323177385 /nfs/dbraw/zinc/17/73/85/323177385.db2.gz JRBGLYQKOURMEE-LLVKDONJSA-N 1 3 229.324 -0.662 20 0 BBADHO NC1(C(=O)NC2C[NH2+]C2)Cc2ccccc2C1 ZINC000152372829 344533120 /nfs/dbraw/zinc/53/31/20/344533120.db2.gz FBGLQJWHVNNKIG-UHFFFAOYSA-N 1 3 231.299 -0.429 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000152503626 343558581 /nfs/dbraw/zinc/55/85/81/343558581.db2.gz NUGFVZGVLSFWHM-SNVBAGLBSA-N 1 3 229.324 -0.662 20 0 BBADHO COCCNCCNC(=O)CC[NH2+]C(C)C ZINC000152503801 487861443 /nfs/dbraw/zinc/86/14/43/487861443.db2.gz LZFJCVWMRRSYHL-UHFFFAOYSA-N 1 3 231.340 -0.273 20 0 BBADHO CCN(CC)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152571291 324188641 /nfs/dbraw/zinc/18/86/41/324188641.db2.gz IKZXKLCBJJEVKG-LBPRGKRZSA-N 1 3 245.367 -0.243 20 0 BBADHO CCN(CC)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152571380 324188456 /nfs/dbraw/zinc/18/84/56/324188456.db2.gz IKZXKLCBJJEVKG-GFCCVEGCSA-N 1 3 245.367 -0.243 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152933818 323049145 /nfs/dbraw/zinc/04/91/45/323049145.db2.gz OKFPCROBWVBBRP-LBPRGKRZSA-N 1 3 245.367 -0.245 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152933940 398047844 /nfs/dbraw/zinc/04/78/44/398047844.db2.gz OKFPCROBWVBBRP-GFCCVEGCSA-N 1 3 245.367 -0.245 20 0 BBADHO CC[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)N(C)C ZINC000153501293 388979430 /nfs/dbraw/zinc/97/94/30/388979430.db2.gz MIHBIXSJIMUIFU-JQWIXIFHSA-N 1 3 245.367 -0.245 20 0 BBADHO CC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)N(C)C ZINC000153501396 325974964 /nfs/dbraw/zinc/97/49/64/325974964.db2.gz MIHBIXSJIMUIFU-PWSUYJOCSA-N 1 3 245.367 -0.245 20 0 BBADHO CC[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)N(C)C ZINC000153501512 325974950 /nfs/dbraw/zinc/97/49/50/325974950.db2.gz MIHBIXSJIMUIFU-CMPLNLGQSA-N 1 3 245.367 -0.245 20 0 BBADHO CC[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)N(C)C ZINC000153501610 323051942 /nfs/dbraw/zinc/05/19/42/323051942.db2.gz MIHBIXSJIMUIFU-ZYHUDNBSSA-N 1 3 245.367 -0.245 20 0 BBADHO C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)N1 ZINC000153862979 343705599 /nfs/dbraw/zinc/70/55/99/343705599.db2.gz FWTXMYOZPLAWDF-OUAUKWLOSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H](C)N1 ZINC000153863206 343705695 /nfs/dbraw/zinc/70/56/95/343705695.db2.gz FWTXMYOZPLAWDF-GMTAPVOTSA-N 1 3 241.335 -0.426 20 0 BBADHO O=C(CNC1CC1)NCC1CC[NH2+]CC1 ZINC000153907744 343706101 /nfs/dbraw/zinc/70/61/01/343706101.db2.gz RNSKOJPHGOBHAH-UHFFFAOYSA-N 1 3 211.309 -0.146 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000153915177 326119393 /nfs/dbraw/zinc/11/93/93/326119393.db2.gz HKBKDTMDYLKNJH-SNVBAGLBSA-N 1 3 211.309 -0.051 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000153915284 326119598 /nfs/dbraw/zinc/11/95/98/326119598.db2.gz HKBKDTMDYLKNJH-JTQLQIEISA-N 1 3 211.309 -0.051 20 0 BBADHO C[C@@H]1CN(C(=O)C[NH2+]C2CC2)C[C@H](C)N1 ZINC000153921926 343706213 /nfs/dbraw/zinc/70/62/13/343706213.db2.gz PWOUEHHANYLNIO-DTORHVGOSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H]1CN(C(=O)C[NH2+]C2CC2)C[C@H](C)N1 ZINC000153922007 343706347 /nfs/dbraw/zinc/70/63/47/343706347.db2.gz PWOUEHHANYLNIO-IUCAKERBSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H]1CN(C(=O)C[NH2+]C2CC2)C[C@@H](C)N1 ZINC000153922114 343706184 /nfs/dbraw/zinc/70/61/84/343706184.db2.gz PWOUEHHANYLNIO-RKDXNWHRSA-N 1 3 211.309 -0.053 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)CNC1CC1 ZINC000153929633 326120723 /nfs/dbraw/zinc/12/07/23/326120723.db2.gz BSRWXGCKHYNGKQ-JTQLQIEISA-N 1 3 211.309 -0.051 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)CNC1CC1 ZINC000153929720 326120505 /nfs/dbraw/zinc/12/05/05/326120505.db2.gz BSRWXGCKHYNGKQ-SNVBAGLBSA-N 1 3 211.309 -0.051 20 0 BBADHO COCC[NH2+]CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154137979 201263398 /nfs/dbraw/zinc/26/33/98/201263398.db2.gz CVCVJSZRNSGRDP-AOOOYVTPSA-N 1 3 229.324 -0.569 20 0 BBADHO COCC[NH2+]CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000154138084 201264074 /nfs/dbraw/zinc/26/40/74/201264074.db2.gz CVCVJSZRNSGRDP-UWVGGRQHSA-N 1 3 229.324 -0.569 20 0 BBADHO COCC[NH2+]CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000154138182 201262455 /nfs/dbraw/zinc/26/24/55/201262455.db2.gz CVCVJSZRNSGRDP-NXEZZACHSA-N 1 3 229.324 -0.569 20 0 BBADHO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)C)CCN1C ZINC000154248372 201272081 /nfs/dbraw/zinc/27/20/81/201272081.db2.gz GAYLXNMEXHJJRP-UTUOFQBUSA-N 1 3 229.368 -0.019 20 0 BBADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)C)CCN1C ZINC000154248561 201272375 /nfs/dbraw/zinc/27/23/75/201272375.db2.gz GAYLXNMEXHJJRP-WOPDTQHZSA-N 1 3 229.368 -0.019 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H](C)N1 ZINC000154266231 642000087 /nfs/dbraw/zinc/00/00/87/642000087.db2.gz JTZOJGKSRKCADL-NGZCFLSTSA-N 1 3 229.299 -0.103 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H](C)N1 ZINC000154266445 641998562 /nfs/dbraw/zinc/99/85/62/641998562.db2.gz JTZOJGKSRKCADL-KKZNHRDASA-N 1 3 229.299 -0.103 20 0 BBADHO [NH3+]CC1(NC(=O)C[C@@H]2CNCCO2)CCCC1 ZINC000154363536 343714542 /nfs/dbraw/zinc/71/45/42/343714542.db2.gz ZAUGINUUXBPABW-SNVBAGLBSA-N 1 3 241.335 -0.247 20 0 BBADHO [NH3+]CC1(NC(=O)C[C@H]2CNCCO2)CCCC1 ZINC000154363608 343714727 /nfs/dbraw/zinc/71/47/27/343714727.db2.gz ZAUGINUUXBPABW-JTQLQIEISA-N 1 3 241.335 -0.247 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)CNCCOC ZINC000154501534 642113051 /nfs/dbraw/zinc/11/30/51/642113051.db2.gz LCCDWXVOIHEPFT-UHFFFAOYSA-N 1 3 231.340 -0.144 20 0 BBADHO COCCC[N@@H+](C)CCNC(=O)CNC1CC1 ZINC000154669175 343745888 /nfs/dbraw/zinc/74/58/88/343745888.db2.gz RHUYXPUDEQCRQY-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO COCCC[N@H+](C)CCNC(=O)CNC1CC1 ZINC000154669175 343745884 /nfs/dbraw/zinc/74/58/84/343745884.db2.gz RHUYXPUDEQCRQY-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000154694026 326158617 /nfs/dbraw/zinc/15/86/17/326158617.db2.gz WTCDGNXMDNZBQY-VHSXEESVSA-N 1 3 229.324 -0.663 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000154694126 326158699 /nfs/dbraw/zinc/15/86/99/326158699.db2.gz WTCDGNXMDNZBQY-NXEZZACHSA-N 1 3 229.324 -0.663 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000154694235 326158707 /nfs/dbraw/zinc/15/87/07/326158707.db2.gz WTCDGNXMDNZBQY-UWVGGRQHSA-N 1 3 229.324 -0.663 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000154694339 326158435 /nfs/dbraw/zinc/15/84/35/326158435.db2.gz WTCDGNXMDNZBQY-ZJUUUORDSA-N 1 3 229.324 -0.663 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000155237572 344108849 /nfs/dbraw/zinc/10/88/49/344108849.db2.gz QHFUYLQORADBJS-MNOVXSKESA-N 1 3 242.367 -0.619 20 0 BBADHO CN(CCO)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000156947624 385029753 /nfs/dbraw/zinc/02/97/53/385029753.db2.gz WYVDYQCWMNBNPB-LLVKDONJSA-N 1 3 216.325 -0.243 20 0 BBADHO CN(CCO)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000156947624 385029750 /nfs/dbraw/zinc/02/97/50/385029750.db2.gz WYVDYQCWMNBNPB-LLVKDONJSA-N 1 3 216.325 -0.243 20 0 BBADHO CN(CCO)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000156947772 385029207 /nfs/dbraw/zinc/02/92/07/385029207.db2.gz WYVDYQCWMNBNPB-NSHDSACASA-N 1 3 216.325 -0.243 20 0 BBADHO CN(CCO)[C@H]1CCC[N@H+](CCO)CC1 ZINC000156947772 385029200 /nfs/dbraw/zinc/02/92/00/385029200.db2.gz WYVDYQCWMNBNPB-NSHDSACASA-N 1 3 216.325 -0.243 20 0 BBADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[NH3+])C1(C)C ZINC000157074394 343199299 /nfs/dbraw/zinc/19/92/99/343199299.db2.gz OGXMOWPZEPWWAH-SKDRFNHKSA-N 1 3 243.351 -0.016 20 0 BBADHO CCO[C@H]1C[C@](N)(C(=O)NCCC[NH3+])C1(C)C ZINC000157074556 343199400 /nfs/dbraw/zinc/19/94/00/343199400.db2.gz OGXMOWPZEPWWAH-CABZTGNLSA-N 1 3 243.351 -0.016 20 0 BBADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[NH3+])C1(C)C ZINC000157074702 346376894 /nfs/dbraw/zinc/37/68/94/346376894.db2.gz OGXMOWPZEPWWAH-BXKDBHETSA-N 1 3 243.351 -0.016 20 0 BBADHO CCO[C@H]1C[C@@](N)(C(=O)NCCC[NH3+])C1(C)C ZINC000157074846 343199224 /nfs/dbraw/zinc/19/92/24/343199224.db2.gz OGXMOWPZEPWWAH-JOYOIKCWSA-N 1 3 243.351 -0.016 20 0 BBADHO C[C@@H](N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000157315842 326267316 /nfs/dbraw/zinc/26/73/16/326267316.db2.gz FLWYELXCHPHPLZ-GHMZBOCLSA-N 1 3 243.351 -0.457 20 0 BBADHO C[C@@H](N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000157316002 326267457 /nfs/dbraw/zinc/26/74/57/326267457.db2.gz FLWYELXCHPHPLZ-MNOVXSKESA-N 1 3 243.351 -0.457 20 0 BBADHO C[C@H](N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000157316160 346380648 /nfs/dbraw/zinc/38/06/48/346380648.db2.gz FLWYELXCHPHPLZ-WDEREUQCSA-N 1 3 243.351 -0.457 20 0 BBADHO C[C@H](N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000157316314 384801455 /nfs/dbraw/zinc/80/14/55/384801455.db2.gz FLWYELXCHPHPLZ-QWRGUYRKSA-N 1 3 243.351 -0.457 20 0 BBADHO [NH3+][C@@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000158037584 326305747 /nfs/dbraw/zinc/30/57/47/326305747.db2.gz ZEDHDHHRFRASCR-MNOVXSKESA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+][C@@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000158037862 326305629 /nfs/dbraw/zinc/30/56/29/326305629.db2.gz ZEDHDHHRFRASCR-GHMZBOCLSA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000158079958 385334978 /nfs/dbraw/zinc/33/49/78/385334978.db2.gz NKGXPEFMMNCFTH-NGZCFLSTSA-N 1 3 229.299 -0.068 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000158080260 385334426 /nfs/dbraw/zinc/33/44/26/385334426.db2.gz NKGXPEFMMNCFTH-QXEWZRGKSA-N 1 3 229.299 -0.068 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000158236105 487949906 /nfs/dbraw/zinc/94/99/06/487949906.db2.gz VCATYGCRRFHQPG-ZYHUDNBSSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000158236235 487949850 /nfs/dbraw/zinc/94/98/50/487949850.db2.gz VCATYGCRRFHQPG-PWSUYJOCSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000158236363 487949843 /nfs/dbraw/zinc/94/98/43/487949843.db2.gz VCATYGCRRFHQPG-CMPLNLGQSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000158236505 487949882 /nfs/dbraw/zinc/94/98/82/487949882.db2.gz VCATYGCRRFHQPG-JQWIXIFHSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C(=O)N[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000158355757 345322943 /nfs/dbraw/zinc/32/29/43/345322943.db2.gz BTAJLKSHVNYLKM-YUMQZZPRSA-N 1 3 234.321 -0.712 20 0 BBADHO CC(C(=O)N[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000158355901 359067767 /nfs/dbraw/zinc/06/77/67/359067767.db2.gz BTAJLKSHVNYLKM-SFYZADRCSA-N 1 3 234.321 -0.712 20 0 BBADHO CC[NH2+]CCCNC(=O)C(C)S(C)(=O)=O ZINC000158383451 359685944 /nfs/dbraw/zinc/68/59/44/359685944.db2.gz FFSRKHCMRUIYEG-MRVPVSSYSA-N 1 3 236.337 -0.465 20 0 BBADHO CC[NH2+]CCCNC(=O)C(C)S(C)(=O)=O ZINC000158383579 343200739 /nfs/dbraw/zinc/20/07/39/343200739.db2.gz FFSRKHCMRUIYEG-QMMMGPOBSA-N 1 3 236.337 -0.465 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000158398748 345328486 /nfs/dbraw/zinc/32/84/86/345328486.db2.gz LJUYBWFPQJEHKJ-IUCAKERBSA-N 1 3 248.348 -0.370 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000158398900 345328668 /nfs/dbraw/zinc/32/86/68/345328668.db2.gz LJUYBWFPQJEHKJ-BDAKNGLRSA-N 1 3 248.348 -0.370 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000158399040 345328675 /nfs/dbraw/zinc/32/86/75/345328675.db2.gz LJUYBWFPQJEHKJ-DTWKUNHWSA-N 1 3 248.348 -0.370 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000158399187 345328534 /nfs/dbraw/zinc/32/85/34/345328534.db2.gz LJUYBWFPQJEHKJ-RKDXNWHRSA-N 1 3 248.348 -0.370 20 0 BBADHO CC(C(=O)NC[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000158401089 360503208 /nfs/dbraw/zinc/50/32/08/360503208.db2.gz KRSFKHKOIRFVLI-YUMQZZPRSA-N 1 3 234.321 -0.712 20 0 BBADHO CC(C(=O)NC[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000158401236 345788721 /nfs/dbraw/zinc/78/87/21/345788721.db2.gz KRSFKHKOIRFVLI-SFYZADRCSA-N 1 3 234.321 -0.712 20 0 BBADHO CC(C(=O)NC[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000158401391 350758598 /nfs/dbraw/zinc/75/85/98/350758598.db2.gz KRSFKHKOIRFVLI-JGVFFNPUSA-N 1 3 234.321 -0.712 20 0 BBADHO CC(C(=O)NC[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000158401561 342691636 /nfs/dbraw/zinc/69/16/36/342691636.db2.gz KRSFKHKOIRFVLI-HTQZYQBOSA-N 1 3 234.321 -0.712 20 0 BBADHO CC(C(=O)N(C)[C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000158404313 343563972 /nfs/dbraw/zinc/56/39/72/343563972.db2.gz LQSIOSVSBXLNAH-JGVFFNPUSA-N 1 3 234.321 -0.760 20 0 BBADHO CC(C(=O)N(C)[C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000158404449 361192603 /nfs/dbraw/zinc/19/26/03/361192603.db2.gz LQSIOSVSBXLNAH-HTQZYQBOSA-N 1 3 234.321 -0.760 20 0 BBADHO CC(C(=O)N(C)[C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000158404580 361192415 /nfs/dbraw/zinc/19/24/15/361192415.db2.gz LQSIOSVSBXLNAH-YUMQZZPRSA-N 1 3 234.321 -0.760 20 0 BBADHO CC(C(=O)N(C)[C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000158404722 361192758 /nfs/dbraw/zinc/19/27/58/361192758.db2.gz LQSIOSVSBXLNAH-SFYZADRCSA-N 1 3 234.321 -0.760 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000158405580 361192084 /nfs/dbraw/zinc/19/20/84/361192084.db2.gz JQWXWAHVKNBJDZ-JGVFFNPUSA-N 1 3 236.337 -0.609 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000158405725 361192198 /nfs/dbraw/zinc/19/21/98/361192198.db2.gz JQWXWAHVKNBJDZ-HTQZYQBOSA-N 1 3 236.337 -0.609 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000158405874 387945640 /nfs/dbraw/zinc/94/56/40/387945640.db2.gz JQWXWAHVKNBJDZ-YUMQZZPRSA-N 1 3 236.337 -0.609 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000158406003 345332860 /nfs/dbraw/zinc/33/28/60/345332860.db2.gz JQWXWAHVKNBJDZ-SFYZADRCSA-N 1 3 236.337 -0.609 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(C)S(C)(=O)=O ZINC000158439431 345334362 /nfs/dbraw/zinc/33/43/62/345334362.db2.gz HWOWVCPKPCUHHD-DTWKUNHWSA-N 1 3 248.348 -0.370 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(C)S(C)(=O)=O ZINC000158439563 345334540 /nfs/dbraw/zinc/33/45/40/345334540.db2.gz HWOWVCPKPCUHHD-RKDXNWHRSA-N 1 3 248.348 -0.370 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(C)S(C)(=O)=O ZINC000158439706 345334674 /nfs/dbraw/zinc/33/46/74/345334674.db2.gz HWOWVCPKPCUHHD-IUCAKERBSA-N 1 3 248.348 -0.370 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(C)S(C)(=O)=O ZINC000158439842 384231166 /nfs/dbraw/zinc/23/11/66/384231166.db2.gz HWOWVCPKPCUHHD-BDAKNGLRSA-N 1 3 248.348 -0.370 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158472555 398332648 /nfs/dbraw/zinc/33/26/48/398332648.db2.gz CJIYGRKIISVRND-ONGXEEELSA-N 1 3 211.309 -0.064 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158472690 398332682 /nfs/dbraw/zinc/33/26/82/398332682.db2.gz CJIYGRKIISVRND-GXSJLCMTSA-N 1 3 211.309 -0.064 20 0 BBADHO COCCNCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158512583 344299523 /nfs/dbraw/zinc/29/95/23/344299523.db2.gz CPPIMWFZTAXPEE-SECBINFHSA-N 1 3 215.297 -0.828 20 0 BBADHO [NH3+][C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000158600040 361205262 /nfs/dbraw/zinc/20/52/62/361205262.db2.gz VQEJPXIYBZDYPB-WPRPVWTQSA-N 1 3 215.272 -0.362 20 0 BBADHO [NH3+][C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000158600200 361205671 /nfs/dbraw/zinc/20/56/71/361205671.db2.gz VQEJPXIYBZDYPB-SCZZXKLOSA-N 1 3 215.272 -0.362 20 0 BBADHO [NH3+][C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000158600330 361205065 /nfs/dbraw/zinc/20/50/65/361205065.db2.gz VQEJPXIYBZDYPB-WCBMZHEXSA-N 1 3 215.272 -0.362 20 0 BBADHO [NH3+][C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000158600441 361205023 /nfs/dbraw/zinc/20/50/23/361205023.db2.gz VQEJPXIYBZDYPB-PSASIEDQSA-N 1 3 215.272 -0.362 20 0 BBADHO CCC[NH2+]CCNC(=O)C(C)S(C)(=O)=O ZINC000158758065 361210811 /nfs/dbraw/zinc/21/08/11/361210811.db2.gz USWRLXXKOZKTOT-MRVPVSSYSA-N 1 3 236.337 -0.465 20 0 BBADHO CCC[NH2+]CCNC(=O)C(C)S(C)(=O)=O ZINC000158758199 361211649 /nfs/dbraw/zinc/21/16/49/361211649.db2.gz USWRLXXKOZKTOT-QMMMGPOBSA-N 1 3 236.337 -0.465 20 0 BBADHO CC(C(=O)NCC[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000159242387 345417519 /nfs/dbraw/zinc/41/75/19/345417519.db2.gz DUYMVIYYINIVFL-DTWKUNHWSA-N 1 3 248.348 -0.322 20 0 BBADHO CC(C(=O)NCC[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000159242509 345417723 /nfs/dbraw/zinc/41/77/23/345417723.db2.gz DUYMVIYYINIVFL-RKDXNWHRSA-N 1 3 248.348 -0.322 20 0 BBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC[NH3+] ZINC000160353866 343203502 /nfs/dbraw/zinc/20/35/02/343203502.db2.gz KQMZXJLAXJSEPM-SBMIAAHKSA-N 1 3 241.335 -0.406 20 0 BBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCC[NH3+] ZINC000160354101 343203522 /nfs/dbraw/zinc/20/35/22/343203522.db2.gz KQMZXJLAXJSEPM-LNLATYFQSA-N 1 3 241.335 -0.406 20 0 BBADHO C[C@@H](CNC(=O)COCC[NH3+])N1CCCC1 ZINC000161096090 487601080 /nfs/dbraw/zinc/60/10/80/487601080.db2.gz SAOCDQAIQORDIB-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO C[C@H](CNC(=O)COCC[NH3+])N1CCCC1 ZINC000161096215 487476094 /nfs/dbraw/zinc/47/60/94/487476094.db2.gz SAOCDQAIQORDIB-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO CO[C@H]1CC[N@@H+](CCC(=O)N(C)C)[C@@H](CN)C1 ZINC000161189635 343204831 /nfs/dbraw/zinc/20/48/31/343204831.db2.gz PRDGGXFRXVUDBF-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H]1CC[N@H+](CCC(=O)N(C)C)[C@@H](CN)C1 ZINC000161189635 343204830 /nfs/dbraw/zinc/20/48/30/343204830.db2.gz PRDGGXFRXVUDBF-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H]1CC[N@@H+](CCC(=O)N(C)C)[C@@H](CN)C1 ZINC000161189765 343204894 /nfs/dbraw/zinc/20/48/94/343204894.db2.gz PRDGGXFRXVUDBF-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H]1CC[N@H+](CCC(=O)N(C)C)[C@@H](CN)C1 ZINC000161189765 343204891 /nfs/dbraw/zinc/20/48/91/343204891.db2.gz PRDGGXFRXVUDBF-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO COCCNCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000162037828 487607417 /nfs/dbraw/zinc/60/74/17/487607417.db2.gz MKAWNXAAAXRWRT-VHSXEESVSA-N 1 3 229.324 -0.392 20 0 BBADHO COCCNCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000162037947 490136695 /nfs/dbraw/zinc/13/66/95/490136695.db2.gz MKAWNXAAAXRWRT-UWVGGRQHSA-N 1 3 229.324 -0.392 20 0 BBADHO COCCNCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000162038050 490136680 /nfs/dbraw/zinc/13/66/80/490136680.db2.gz MKAWNXAAAXRWRT-NXEZZACHSA-N 1 3 229.324 -0.392 20 0 BBADHO COCCNCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000162038164 490136820 /nfs/dbraw/zinc/13/68/20/490136820.db2.gz MKAWNXAAAXRWRT-ZJUUUORDSA-N 1 3 229.324 -0.392 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000162259610 487546651 /nfs/dbraw/zinc/54/66/51/487546651.db2.gz PFIXVKAELXPYLI-SNVBAGLBSA-N 1 3 242.367 -0.619 20 0 BBADHO CC(C)N(C)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162275930 387335299 /nfs/dbraw/zinc/33/52/99/387335299.db2.gz KPNUXACFGUPENN-NSHDSACASA-N 1 3 242.367 -0.572 20 0 BBADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[NH3+])C1(C)C ZINC000162529001 323624031 /nfs/dbraw/zinc/62/40/31/323624031.db2.gz CAMMRPXPVDTWOL-KCJUWKMLSA-N 1 3 229.324 -0.406 20 0 BBADHO CCO[C@H]1C[C@](N)(C(=O)NCC[NH3+])C1(C)C ZINC000162529102 387409319 /nfs/dbraw/zinc/40/93/19/387409319.db2.gz CAMMRPXPVDTWOL-KWQFWETISA-N 1 3 229.324 -0.406 20 0 BBADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[NH3+])C1(C)C ZINC000162529212 387410751 /nfs/dbraw/zinc/41/07/51/387410751.db2.gz CAMMRPXPVDTWOL-LDYMZIIASA-N 1 3 229.324 -0.406 20 0 BBADHO CCO[C@H]1C[C@@](N)(C(=O)NCC[NH3+])C1(C)C ZINC000162529293 387410916 /nfs/dbraw/zinc/41/09/16/387410916.db2.gz CAMMRPXPVDTWOL-GZMMTYOYSA-N 1 3 229.324 -0.406 20 0 BBADHO CN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000162619633 346530733 /nfs/dbraw/zinc/53/07/33/346530733.db2.gz HDPGPRHRBGJSII-WDEREUQCSA-N 1 3 240.351 -0.770 20 0 BBADHO CN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000162619769 346530714 /nfs/dbraw/zinc/53/07/14/346530714.db2.gz HDPGPRHRBGJSII-QWRGUYRKSA-N 1 3 240.351 -0.770 20 0 BBADHO CN1CCN(C(=O)CC2([NH3+])CCC2)[C@H](CN)C1 ZINC000162637674 487601488 /nfs/dbraw/zinc/60/14/88/487601488.db2.gz FREYJHVFBVYVHG-SNVBAGLBSA-N 1 3 240.351 -0.641 20 0 BBADHO CN1CCN(C(=O)CC2([NH3+])CCC2)[C@@H](CN)C1 ZINC000162637816 487601614 /nfs/dbraw/zinc/60/16/14/487601614.db2.gz FREYJHVFBVYVHG-JTQLQIEISA-N 1 3 240.351 -0.641 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000162869792 324129085 /nfs/dbraw/zinc/12/90/85/324129085.db2.gz MCWBBTNZLURWRB-WDEREUQCSA-N 1 3 243.351 -0.001 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000162869905 324129024 /nfs/dbraw/zinc/12/90/24/324129024.db2.gz MCWBBTNZLURWRB-GHMZBOCLSA-N 1 3 243.351 -0.001 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000162870028 324129175 /nfs/dbraw/zinc/12/91/75/324129175.db2.gz MCWBBTNZLURWRB-QWRGUYRKSA-N 1 3 243.351 -0.001 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000162870150 324129146 /nfs/dbraw/zinc/12/91/46/324129146.db2.gz MCWBBTNZLURWRB-MNOVXSKESA-N 1 3 243.351 -0.001 20 0 BBADHO CNC(=O)NC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000163215984 173286646 /nfs/dbraw/zinc/28/66/46/173286646.db2.gz QISWTJLHLHZHNX-DTWKUNHWSA-N 1 3 242.323 -0.499 20 0 BBADHO CNC(=O)NC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163216072 173286296 /nfs/dbraw/zinc/28/62/96/173286296.db2.gz QISWTJLHLHZHNX-RKDXNWHRSA-N 1 3 242.323 -0.499 20 0 BBADHO CNC(=O)NC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000163216186 173286584 /nfs/dbraw/zinc/28/65/84/173286584.db2.gz QISWTJLHLHZHNX-IUCAKERBSA-N 1 3 242.323 -0.499 20 0 BBADHO CNC(=O)NC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163216269 173286488 /nfs/dbraw/zinc/28/64/88/173286488.db2.gz QISWTJLHLHZHNX-BDAKNGLRSA-N 1 3 242.323 -0.499 20 0 BBADHO C[NH2+]CCN(C)C(=O)[C@H](N)CCSC ZINC000163620846 388365901 /nfs/dbraw/zinc/36/59/01/388365901.db2.gz LUYDCTXZIAYNTO-MRVPVSSYSA-N 1 3 219.354 -0.255 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164512932 135387853 /nfs/dbraw/zinc/38/78/53/135387853.db2.gz IUIYOHCZPWGMOW-JTQLQIEISA-N 1 3 243.351 -0.464 20 0 BBADHO COCCN(C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164513045 135387807 /nfs/dbraw/zinc/38/78/07/135387807.db2.gz IUIYOHCZPWGMOW-SNVBAGLBSA-N 1 3 243.351 -0.464 20 0 BBADHO COCC[N@@H+](C)CCCNC(=O)[C@H](C)N ZINC000165305388 361837848 /nfs/dbraw/zinc/83/78/48/361837848.db2.gz VADKFAKVTBNVGC-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO COCC[N@H+](C)CCCNC(=O)[C@H](C)N ZINC000165305388 361837845 /nfs/dbraw/zinc/83/78/45/361837845.db2.gz VADKFAKVTBNVGC-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO COCC[N@@H+](C)CCCNC(=O)[C@@H](C)N ZINC000165305472 358435057 /nfs/dbraw/zinc/43/50/57/358435057.db2.gz VADKFAKVTBNVGC-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO COCC[N@H+](C)CCCNC(=O)[C@@H](C)N ZINC000165305472 358435056 /nfs/dbraw/zinc/43/50/56/358435056.db2.gz VADKFAKVTBNVGC-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO CC[C@H](N)C(=O)NCCC[N@@H+](C)CCOC ZINC000165306369 353294480 /nfs/dbraw/zinc/29/44/80/353294480.db2.gz YDLQWDWFIJSHCW-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO CC[C@H](N)C(=O)NCCC[N@H+](C)CCOC ZINC000165306369 353294477 /nfs/dbraw/zinc/29/44/77/353294477.db2.gz YDLQWDWFIJSHCW-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO COCCN(C)CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000165307571 353294810 /nfs/dbraw/zinc/29/48/10/353294810.db2.gz CFMVABSQLLVKRK-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCN(C)CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000165307695 353294746 /nfs/dbraw/zinc/29/47/46/353294746.db2.gz CFMVABSQLLVKRK-NSHDSACASA-N 1 3 243.351 -0.320 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165429709 353348383 /nfs/dbraw/zinc/34/83/83/353348383.db2.gz HZJHONSQMSTOFB-VHSXEESVSA-N 1 3 231.340 -0.336 20 0 BBADHO COCCN(C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165429845 353348569 /nfs/dbraw/zinc/34/85/69/353348569.db2.gz HZJHONSQMSTOFB-NXEZZACHSA-N 1 3 231.340 -0.336 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000165429979 353348375 /nfs/dbraw/zinc/34/83/75/353348375.db2.gz HZJHONSQMSTOFB-UWVGGRQHSA-N 1 3 231.340 -0.336 20 0 BBADHO COCCN(C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000165430111 353348516 /nfs/dbraw/zinc/34/85/16/353348516.db2.gz HZJHONSQMSTOFB-ZJUUUORDSA-N 1 3 231.340 -0.336 20 0 BBADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H](F)CN1 ZINC000165616771 361843502 /nfs/dbraw/zinc/84/35/02/361843502.db2.gz LKMRTNMGXLVBTK-DJLDLDEBSA-N 1 3 215.272 -0.445 20 0 BBADHO C[NH+](C)CCCNC(=O)COC1(C)CNC1 ZINC000165852462 487630657 /nfs/dbraw/zinc/63/06/57/487630657.db2.gz JXRHKGLWLCWPGF-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO C[C@@H](CNC(=O)COC1(C)CNC1)[NH+](C)C ZINC000165853134 488046688 /nfs/dbraw/zinc/04/66/88/488046688.db2.gz MVSRTTQKZSMLRZ-VIFPVBQESA-N 1 3 229.324 -0.569 20 0 BBADHO C[C@H](CNC(=O)COC1(C)CNC1)[NH+](C)C ZINC000165853253 488046478 /nfs/dbraw/zinc/04/64/78/488046478.db2.gz MVSRTTQKZSMLRZ-SECBINFHSA-N 1 3 229.324 -0.569 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000166219467 136310182 /nfs/dbraw/zinc/31/01/82/136310182.db2.gz BVBXATCPSFFJDR-NWDGAFQWSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000166219585 136309909 /nfs/dbraw/zinc/30/99/09/136309909.db2.gz BVBXATCPSFFJDR-VXGBXAGGSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(CCN2CCOCC2)C1 ZINC000166219697 136310082 /nfs/dbraw/zinc/31/00/82/136310082.db2.gz BVBXATCPSFFJDR-RYUDHWBXSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCN(CCN2CCOCC2)C1 ZINC000166219816 136310645 /nfs/dbraw/zinc/31/06/45/136310645.db2.gz BVBXATCPSFFJDR-NEPJUHHUSA-N 1 3 227.352 -0.012 20 0 BBADHO CC[N@@H+](C)CCNC(=O)CNC[C@@H]1CCCO1 ZINC000166289165 387619349 /nfs/dbraw/zinc/61/93/49/387619349.db2.gz ZJPFWCPGIQAFJP-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO CC[N@H+](C)CCNC(=O)CNC[C@@H]1CCCO1 ZINC000166289165 387619344 /nfs/dbraw/zinc/61/93/44/387619344.db2.gz ZJPFWCPGIQAFJP-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO CC[N@@H+](C)CCNC(=O)CNC[C@H]1CCCO1 ZINC000166289287 203387964 /nfs/dbraw/zinc/38/79/64/203387964.db2.gz ZJPFWCPGIQAFJP-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO CC[N@H+](C)CCNC(=O)CNC[C@H]1CCCO1 ZINC000166289287 203387961 /nfs/dbraw/zinc/38/79/61/203387961.db2.gz ZJPFWCPGIQAFJP-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO CCN(C)CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000166289712 355354928 /nfs/dbraw/zinc/35/49/28/355354928.db2.gz CTPQZEBMVVPOES-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000167265399 136245092 /nfs/dbraw/zinc/24/50/92/136245092.db2.gz JRSIKNPPWMCPJI-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)CCC[NH3+] ZINC000167265509 136245202 /nfs/dbraw/zinc/24/52/02/136245202.db2.gz JRSIKNPPWMCPJI-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO CO[C@H](C)[C@H](C)NC[C@H](O)C[NH+](C)C ZINC000167428130 385313695 /nfs/dbraw/zinc/31/36/95/385313695.db2.gz NUSZESGLKIOOIR-AEJSXWLSSA-N 1 3 204.314 -0.078 20 0 BBADHO CO[C@H](C)[C@@H](C)NC[C@H](O)C[NH+](C)C ZINC000167428229 361865325 /nfs/dbraw/zinc/86/53/25/361865325.db2.gz NUSZESGLKIOOIR-BBBLOLIVSA-N 1 3 204.314 -0.078 20 0 BBADHO CCN1CCC([NH2+]C[C@H](O)CN(C)C)CC1 ZINC000167428949 385313105 /nfs/dbraw/zinc/31/31/05/385313105.db2.gz XRIMFGZPBUHSQE-LBPRGKRZSA-N 1 3 229.368 -0.017 20 0 BBADHO CCN1CCC([NH2+]C[C@@H](O)CN(C)C)CC1 ZINC000167429068 355993629 /nfs/dbraw/zinc/99/36/29/355993629.db2.gz XRIMFGZPBUHSQE-GFCCVEGCSA-N 1 3 229.368 -0.017 20 0 BBADHO COC[C@H](NC[C@@H](O)C[NH+](C)C)C1CC1 ZINC000167432329 361866171 /nfs/dbraw/zinc/86/61/71/361866171.db2.gz WCJVQAAOKXPALH-MNOVXSKESA-N 1 3 216.325 -0.077 20 0 BBADHO COC[C@H](NC[C@H](O)C[NH+](C)C)C1CC1 ZINC000167432435 361866020 /nfs/dbraw/zinc/86/60/20/361866020.db2.gz WCJVQAAOKXPALH-QWRGUYRKSA-N 1 3 216.325 -0.077 20 0 BBADHO COC[C@@H](NC[C@@H](O)C[NH+](C)C)C1CC1 ZINC000167432548 361866189 /nfs/dbraw/zinc/86/61/89/361866189.db2.gz WCJVQAAOKXPALH-GHMZBOCLSA-N 1 3 216.325 -0.077 20 0 BBADHO COC[C@@H](NC[C@H](O)C[NH+](C)C)C1CC1 ZINC000167432644 361865440 /nfs/dbraw/zinc/86/54/40/361865440.db2.gz WCJVQAAOKXPALH-WDEREUQCSA-N 1 3 216.325 -0.077 20 0 BBADHO C[NH2+]CCCN(C)C(=O)C(C)S(C)(=O)=O ZINC000167636897 343209383 /nfs/dbraw/zinc/20/93/83/343209383.db2.gz SFYXQRVOUUTQRV-QMMMGPOBSA-N 1 3 236.337 -0.513 20 0 BBADHO C[NH2+]CCCN(C)C(=O)C(C)S(C)(=O)=O ZINC000167636998 343209357 /nfs/dbraw/zinc/20/93/57/343209357.db2.gz SFYXQRVOUUTQRV-MRVPVSSYSA-N 1 3 236.337 -0.513 20 0 BBADHO CC(C(=O)N[C@H]1C[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000167653836 134153371 /nfs/dbraw/zinc/15/33/71/134153371.db2.gz OTYVYNRIYUAMHJ-HLTSFMKQSA-N 1 3 248.348 -0.466 20 0 BBADHO CC(C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000167654049 134153147 /nfs/dbraw/zinc/15/31/47/134153147.db2.gz OTYVYNRIYUAMHJ-IWSPIJDZSA-N 1 3 248.348 -0.466 20 0 BBADHO CC(C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000167654288 206022551 /nfs/dbraw/zinc/02/25/51/206022551.db2.gz FTAVVJQWZWXAIS-IWSPIJDZSA-N 1 3 248.348 -0.324 20 0 BBADHO CC(C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)S(C)(=O)=O ZINC000167655181 384929729 /nfs/dbraw/zinc/92/97/29/384929729.db2.gz SIYYFBPJTDLRTQ-HLTSFMKQSA-N 1 3 248.348 -0.324 20 0 BBADHO CC(C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)S(C)(=O)=O ZINC000167655406 384929886 /nfs/dbraw/zinc/92/98/86/384929886.db2.gz SIYYFBPJTDLRTQ-IWSPIJDZSA-N 1 3 248.348 -0.324 20 0 BBADHO C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000167658632 488183434 /nfs/dbraw/zinc/18/34/34/488183434.db2.gz VZXIKXFEZRUADD-WCBMZHEXSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000167658632 488183430 /nfs/dbraw/zinc/18/34/30/488183430.db2.gz VZXIKXFEZRUADD-WCBMZHEXSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000167658745 487855410 /nfs/dbraw/zinc/85/54/10/487855410.db2.gz VZXIKXFEZRUADD-PSASIEDQSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000167658745 487855407 /nfs/dbraw/zinc/85/54/07/487855407.db2.gz VZXIKXFEZRUADD-PSASIEDQSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000167658854 488183577 /nfs/dbraw/zinc/18/35/77/488183577.db2.gz VZXIKXFEZRUADD-WPRPVWTQSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000167658854 488183573 /nfs/dbraw/zinc/18/35/73/488183573.db2.gz VZXIKXFEZRUADD-WPRPVWTQSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000167658966 488183298 /nfs/dbraw/zinc/18/32/98/488183298.db2.gz VZXIKXFEZRUADD-SCZZXKLOSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000167658966 488183294 /nfs/dbraw/zinc/18/32/94/488183294.db2.gz VZXIKXFEZRUADD-SCZZXKLOSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[NH+](CC)CCN(CCOC)C(=O)CN ZINC000167674473 134153912 /nfs/dbraw/zinc/15/39/12/134153912.db2.gz XMLUGMZVBZSXSC-UHFFFAOYSA-N 1 3 231.340 -0.238 20 0 BBADHO COC[C@@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167678931 636264782 /nfs/dbraw/zinc/26/47/82/636264782.db2.gz XCAJHMOZGXTPEU-VWYCJHECSA-N 1 3 216.325 -0.090 20 0 BBADHO COC[C@@H](O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167679022 633132075 /nfs/dbraw/zinc/13/20/75/633132075.db2.gz XCAJHMOZGXTPEU-DCAQKATOSA-N 1 3 216.325 -0.090 20 0 BBADHO CC(C(=O)NCCC[NH2+]C1CC1)S(C)(=O)=O ZINC000167806188 487471961 /nfs/dbraw/zinc/47/19/61/487471961.db2.gz NKEFZMDHAIUADJ-QMMMGPOBSA-N 1 3 248.348 -0.322 20 0 BBADHO CC(C(=O)NCCC[NH2+]C1CC1)S(C)(=O)=O ZINC000167806299 487471912 /nfs/dbraw/zinc/47/19/12/487471912.db2.gz NKEFZMDHAIUADJ-MRVPVSSYSA-N 1 3 248.348 -0.322 20 0 BBADHO CC(C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000167810818 487642228 /nfs/dbraw/zinc/64/22/28/487642228.db2.gz SBASMFZEZYOXSP-HLTSFMKQSA-N 1 3 248.348 -0.385 20 0 BBADHO CC(C(=O)N[C@H](C)C[C@H](C)[NH3+])S(C)(=O)=O ZINC000167976011 343209933 /nfs/dbraw/zinc/20/99/33/343209933.db2.gz WYCMXIHRFVHROD-XLPZGREQSA-N 1 3 236.337 -0.339 20 0 BBADHO CC(C(=O)N[C@@H](C)C[C@H](C)[NH3+])S(C)(=O)=O ZINC000167976200 343210081 /nfs/dbraw/zinc/21/00/81/343210081.db2.gz WYCMXIHRFVHROD-BIIVOSGPSA-N 1 3 236.337 -0.339 20 0 BBADHO CC[C@H](N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000168727017 398341704 /nfs/dbraw/zinc/34/17/04/398341704.db2.gz XNTCODNJIGXGDY-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO C[NH2+]CCCN(C)C(=O)COC1(C)CNC1 ZINC000168761308 487540332 /nfs/dbraw/zinc/54/03/32/487540332.db2.gz RTDBBGFIOAQQIR-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CCOC[C@H](O)C[N@H+]1CCC[C@@H]1CN ZINC000168917926 640831262 /nfs/dbraw/zinc/83/12/62/640831262.db2.gz DYBPRFLGBKKWQB-NXEZZACHSA-N 1 3 202.298 -0.193 20 0 BBADHO CCOC[C@H](O)C[N@@H+]1CCC[C@@H]1CN ZINC000168917926 640831261 /nfs/dbraw/zinc/83/12/61/640831261.db2.gz DYBPRFLGBKKWQB-NXEZZACHSA-N 1 3 202.298 -0.193 20 0 BBADHO CCOC[C@@H](O)C[N@H+]1CCC[C@@H]1CN ZINC000168918008 640831206 /nfs/dbraw/zinc/83/12/06/640831206.db2.gz DYBPRFLGBKKWQB-ZJUUUORDSA-N 1 3 202.298 -0.193 20 0 BBADHO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1CN ZINC000168918008 640831203 /nfs/dbraw/zinc/83/12/03/640831203.db2.gz DYBPRFLGBKKWQB-ZJUUUORDSA-N 1 3 202.298 -0.193 20 0 BBADHO COC[C@@H](O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000168965709 640834271 /nfs/dbraw/zinc/83/42/71/640834271.db2.gz OTNZXJZQLCYFCB-BBBLOLIVSA-N 1 3 202.298 -0.195 20 0 BBADHO COC[C@@H](O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168965796 632514910 /nfs/dbraw/zinc/51/49/10/632514910.db2.gz OTNZXJZQLCYFCB-AEJSXWLSSA-N 1 3 202.298 -0.195 20 0 BBADHO COC[C@@H](O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000168965887 640833840 /nfs/dbraw/zinc/83/38/40/640833840.db2.gz OTNZXJZQLCYFCB-UTLUCORTSA-N 1 3 202.298 -0.195 20 0 BBADHO COC[C@@H](O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000168965991 640834568 /nfs/dbraw/zinc/83/45/68/640834568.db2.gz OTNZXJZQLCYFCB-GUBZILKMSA-N 1 3 202.298 -0.195 20 0 BBADHO [NH3+]CCNC(=O)c1ccc2c(c1)CNC2 ZINC000169152349 343211033 /nfs/dbraw/zinc/21/10/33/343211033.db2.gz AEQICTIOJFVMFG-UHFFFAOYSA-N 1 3 205.261 -0.022 20 0 BBADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000178388735 134309050 /nfs/dbraw/zinc/30/90/50/134309050.db2.gz CDOAYGVBWNASBL-NXEZZACHSA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000178388749 134309077 /nfs/dbraw/zinc/30/90/77/134309077.db2.gz CDOAYGVBWNASBL-VHSXEESVSA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCCN1 ZINC000178406271 134310257 /nfs/dbraw/zinc/31/02/57/134310257.db2.gz UHDYZJJMAXLGSA-UWVGGRQHSA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCCCN1 ZINC000178406282 134309969 /nfs/dbraw/zinc/30/99/69/134309969.db2.gz UHDYZJJMAXLGSA-VHSXEESVSA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCCCN1 ZINC000178406294 136274727 /nfs/dbraw/zinc/27/47/27/136274727.db2.gz UHDYZJJMAXLGSA-ZJUUUORDSA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCCCN1 ZINC000178406303 134310321 /nfs/dbraw/zinc/31/03/21/134310321.db2.gz UHDYZJJMAXLGSA-NXEZZACHSA-N 1 3 211.309 -0.003 20 0 BBADHO CSCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178406417 366122281 /nfs/dbraw/zinc/12/22/81/366122281.db2.gz HWEMZFIUNUDGLU-IUCAKERBSA-N 1 3 231.365 -0.065 20 0 BBADHO CSCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178406424 366122032 /nfs/dbraw/zinc/12/20/32/366122032.db2.gz HWEMZFIUNUDGLU-BDAKNGLRSA-N 1 3 231.365 -0.065 20 0 BBADHO CSCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178406819 366121769 /nfs/dbraw/zinc/12/17/69/366121769.db2.gz HWEMZFIUNUDGLU-DTWKUNHWSA-N 1 3 231.365 -0.065 20 0 BBADHO CSCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178406832 366122154 /nfs/dbraw/zinc/12/21/54/366122154.db2.gz HWEMZFIUNUDGLU-RKDXNWHRSA-N 1 3 231.365 -0.065 20 0 BBADHO CN(C(=O)[C@@H]1CCCCN1)[C@@H]1CC[NH2+]C1 ZINC000178409173 136274484 /nfs/dbraw/zinc/27/44/84/136274484.db2.gz YYJIATCPAOWCGK-ZJUUUORDSA-N 1 3 211.309 -0.051 20 0 BBADHO CN(C(=O)[C@@H]1CCCCN1)[C@H]1CC[NH2+]C1 ZINC000178409184 134310217 /nfs/dbraw/zinc/31/02/17/134310217.db2.gz YYJIATCPAOWCGK-UWVGGRQHSA-N 1 3 211.309 -0.051 20 0 BBADHO CN(C(=O)[C@H]1CCCCN1)[C@@H]1CC[NH2+]C1 ZINC000178409195 536062235 /nfs/dbraw/zinc/06/22/35/536062235.db2.gz YYJIATCPAOWCGK-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO CN(C(=O)[C@H]1CCCCN1)[C@H]1CC[NH2+]C1 ZINC000178409205 536062016 /nfs/dbraw/zinc/06/20/16/536062016.db2.gz YYJIATCPAOWCGK-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO O=C(NCCN1CCCC1)[C@]1(F)CC[NH2+]C1 ZINC000178665967 635649906 /nfs/dbraw/zinc/64/99/06/635649906.db2.gz UMURGBBJYCXZBL-NSHDSACASA-N 1 3 229.299 -0.100 20 0 BBADHO O=C(NCCN1CCCC1)[C@@]1(F)CC[NH2+]C1 ZINC000178665978 635649203 /nfs/dbraw/zinc/64/92/03/635649203.db2.gz UMURGBBJYCXZBL-LLVKDONJSA-N 1 3 229.299 -0.100 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)[C@]1(F)CCNC1 ZINC000178703109 134313072 /nfs/dbraw/zinc/31/30/72/134313072.db2.gz BCCYTXYXIHNNPA-CBAPKCEASA-N 1 3 203.261 -0.459 20 0 BBADHO C[C@@H]([NH3+])CCNC(=O)[C@]1(F)CCNC1 ZINC000178703121 134313290 /nfs/dbraw/zinc/31/32/90/134313290.db2.gz BCCYTXYXIHNNPA-APPZFPTMSA-N 1 3 203.261 -0.459 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)[C@@]1(F)CCNC1 ZINC000178703134 134313332 /nfs/dbraw/zinc/31/33/32/134313332.db2.gz BCCYTXYXIHNNPA-IONNQARKSA-N 1 3 203.261 -0.459 20 0 BBADHO C[C@@H]([NH3+])CCNC(=O)[C@@]1(F)CCNC1 ZINC000178703148 134313267 /nfs/dbraw/zinc/31/32/67/134313267.db2.gz BCCYTXYXIHNNPA-VXNVDRBHSA-N 1 3 203.261 -0.459 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)C[C@@H]1CSCCN1 ZINC000178744128 346711897 /nfs/dbraw/zinc/71/18/97/346711897.db2.gz BJQBOHUQVCWQHL-DTWKUNHWSA-N 1 3 231.365 -0.065 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)C[C@H]1CSCCN1 ZINC000178744141 346711739 /nfs/dbraw/zinc/71/17/39/346711739.db2.gz BJQBOHUQVCWQHL-IUCAKERBSA-N 1 3 231.365 -0.065 20 0 BBADHO O=C(C[C@@H]1CSCCN1)NC[C@H]1CCC[NH2+]1 ZINC000178744175 345917710 /nfs/dbraw/zinc/91/77/10/345917710.db2.gz CDIIXWPCZICMGO-NXEZZACHSA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(C[C@@H]1CSCCN1)NC[C@@H]1CCC[NH2+]1 ZINC000178744186 345917883 /nfs/dbraw/zinc/91/78/83/345917883.db2.gz CDIIXWPCZICMGO-VHSXEESVSA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(C[C@H]1CSCCN1)NC[C@H]1CCC[NH2+]1 ZINC000178744196 345917776 /nfs/dbraw/zinc/91/77/76/345917776.db2.gz CDIIXWPCZICMGO-ZJUUUORDSA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(C[C@H]1CSCCN1)NC[C@@H]1CCC[NH2+]1 ZINC000178744205 345917607 /nfs/dbraw/zinc/91/76/07/345917607.db2.gz CDIIXWPCZICMGO-UWVGGRQHSA-N 1 3 243.376 -0.050 20 0 BBADHO CN(C(=O)C[C@@H]1CSCCN1)[C@@H]1CC[NH2+]C1 ZINC000178744293 386601621 /nfs/dbraw/zinc/60/16/21/386601621.db2.gz FMEWDBFLVMFCIX-NXEZZACHSA-N 1 3 243.376 -0.098 20 0 BBADHO CN(C(=O)C[C@@H]1CSCCN1)[C@H]1CC[NH2+]C1 ZINC000178744299 386602343 /nfs/dbraw/zinc/60/23/43/386602343.db2.gz FMEWDBFLVMFCIX-ZJUUUORDSA-N 1 3 243.376 -0.098 20 0 BBADHO CN(C(=O)C[C@H]1CSCCN1)[C@@H]1CC[NH2+]C1 ZINC000178744313 386602725 /nfs/dbraw/zinc/60/27/25/386602725.db2.gz FMEWDBFLVMFCIX-VHSXEESVSA-N 1 3 243.376 -0.098 20 0 BBADHO CN(C(=O)C[C@H]1CSCCN1)[C@H]1CC[NH2+]C1 ZINC000178744324 386602833 /nfs/dbraw/zinc/60/28/33/386602833.db2.gz FMEWDBFLVMFCIX-UWVGGRQHSA-N 1 3 243.376 -0.098 20 0 BBADHO COCCNCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178782887 346713309 /nfs/dbraw/zinc/71/33/09/346713309.db2.gz KGCUGQCPJLLJKE-VIFPVBQESA-N 1 3 215.297 -0.909 20 0 BBADHO COCCNCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178782899 366164268 /nfs/dbraw/zinc/16/42/68/366164268.db2.gz KGCUGQCPJLLJKE-SECBINFHSA-N 1 3 215.297 -0.909 20 0 BBADHO O=C(NC[C@H]1CCC[NH2+]1)[C@]1(F)CCNC1 ZINC000178792174 134311320 /nfs/dbraw/zinc/31/13/20/134311320.db2.gz FTLQLDJKFJLNSX-SCZZXKLOSA-N 1 3 215.272 -0.444 20 0 BBADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@]1(F)CCNC1 ZINC000178792187 134311356 /nfs/dbraw/zinc/31/13/56/134311356.db2.gz FTLQLDJKFJLNSX-WPRPVWTQSA-N 1 3 215.272 -0.444 20 0 BBADHO O=C(NC[C@H]1CCC[NH2+]1)[C@@]1(F)CCNC1 ZINC000178792200 134311389 /nfs/dbraw/zinc/31/13/89/134311389.db2.gz FTLQLDJKFJLNSX-PSASIEDQSA-N 1 3 215.272 -0.444 20 0 BBADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@@]1(F)CCNC1 ZINC000178792213 134311242 /nfs/dbraw/zinc/31/12/42/134311242.db2.gz FTLQLDJKFJLNSX-WCBMZHEXSA-N 1 3 215.272 -0.444 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)NCCN(C)CCCOC ZINC000178811343 134315005 /nfs/dbraw/zinc/31/50/05/134315005.db2.gz AQXRUBGURHOITE-NSHDSACASA-N 1 3 245.367 -0.074 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)NCCN(C)CCCOC ZINC000178811347 134315684 /nfs/dbraw/zinc/31/56/84/134315684.db2.gz AQXRUBGURHOITE-LLVKDONJSA-N 1 3 245.367 -0.074 20 0 BBADHO COCCC[N@@H+](C)CCNC(=O)[C@H](C)N ZINC000178811371 536506697 /nfs/dbraw/zinc/50/66/97/536506697.db2.gz DABQNNPIVTYYMJ-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO COCCC[N@H+](C)CCNC(=O)[C@H](C)N ZINC000178811371 536506689 /nfs/dbraw/zinc/50/66/89/536506689.db2.gz DABQNNPIVTYYMJ-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)CNC ZINC000178841530 134315536 /nfs/dbraw/zinc/31/55/36/134315536.db2.gz GLEJXRDKWLYOOZ-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)CNC ZINC000178841538 134315467 /nfs/dbraw/zinc/31/54/67/134315467.db2.gz GLEJXRDKWLYOOZ-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)N ZINC000178841668 134315872 /nfs/dbraw/zinc/31/58/72/134315872.db2.gz ORICQVCKDNGRDC-UWVGGRQHSA-N 1 3 231.340 -0.193 20 0 BBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)N ZINC000178841673 134315500 /nfs/dbraw/zinc/31/55/00/134315500.db2.gz ORICQVCKDNGRDC-VHSXEESVSA-N 1 3 231.340 -0.193 20 0 BBADHO CCCN(C(=O)CNCCOC)[C@@H]1CC[NH2+]C1 ZINC000178929280 535205554 /nfs/dbraw/zinc/20/55/54/535205554.db2.gz IEOYCNDEMNGWTQ-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO CCCN(C(=O)CNCCOC)[C@H]1CC[NH2+]C1 ZINC000178929294 535205737 /nfs/dbraw/zinc/20/57/37/535205737.db2.gz IEOYCNDEMNGWTQ-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@]1(F)CCNC1 ZINC000178960610 134313628 /nfs/dbraw/zinc/31/36/28/134313628.db2.gz GQJNQVQAEGYBIZ-ONGXEEELSA-N 1 3 229.299 -0.196 20 0 BBADHO O=C(NCC[C@H]1CC[NH2+]C1)[C@]1(F)CCNC1 ZINC000178960617 134313550 /nfs/dbraw/zinc/31/35/50/134313550.db2.gz GQJNQVQAEGYBIZ-KOLCDFICSA-N 1 3 229.299 -0.196 20 0 BBADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000178960627 134313666 /nfs/dbraw/zinc/31/36/66/134313666.db2.gz GQJNQVQAEGYBIZ-GXSJLCMTSA-N 1 3 229.299 -0.196 20 0 BBADHO O=C(NCC[C@H]1CC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000178960638 134313837 /nfs/dbraw/zinc/31/38/37/134313837.db2.gz GQJNQVQAEGYBIZ-MWLCHTKSSA-N 1 3 229.299 -0.196 20 0 BBADHO COCCNCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179116370 366207291 /nfs/dbraw/zinc/20/72/91/366207291.db2.gz VESZODDPHRMJEZ-SECBINFHSA-N 1 3 215.297 -0.957 20 0 BBADHO COCCNCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179116379 366206155 /nfs/dbraw/zinc/20/61/55/366206155.db2.gz VESZODDPHRMJEZ-VIFPVBQESA-N 1 3 215.297 -0.957 20 0 BBADHO CN(C(=O)[C@]1(F)CCNC1)[C@@H]1CC[NH2+]C1 ZINC000179125443 134317527 /nfs/dbraw/zinc/31/75/27/134317527.db2.gz YLJXAEJWEFRDLR-SCZZXKLOSA-N 1 3 215.272 -0.492 20 0 BBADHO CN(C(=O)[C@]1(F)CCNC1)[C@H]1CC[NH2+]C1 ZINC000179125455 134317533 /nfs/dbraw/zinc/31/75/33/134317533.db2.gz YLJXAEJWEFRDLR-WPRPVWTQSA-N 1 3 215.272 -0.492 20 0 BBADHO CN(C(=O)[C@@]1(F)CCNC1)[C@@H]1CC[NH2+]C1 ZINC000179125468 134317461 /nfs/dbraw/zinc/31/74/61/134317461.db2.gz YLJXAEJWEFRDLR-PSASIEDQSA-N 1 3 215.272 -0.492 20 0 BBADHO CN(C(=O)[C@@]1(F)CCNC1)[C@H]1CC[NH2+]C1 ZINC000179125479 134317762 /nfs/dbraw/zinc/31/77/62/134317762.db2.gz YLJXAEJWEFRDLR-WCBMZHEXSA-N 1 3 215.272 -0.492 20 0 BBADHO COCCNCCNC(=O)CC(C)(C)[NH3+] ZINC000179387945 385374080 /nfs/dbraw/zinc/37/40/80/385374080.db2.gz FBPKRMOENSXKKV-UHFFFAOYSA-N 1 3 217.313 -0.534 20 0 BBADHO COCC[NH2+]CCNC(=O)C1(N)CCCC1 ZINC000179390295 488214788 /nfs/dbraw/zinc/21/47/88/488214788.db2.gz LJPYHNRRNBJZLM-UHFFFAOYSA-N 1 3 229.324 -0.390 20 0 BBADHO COCCNCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000183379965 367018553 /nfs/dbraw/zinc/01/85/53/367018553.db2.gz XOZLDIDRJQWRDO-UHFFFAOYSA-N 1 3 243.351 -0.272 20 0 BBADHO CCN(CC)CC(=O)NCC[N@@H+](CC)CCO ZINC000183930961 388572079 /nfs/dbraw/zinc/57/20/79/388572079.db2.gz ABJPITXNKRUVTM-UHFFFAOYSA-N 1 3 245.367 -0.241 20 0 BBADHO CCN(CC)CC(=O)NCC[N@H+](CC)CCO ZINC000183930961 388572077 /nfs/dbraw/zinc/57/20/77/388572077.db2.gz ABJPITXNKRUVTM-UHFFFAOYSA-N 1 3 245.367 -0.241 20 0 BBADHO CC[C@@H](C(=O)NCC[N@@H+](CC)CCO)N(C)C ZINC000183966478 388573597 /nfs/dbraw/zinc/57/35/97/388573597.db2.gz ZGVOPOIGLMDLTN-NSHDSACASA-N 1 3 245.367 -0.243 20 0 BBADHO CC[C@@H](C(=O)NCC[N@H+](CC)CCO)N(C)C ZINC000183966478 388573595 /nfs/dbraw/zinc/57/35/95/388573595.db2.gz ZGVOPOIGLMDLTN-NSHDSACASA-N 1 3 245.367 -0.243 20 0 BBADHO CC[C@H](C(=O)NCC[N@@H+](CC)CCO)N(C)C ZINC000183966495 388573440 /nfs/dbraw/zinc/57/34/40/388573440.db2.gz ZGVOPOIGLMDLTN-LLVKDONJSA-N 1 3 245.367 -0.243 20 0 BBADHO CC[C@H](C(=O)NCC[N@H+](CC)CCO)N(C)C ZINC000183966495 388573436 /nfs/dbraw/zinc/57/34/36/388573436.db2.gz ZGVOPOIGLMDLTN-LLVKDONJSA-N 1 3 245.367 -0.243 20 0 BBADHO CC[N@@H+](CCO)CCNC(=O)CN(C)C(C)C ZINC000183979527 388573059 /nfs/dbraw/zinc/57/30/59/388573059.db2.gz CHBKENGYUFDKDX-UHFFFAOYSA-N 1 3 245.367 -0.243 20 0 BBADHO CC[N@H+](CCO)CCNC(=O)CN(C)C(C)C ZINC000183979527 388573057 /nfs/dbraw/zinc/57/30/57/388573057.db2.gz CHBKENGYUFDKDX-UHFFFAOYSA-N 1 3 245.367 -0.243 20 0 BBADHO NCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184183001 487646547 /nfs/dbraw/zinc/64/65/47/487646547.db2.gz CVKWXWNZGTYJRJ-UHFFFAOYSA-N 1 3 207.277 -0.067 20 0 BBADHO CC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184975922 134371903 /nfs/dbraw/zinc/37/19/03/134371903.db2.gz SXJWKKOBJHXHJM-JXUBOQSCSA-N 1 3 211.309 -0.081 20 0 BBADHO CC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000184975963 398054697 /nfs/dbraw/zinc/05/46/97/398054697.db2.gz SXJWKKOBJHXHJM-QCLAVDOMSA-N 1 3 211.309 -0.081 20 0 BBADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185135864 536370457 /nfs/dbraw/zinc/37/04/57/536370457.db2.gz WPEVFRWODQXXJN-IJLUTSLNSA-N 1 3 228.336 -0.102 20 0 BBADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185135864 536370456 /nfs/dbraw/zinc/37/04/56/536370456.db2.gz WPEVFRWODQXXJN-IJLUTSLNSA-N 1 3 228.336 -0.102 20 0 BBADHO O=C(NCC1=CC[NH2+]CC1)[C@]1(F)CCNC1 ZINC000186306999 387089326 /nfs/dbraw/zinc/08/93/26/387089326.db2.gz FMSJEZCNWXKESV-NSHDSACASA-N 1 3 227.283 -0.276 20 0 BBADHO O=C(NCC1=CC[NH2+]CC1)[C@@]1(F)CCNC1 ZINC000186307023 387088129 /nfs/dbraw/zinc/08/81/29/387088129.db2.gz FMSJEZCNWXKESV-LLVKDONJSA-N 1 3 227.283 -0.276 20 0 BBADHO CNCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186527614 385767871 /nfs/dbraw/zinc/76/78/71/385767871.db2.gz ODEANYAHONEKEA-VIFPVBQESA-N 1 3 211.309 -0.051 20 0 BBADHO CNCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186527632 385768307 /nfs/dbraw/zinc/76/83/07/385768307.db2.gz ODEANYAHONEKEA-SECBINFHSA-N 1 3 211.309 -0.051 20 0 BBADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186542971 173028565 /nfs/dbraw/zinc/02/85/65/173028565.db2.gz WPEVFRWODQXXJN-WOPDTQHZSA-N 1 3 228.336 -0.102 20 0 BBADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186542971 173028562 /nfs/dbraw/zinc/02/85/62/173028562.db2.gz WPEVFRWODQXXJN-WOPDTQHZSA-N 1 3 228.336 -0.102 20 0 BBADHO CN1CCC[C@H]1CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186542993 173052625 /nfs/dbraw/zinc/05/26/25/173052625.db2.gz WPEVFRWODQXXJN-SRVKXCTJSA-N 1 3 228.336 -0.102 20 0 BBADHO CN1CCC[C@H]1CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186542993 173052624 /nfs/dbraw/zinc/05/26/24/173052624.db2.gz WPEVFRWODQXXJN-SRVKXCTJSA-N 1 3 228.336 -0.102 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CNC1CC1 ZINC000186659949 346524871 /nfs/dbraw/zinc/52/48/71/346524871.db2.gz NAQHSISDWQMWGZ-SCZZXKLOSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CNC1CC1 ZINC000186659964 346525280 /nfs/dbraw/zinc/52/52/80/346525280.db2.gz NAQHSISDWQMWGZ-WPRPVWTQSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNC1CC1 ZINC000186659980 346525146 /nfs/dbraw/zinc/52/51/46/346525146.db2.gz NAQHSISDWQMWGZ-PSASIEDQSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CNC1CC1 ZINC000186659997 346524904 /nfs/dbraw/zinc/52/49/04/346524904.db2.gz NAQHSISDWQMWGZ-WCBMZHEXSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000186718851 387129157 /nfs/dbraw/zinc/12/91/57/387129157.db2.gz HYLQVQXXDYYOGW-YWVKMMECSA-N 1 3 229.299 -0.198 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000186718881 387129374 /nfs/dbraw/zinc/12/93/74/387129374.db2.gz HYLQVQXXDYYOGW-KKZNHRDASA-N 1 3 229.299 -0.198 20 0 BBADHO COCCNCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186812268 346538585 /nfs/dbraw/zinc/53/85/85/346538585.db2.gz JAIIXWUQAZKIBO-ZJUUUORDSA-N 1 3 229.324 -0.663 20 0 BBADHO COCCNCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186812284 346538564 /nfs/dbraw/zinc/53/85/64/346538564.db2.gz JAIIXWUQAZKIBO-UWVGGRQHSA-N 1 3 229.324 -0.663 20 0 BBADHO COCCNCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186812301 346538579 /nfs/dbraw/zinc/53/85/79/346538579.db2.gz JAIIXWUQAZKIBO-NXEZZACHSA-N 1 3 229.324 -0.663 20 0 BBADHO COCCNCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186812314 346538558 /nfs/dbraw/zinc/53/85/58/346538558.db2.gz JAIIXWUQAZKIBO-VHSXEESVSA-N 1 3 229.324 -0.663 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000187928178 387221644 /nfs/dbraw/zinc/22/16/44/387221644.db2.gz NUHZZGOIMBEANA-OUAUKWLOSA-N 1 3 241.335 -0.426 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000187928208 387221781 /nfs/dbraw/zinc/22/17/81/387221781.db2.gz NUHZZGOIMBEANA-GARJFASQSA-N 1 3 241.335 -0.426 20 0 BBADHO O=C([C@H]1C[C@H](F)CN1)N1CCC[NH2+]CC1 ZINC000188182834 386290017 /nfs/dbraw/zinc/29/00/17/386290017.db2.gz BYPLREDRCPKCOA-DTWKUNHWSA-N 1 3 215.272 -0.492 20 0 BBADHO O=C(N[C@H]1CCC[NH2+]C1)c1[nH]nc2c1CNCC2 ZINC000188183073 387256980 /nfs/dbraw/zinc/25/69/80/387256980.db2.gz LQGOYMSJTFOHDP-QMMMGPOBSA-N 1 3 249.318 -0.463 20 0 BBADHO O=C(N[C@@H]1CCC[NH2+]C1)c1[nH]nc2c1CNCC2 ZINC000188183099 387257091 /nfs/dbraw/zinc/25/70/91/387257091.db2.gz LQGOYMSJTFOHDP-MRVPVSSYSA-N 1 3 249.318 -0.463 20 0 BBADHO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@H](F)CN1 ZINC000188183121 386289869 /nfs/dbraw/zinc/28/98/69/386289869.db2.gz LKMRTNMGXLVBTK-XHNCKOQMSA-N 1 3 215.272 -0.445 20 0 BBADHO C[NH2+]CCCNC(=O)c1[nH]nc2c1CNCC2 ZINC000188183190 387255946 /nfs/dbraw/zinc/25/59/46/387255946.db2.gz CEAIYMYFYMNEBC-UHFFFAOYSA-N 1 3 237.307 -0.605 20 0 BBADHO C[NH2+]CCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188183228 386290357 /nfs/dbraw/zinc/29/03/57/386290357.db2.gz FMMKVSMCGAMLLU-JGVFFNPUSA-N 1 3 203.261 -0.588 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188183909 386288934 /nfs/dbraw/zinc/28/89/34/386288934.db2.gz LQHSLCFPFGHLAC-BIIVOSGPSA-N 1 3 203.261 -0.460 20 0 BBADHO C[C@@H]([NH3+])CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188183933 386289933 /nfs/dbraw/zinc/28/99/33/386289933.db2.gz LQHSLCFPFGHLAC-GJMOJQLCSA-N 1 3 203.261 -0.460 20 0 BBADHO CC[NH2+]CCNC(=O)c1[nH]nc2c1CNCC2 ZINC000188184478 387256892 /nfs/dbraw/zinc/25/68/92/387256892.db2.gz YBXGFGDAQOGTEY-UHFFFAOYSA-N 1 3 237.307 -0.605 20 0 BBADHO CC[NH2+]CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188184549 386289564 /nfs/dbraw/zinc/28/95/64/386289564.db2.gz CPOMGUKZEMENSQ-JGVFFNPUSA-N 1 3 203.261 -0.588 20 0 BBADHO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1C[C@H](F)CN1 ZINC000188184844 386289341 /nfs/dbraw/zinc/28/93/41/386289341.db2.gz NHEDNGFFLYNKJZ-DJLDLDEBSA-N 1 3 215.272 -0.445 20 0 BBADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@H](F)CN1 ZINC000188184868 386289087 /nfs/dbraw/zinc/28/90/87/386289087.db2.gz NHEDNGFFLYNKJZ-XHNCKOQMSA-N 1 3 215.272 -0.445 20 0 BBADHO O=C(NCC[NH2+]C1CC1)c1[nH]nc2c1CNCC2 ZINC000188184904 387256105 /nfs/dbraw/zinc/25/61/05/387256105.db2.gz JOAHFNIROVUNEG-UHFFFAOYSA-N 1 3 249.318 -0.463 20 0 BBADHO O=C(NCC[NH2+]C1CC1)[C@H]1C[C@H](F)CN1 ZINC000188184940 387257622 /nfs/dbraw/zinc/25/76/22/387257622.db2.gz GAWXGHKTQJCXNH-IONNQARKSA-N 1 3 215.272 -0.445 20 0 BBADHO CN(C(=O)[C@H]1C[C@H](F)CN1)[C@@H]1CC[NH2+]C1 ZINC000188185405 386289394 /nfs/dbraw/zinc/28/93/94/386289394.db2.gz LNQJWIVBZJMNBU-DJLDLDEBSA-N 1 3 215.272 -0.493 20 0 BBADHO CN(C(=O)[C@H]1C[C@H](F)CN1)[C@H]1CC[NH2+]C1 ZINC000188185423 386288806 /nfs/dbraw/zinc/28/88/06/386288806.db2.gz LNQJWIVBZJMNBU-XHNCKOQMSA-N 1 3 215.272 -0.493 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)N1 ZINC000188185642 386288865 /nfs/dbraw/zinc/28/88/65/386288865.db2.gz MPENSNMUZVYTMY-QCLAVDOMSA-N 1 3 229.299 -0.105 20 0 BBADHO C[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)N1 ZINC000188185663 386289558 /nfs/dbraw/zinc/28/95/58/386289558.db2.gz MPENSNMUZVYTMY-AATLWQCWSA-N 1 3 229.299 -0.105 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H](C)N1 ZINC000188185684 386289740 /nfs/dbraw/zinc/28/97/40/386289740.db2.gz MPENSNMUZVYTMY-DOLQZWNJSA-N 1 3 229.299 -0.105 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188185771 384831414 /nfs/dbraw/zinc/83/14/14/384831414.db2.gz OYLGRTYGYZGMAY-XHNCKOQMSA-N 1 3 217.288 -0.342 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188185798 384830395 /nfs/dbraw/zinc/83/03/95/384830395.db2.gz OYLGRTYGYZGMAY-HRDYMLBCSA-N 1 3 217.288 -0.342 20 0 BBADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188186158 387256461 /nfs/dbraw/zinc/25/64/61/387256461.db2.gz YUTAAPHJCSCTMT-UTINFBMNSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188186182 387255921 /nfs/dbraw/zinc/25/59/21/387255921.db2.gz YUTAAPHJCSCTMT-AXTSPUMRSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188186209 387256809 /nfs/dbraw/zinc/25/68/09/387256809.db2.gz YUTAAPHJCSCTMT-XFWSIPNHSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188186233 387256549 /nfs/dbraw/zinc/25/65/49/387256549.db2.gz YUTAAPHJCSCTMT-AATLWQCWSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+]C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000188186264 386280776 /nfs/dbraw/zinc/28/07/76/386280776.db2.gz KNVJWOHAGANFJV-DJLDLDEBSA-N 1 3 215.272 -0.460 20 0 BBADHO [NH3+]C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000188186287 386280953 /nfs/dbraw/zinc/28/09/53/386280953.db2.gz KNVJWOHAGANFJV-YIZRAAEISA-N 1 3 215.272 -0.460 20 0 BBADHO CC(C)([NH3+])CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188186485 387257377 /nfs/dbraw/zinc/25/73/77/387257377.db2.gz YYLABTAGGWBMOK-NKWVEPMBSA-N 1 3 203.261 -0.460 20 0 BBADHO C[NH+](C)CCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188687928 134534205 /nfs/dbraw/zinc/53/42/05/134534205.db2.gz MPXJJFNMMNHTJF-DTWKUNHWSA-N 1 3 217.288 -0.246 20 0 BBADHO CC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188744201 357566998 /nfs/dbraw/zinc/56/69/98/357566998.db2.gz ZAYDQHBDIPLPIF-DTWKUNHWSA-N 1 3 217.288 -0.246 20 0 BBADHO CC[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188744201 357566996 /nfs/dbraw/zinc/56/69/96/357566996.db2.gz ZAYDQHBDIPLPIF-DTWKUNHWSA-N 1 3 217.288 -0.246 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188750949 357567058 /nfs/dbraw/zinc/56/70/58/357567058.db2.gz FNAWOLYZBPUNQC-VHSXEESVSA-N 1 3 247.314 -0.619 20 0 BBADHO CCC[NH2+]CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188800823 353266742 /nfs/dbraw/zinc/26/67/42/353266742.db2.gz BIJAHTADTURZKU-DTWKUNHWSA-N 1 3 217.288 -0.198 20 0 BBADHO [NH3+][C@H](CNC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000188800953 134537390 /nfs/dbraw/zinc/53/73/90/134537390.db2.gz SVNBKLPYIBFJFB-DJLDLDEBSA-N 1 3 215.272 -0.460 20 0 BBADHO [NH3+][C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000188800975 353266960 /nfs/dbraw/zinc/26/69/60/353266960.db2.gz SVNBKLPYIBFJFB-XHNCKOQMSA-N 1 3 215.272 -0.460 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188801002 357587544 /nfs/dbraw/zinc/58/75/44/357587544.db2.gz BFCFMFDQHLKABT-DTWKUNHWSA-N 1 3 233.287 -0.961 20 0 BBADHO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188882644 357595090 /nfs/dbraw/zinc/59/50/90/357595090.db2.gz LGJVAHWGSVLVGG-IVZWLZJFSA-N 1 3 229.299 -0.151 20 0 BBADHO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188882665 357594254 /nfs/dbraw/zinc/59/42/54/357594254.db2.gz LGJVAHWGSVLVGG-LPEHRKFASA-N 1 3 229.299 -0.151 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)C1 ZINC000191867986 387186751 /nfs/dbraw/zinc/18/67/51/387186751.db2.gz MIRXXFYPHDAUQT-ZRUFSTJUSA-N 1 3 241.335 -0.428 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H](C)N[C@@H](C)C2)C1 ZINC000191868001 387186340 /nfs/dbraw/zinc/18/63/40/387186340.db2.gz MIRXXFYPHDAUQT-XWLWVQCSSA-N 1 3 241.335 -0.428 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)N[C@H](C)C2)C1 ZINC000191868014 387185784 /nfs/dbraw/zinc/18/57/84/387185784.db2.gz MIRXXFYPHDAUQT-CHWFTXMASA-N 1 3 241.335 -0.428 20 0 BBADHO COCCNCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192126916 355958346 /nfs/dbraw/zinc/95/83/46/355958346.db2.gz YAORVZZAERLFRW-DTWKUNHWSA-N 1 3 217.313 -0.678 20 0 BBADHO COCCNCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192126920 365276380 /nfs/dbraw/zinc/27/63/80/365276380.db2.gz YAORVZZAERLFRW-RKDXNWHRSA-N 1 3 217.313 -0.678 20 0 BBADHO COCCNCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192126924 365276348 /nfs/dbraw/zinc/27/63/48/365276348.db2.gz YAORVZZAERLFRW-IUCAKERBSA-N 1 3 217.313 -0.678 20 0 BBADHO COCCNCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192126929 365276535 /nfs/dbraw/zinc/27/65/35/365276535.db2.gz YAORVZZAERLFRW-BDAKNGLRSA-N 1 3 217.313 -0.678 20 0 BBADHO C[NH2+]CC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000193144049 356722239 /nfs/dbraw/zinc/72/22/39/356722239.db2.gz GBQYCDBHKHFFBW-ZJUUUORDSA-N 1 3 211.309 -0.242 20 0 BBADHO C[NH2+]CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000193144061 173327271 /nfs/dbraw/zinc/32/72/71/173327271.db2.gz GBQYCDBHKHFFBW-UWVGGRQHSA-N 1 3 211.309 -0.242 20 0 BBADHO C[NH2+]CC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000193144076 356722136 /nfs/dbraw/zinc/72/21/36/356722136.db2.gz GBQYCDBHKHFFBW-NXEZZACHSA-N 1 3 211.309 -0.242 20 0 BBADHO C[NH2+]CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000193144089 356722202 /nfs/dbraw/zinc/72/22/02/356722202.db2.gz GBQYCDBHKHFFBW-VHSXEESVSA-N 1 3 211.309 -0.242 20 0 BBADHO COCCNCCNC(=O)CC[C@H](C)[NH3+] ZINC000193324012 367167849 /nfs/dbraw/zinc/16/78/49/367167849.db2.gz WKFQBGDYLQEQHM-VIFPVBQESA-N 1 3 217.313 -0.534 20 0 BBADHO COCCNCCNC(=O)CC[C@@H](C)[NH3+] ZINC000193324022 367167901 /nfs/dbraw/zinc/16/79/01/367167901.db2.gz WKFQBGDYLQEQHM-SECBINFHSA-N 1 3 217.313 -0.534 20 0 BBADHO COCCNCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193523951 367188283 /nfs/dbraw/zinc/18/82/83/367188283.db2.gz KZPGMMJXWWEVMP-NXEZZACHSA-N 1 3 229.324 -0.521 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CNC1CC1 ZINC000193545228 367191247 /nfs/dbraw/zinc/19/12/47/367191247.db2.gz RDRWWPDRBYCRPA-WPRPVWTQSA-N 1 3 211.309 -0.005 20 0 BBADHO CN1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C)C2)C1 ZINC000193591722 367193777 /nfs/dbraw/zinc/19/37/77/367193777.db2.gz PSWUIKIPRRAYEI-NXEZZACHSA-N 1 3 226.324 -0.306 20 0 BBADHO CN1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C)C2)C1 ZINC000193591722 367193768 /nfs/dbraw/zinc/19/37/68/367193768.db2.gz PSWUIKIPRRAYEI-NXEZZACHSA-N 1 3 226.324 -0.306 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000193637010 387859159 /nfs/dbraw/zinc/85/91/59/387859159.db2.gz XXFRUTZERFZERQ-NGZCFLSTSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000193637040 387859284 /nfs/dbraw/zinc/85/92/84/387859284.db2.gz XXFRUTZERFZERQ-QXEWZRGKSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@H]([NH3+])CNC(=O)C[C@@H]1CSCCN1 ZINC000194887210 388454880 /nfs/dbraw/zinc/45/48/80/388454880.db2.gz DCORECZJCNJKDI-JGVFFNPUSA-N 1 3 217.338 -0.455 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)C[C@@H]1CSCCN1 ZINC000194887226 388454614 /nfs/dbraw/zinc/45/46/14/388454614.db2.gz DCORECZJCNJKDI-HTQZYQBOSA-N 1 3 217.338 -0.455 20 0 BBADHO C[C@H]([NH3+])CNC(=O)C[C@H]1CSCCN1 ZINC000194887239 388454446 /nfs/dbraw/zinc/45/44/46/388454446.db2.gz DCORECZJCNJKDI-YUMQZZPRSA-N 1 3 217.338 -0.455 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)C[C@H]1CSCCN1 ZINC000194887248 388454809 /nfs/dbraw/zinc/45/48/09/388454809.db2.gz DCORECZJCNJKDI-SFYZADRCSA-N 1 3 217.338 -0.455 20 0 BBADHO NC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000195216502 181323703 /nfs/dbraw/zinc/32/37/03/181323703.db2.gz UBKGNUAMFYNINF-AOOOYVTPSA-N 1 3 223.320 -0.064 20 0 BBADHO CC(C)[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195221364 387912073 /nfs/dbraw/zinc/91/20/73/387912073.db2.gz GJINYADTDZEQAC-AEJSXWLSSA-N 1 3 211.309 -0.353 20 0 BBADHO O=C([C@@H]1CCCCN1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227262 387910380 /nfs/dbraw/zinc/91/03/80/387910380.db2.gz ZTGPQLGXMWBUEQ-AXFHLTTASA-N 1 3 223.320 -0.194 20 0 BBADHO O=C([C@H]1CCCCN1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227274 387909786 /nfs/dbraw/zinc/90/97/86/387909786.db2.gz ZTGPQLGXMWBUEQ-OUAUKWLOSA-N 1 3 223.320 -0.194 20 0 BBADHO CCC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232579 388149706 /nfs/dbraw/zinc/14/97/06/388149706.db2.gz UACZFIZFDPRTRV-AEJSXWLSSA-N 1 3 211.309 -0.208 20 0 BBADHO CCC[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232590 134838224 /nfs/dbraw/zinc/83/82/24/134838224.db2.gz UACZFIZFDPRTRV-KXUCPTDWSA-N 1 3 211.309 -0.208 20 0 BBADHO O=C(CNC1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195237082 361686212 /nfs/dbraw/zinc/68/62/12/361686212.db2.gz QFARDKWIKFJWLE-DTORHVGOSA-N 1 3 209.293 -0.584 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NCC1CC[NH2+]CC1 ZINC000205282603 359753183 /nfs/dbraw/zinc/75/31/83/359753183.db2.gz MCYBPINILMUIJF-LLVKDONJSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(C[C@H]1CNCCO1)NCC1CC[NH2+]CC1 ZINC000205282620 345732615 /nfs/dbraw/zinc/73/26/15/345732615.db2.gz MCYBPINILMUIJF-NSHDSACASA-N 1 3 241.335 -0.519 20 0 BBADHO CC[NH2+]CCNC(=O)[C@H](N)CCSC ZINC000209402737 349041641 /nfs/dbraw/zinc/04/16/41/349041641.db2.gz WZEPJMAPDAJGBD-MRVPVSSYSA-N 1 3 219.354 -0.208 20 0 BBADHO NCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000212430132 343130514 /nfs/dbraw/zinc/13/05/14/343130514.db2.gz NLEWXYRBEQURKL-UHFFFAOYSA-N 1 3 211.309 -0.064 20 0 BBADHO C[NH2+]CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000212430745 345734007 /nfs/dbraw/zinc/73/40/07/345734007.db2.gz HXTXXEOPIAPVCU-SNVBAGLBSA-N 1 3 211.309 -0.099 20 0 BBADHO C[NH2+]CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000212430819 344144967 /nfs/dbraw/zinc/14/49/67/344144967.db2.gz HXTXXEOPIAPVCU-JTQLQIEISA-N 1 3 211.309 -0.099 20 0 BBADHO O=C([C@H]1CC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000218260278 134252692 /nfs/dbraw/zinc/25/26/92/134252692.db2.gz ZQMWCKOJXCZEGG-WDEREUQCSA-N 1 3 223.320 -0.098 20 0 BBADHO C[C@@H](CN1CCOCC1)N1CC[C@@H](C[NH3+])C1 ZINC000219097973 488043741 /nfs/dbraw/zinc/04/37/41/488043741.db2.gz DYWRDUYWKOQZLU-RYUDHWBXSA-N 1 3 227.352 -0.012 20 0 BBADHO C[C@H](CN1CCOCC1)N1CC[C@@H](C[NH3+])C1 ZINC000219098043 488043574 /nfs/dbraw/zinc/04/35/74/488043574.db2.gz DYWRDUYWKOQZLU-NEPJUHHUSA-N 1 3 227.352 -0.012 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CCCN1C ZINC000219243199 350118667 /nfs/dbraw/zinc/11/86/67/350118667.db2.gz UJLIPEAEEAUBRO-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCCN1C ZINC000219243289 350118454 /nfs/dbraw/zinc/11/84/54/350118454.db2.gz UJLIPEAEEAUBRO-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CCCN1C ZINC000219243357 350118492 /nfs/dbraw/zinc/11/84/92/350118492.db2.gz UJLIPEAEEAUBRO-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCCN1C ZINC000219243424 350118625 /nfs/dbraw/zinc/11/86/25/350118625.db2.gz UJLIPEAEEAUBRO-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO CCN(CCNC(=O)C[C@@H](C[NH3+])OC)C1CC1 ZINC000219243999 134276950 /nfs/dbraw/zinc/27/69/50/134276950.db2.gz SCQBNDNCNBGZHP-NSHDSACASA-N 1 3 243.351 -0.049 20 0 BBADHO CCN(CCNC(=O)C[C@H](C[NH3+])OC)C1CC1 ZINC000219244058 350118580 /nfs/dbraw/zinc/11/85/80/350118580.db2.gz SCQBNDNCNBGZHP-LLVKDONJSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000219244164 350118716 /nfs/dbraw/zinc/11/87/16/350118716.db2.gz ZGRUIFRKQPIYQI-MWLCHTKSSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000219244226 350118135 /nfs/dbraw/zinc/11/81/35/350118135.db2.gz ZGRUIFRKQPIYQI-KOLCDFICSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000219244284 350118336 /nfs/dbraw/zinc/11/83/36/350118336.db2.gz ZGRUIFRKQPIYQI-GXSJLCMTSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000219244334 134276976 /nfs/dbraw/zinc/27/69/76/134276976.db2.gz ZGRUIFRKQPIYQI-ONGXEEELSA-N 1 3 243.351 -0.051 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219944500 592265472 /nfs/dbraw/zinc/26/54/72/592265472.db2.gz YOKLHUPJIABSLE-MWLCHTKSSA-N 1 3 243.351 -0.051 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219944500 592265470 /nfs/dbraw/zinc/26/54/70/592265470.db2.gz YOKLHUPJIABSLE-MWLCHTKSSA-N 1 3 243.351 -0.051 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219944527 592265756 /nfs/dbraw/zinc/26/57/56/592265756.db2.gz YOKLHUPJIABSLE-KOLCDFICSA-N 1 3 243.351 -0.051 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219944527 592265753 /nfs/dbraw/zinc/26/57/53/592265753.db2.gz YOKLHUPJIABSLE-KOLCDFICSA-N 1 3 243.351 -0.051 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219944554 592265689 /nfs/dbraw/zinc/26/56/89/592265689.db2.gz YOKLHUPJIABSLE-GXSJLCMTSA-N 1 3 243.351 -0.051 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219944554 592265685 /nfs/dbraw/zinc/26/56/85/592265685.db2.gz YOKLHUPJIABSLE-GXSJLCMTSA-N 1 3 243.351 -0.051 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219944574 592265566 /nfs/dbraw/zinc/26/55/66/592265566.db2.gz YOKLHUPJIABSLE-ONGXEEELSA-N 1 3 243.351 -0.051 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219944574 592265562 /nfs/dbraw/zinc/26/55/62/592265562.db2.gz YOKLHUPJIABSLE-ONGXEEELSA-N 1 3 243.351 -0.051 20 0 BBADHO C[NH+]1CCC(N(CCO)CCO)CC1 ZINC000221201050 490193562 /nfs/dbraw/zinc/19/35/62/490193562.db2.gz XMCURBLHPGXNRY-UHFFFAOYSA-N 1 3 202.298 -0.633 20 0 BBADHO COC[C@@H](O)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223018550 592514817 /nfs/dbraw/zinc/51/48/17/592514817.db2.gz HHXRMFPAZLRADU-BBBLOLIVSA-N 1 3 202.298 -0.147 20 0 BBADHO COC[C@H](O)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223018610 358213767 /nfs/dbraw/zinc/21/37/67/358213767.db2.gz HHXRMFPAZLRADU-OPRDCNLKSA-N 1 3 202.298 -0.147 20 0 BBADHO COC[C@@H](O)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223018669 592514810 /nfs/dbraw/zinc/51/48/10/592514810.db2.gz HHXRMFPAZLRADU-UTLUCORTSA-N 1 3 202.298 -0.147 20 0 BBADHO COC[C@H](O)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223018729 358213800 /nfs/dbraw/zinc/21/38/00/358213800.db2.gz HHXRMFPAZLRADU-KXUCPTDWSA-N 1 3 202.298 -0.147 20 0 BBADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)C)CCN1C ZINC000223285133 388649458 /nfs/dbraw/zinc/64/94/58/388649458.db2.gz GAYLXNMEXHJJRP-GRYCIOLGSA-N 1 3 229.368 -0.019 20 0 BBADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C)CCN1C ZINC000223285252 323097307 /nfs/dbraw/zinc/09/73/07/323097307.db2.gz GAYLXNMEXHJJRP-IJLUTSLNSA-N 1 3 229.368 -0.019 20 0 BBADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](O)CN(C)C ZINC000223286699 388649857 /nfs/dbraw/zinc/64/98/57/388649857.db2.gz MUKMVTBIJDXHGF-UTUOFQBUSA-N 1 3 229.368 -0.161 20 0 BBADHO CO[C@H](C)[C@@H](C)NC[C@@H](O)C[NH+](C)C ZINC000223287743 134337750 /nfs/dbraw/zinc/33/77/50/134337750.db2.gz NUSZESGLKIOOIR-OPRDCNLKSA-N 1 3 204.314 -0.078 20 0 BBADHO CO[C@H](C)[C@H](C)NC[C@@H](O)C[NH+](C)C ZINC000223287862 536876730 /nfs/dbraw/zinc/87/67/30/536876730.db2.gz NUSZESGLKIOOIR-IVZWLZJFSA-N 1 3 204.314 -0.078 20 0 BBADHO CN(C[C@@H](O)C[NH3+])C[C@@H]1CCCOC1 ZINC000223690817 134341213 /nfs/dbraw/zinc/34/12/13/134341213.db2.gz PCTSCDNDWYPYQD-UWVGGRQHSA-N 1 3 202.298 -0.336 20 0 BBADHO C[N@@H+](C[C@@H](O)CN)C[C@@H]1CCCOC1 ZINC000223690817 134341212 /nfs/dbraw/zinc/34/12/12/134341212.db2.gz PCTSCDNDWYPYQD-UWVGGRQHSA-N 1 3 202.298 -0.336 20 0 BBADHO C[N@H+](C[C@@H](O)CN)C[C@@H]1CCCOC1 ZINC000223690817 134341211 /nfs/dbraw/zinc/34/12/11/134341211.db2.gz PCTSCDNDWYPYQD-UWVGGRQHSA-N 1 3 202.298 -0.336 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000224045560 173030251 /nfs/dbraw/zinc/03/02/51/173030251.db2.gz RTZMMZGHSPZREK-ZJUUUORDSA-N 1 3 211.309 -0.051 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000224045611 173055393 /nfs/dbraw/zinc/05/53/93/173055393.db2.gz RTZMMZGHSPZREK-UWVGGRQHSA-N 1 3 211.309 -0.051 20 0 BBADHO C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000224295369 384352902 /nfs/dbraw/zinc/35/29/02/384352902.db2.gz XARKYGPWPNDGMH-IUCAKERBSA-N 1 3 242.323 -0.369 20 0 BBADHO C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000224295423 384350919 /nfs/dbraw/zinc/35/09/19/384350919.db2.gz XARKYGPWPNDGMH-BDAKNGLRSA-N 1 3 242.323 -0.369 20 0 BBADHO COC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000225484935 641709531 /nfs/dbraw/zinc/70/95/31/641709531.db2.gz GXWLXIFWJVFUFW-UWVGGRQHSA-N 1 3 202.298 -0.336 20 0 BBADHO COC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000225484971 641709027 /nfs/dbraw/zinc/70/90/27/641709027.db2.gz GXWLXIFWJVFUFW-VHSXEESVSA-N 1 3 202.298 -0.336 20 0 BBADHO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000225524486 384868338 /nfs/dbraw/zinc/86/83/38/384868338.db2.gz RCZFMOCBPZKDKE-MXWKQRLJSA-N 1 3 239.319 -0.984 20 0 BBADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000225524515 388680010 /nfs/dbraw/zinc/68/00/10/388680010.db2.gz RCZFMOCBPZKDKE-GMTAPVOTSA-N 1 3 239.319 -0.984 20 0 BBADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000225524552 259363585 /nfs/dbraw/zinc/36/35/85/259363585.db2.gz RCZFMOCBPZKDKE-OUAUKWLOSA-N 1 3 239.319 -0.984 20 0 BBADHO CCOC[C@@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000225865762 640713591 /nfs/dbraw/zinc/71/35/91/640713591.db2.gz HTQKYNJLUDTBTO-UWVGGRQHSA-N 1 3 202.298 -0.336 20 0 BBADHO CCOC[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000225865779 640712783 /nfs/dbraw/zinc/71/27/83/640712783.db2.gz HTQKYNJLUDTBTO-VHSXEESVSA-N 1 3 202.298 -0.336 20 0 BBADHO COCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000226078680 635422506 /nfs/dbraw/zinc/42/25/06/635422506.db2.gz XAQSZTVUSLLWEI-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226078680 635422497 /nfs/dbraw/zinc/42/24/97/635422497.db2.gz XAQSZTVUSLLWEI-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226078680 635422480 /nfs/dbraw/zinc/42/24/80/635422480.db2.gz XAQSZTVUSLLWEI-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000226078691 635420936 /nfs/dbraw/zinc/42/09/36/635420936.db2.gz XAQSZTVUSLLWEI-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000226078691 635420926 /nfs/dbraw/zinc/42/09/26/635420926.db2.gz XAQSZTVUSLLWEI-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226078691 635420915 /nfs/dbraw/zinc/42/09/15/635420915.db2.gz XAQSZTVUSLLWEI-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1C ZINC000226078698 640727282 /nfs/dbraw/zinc/72/72/82/640727282.db2.gz XAQSZTVUSLLWEI-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226078698 640727281 /nfs/dbraw/zinc/72/72/81/640727281.db2.gz XAQSZTVUSLLWEI-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226078698 640727279 /nfs/dbraw/zinc/72/72/79/640727279.db2.gz XAQSZTVUSLLWEI-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H]([NH3+])C(=O)NC[C@H]1CCCN1C ZINC000226078709 635422857 /nfs/dbraw/zinc/42/28/57/635422857.db2.gz XAQSZTVUSLLWEI-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226078709 635422854 /nfs/dbraw/zinc/42/28/54/635422854.db2.gz XAQSZTVUSLLWEI-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226078709 635422846 /nfs/dbraw/zinc/42/28/46/635422846.db2.gz XAQSZTVUSLLWEI-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000226081052 487656635 /nfs/dbraw/zinc/65/66/35/487656635.db2.gz GQELDIIARBWJCA-LLVKDONJSA-N 1 3 240.351 -0.898 20 0 BBADHO CN1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000226081065 487656183 /nfs/dbraw/zinc/65/61/83/487656183.db2.gz GQELDIIARBWJCA-NSHDSACASA-N 1 3 240.351 -0.898 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000226394335 173031903 /nfs/dbraw/zinc/03/19/03/173031903.db2.gz RTZMMZGHSPZREK-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000226394347 173055901 /nfs/dbraw/zinc/05/59/01/173055901.db2.gz RTZMMZGHSPZREK-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000226394376 487729886 /nfs/dbraw/zinc/72/98/86/487729886.db2.gz PIVIFRMFLTXGDI-SECBINFHSA-N 1 3 215.297 -0.828 20 0 BBADHO CN1CCC[C@H]1CNC(=O)COCC[NH3+] ZINC000226394385 487729984 /nfs/dbraw/zinc/72/99/84/487729984.db2.gz PIVIFRMFLTXGDI-VIFPVBQESA-N 1 3 215.297 -0.828 20 0 BBADHO CCN(CCNC(=O)COCC[NH3+])C1CC1 ZINC000226397765 487731183 /nfs/dbraw/zinc/73/11/83/487731183.db2.gz ARHROXPXDZQABZ-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO CCN(CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000226397823 386292302 /nfs/dbraw/zinc/29/23/02/386292302.db2.gz OCKDJCVPUNYVCU-MNOVXSKESA-N 1 3 241.335 -0.690 20 0 BBADHO CCN(CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000226397826 385009102 /nfs/dbraw/zinc/00/91/02/385009102.db2.gz OCKDJCVPUNYVCU-GHMZBOCLSA-N 1 3 241.335 -0.690 20 0 BBADHO CC[N@@H+](CCNC(=O)CNCCOC)C1CC1 ZINC000226398136 385009575 /nfs/dbraw/zinc/00/95/75/385009575.db2.gz MFHRNLIGXWGFLL-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO CC[N@H+](CCNC(=O)CNCCOC)C1CC1 ZINC000226398136 385009571 /nfs/dbraw/zinc/00/95/71/385009571.db2.gz MFHRNLIGXWGFLL-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO C[C@@H](CNC(=O)COCC[NH3+])N(C)C1CC1 ZINC000226399064 487734227 /nfs/dbraw/zinc/73/42/27/487734227.db2.gz PZPZNYIHXQQRPS-VIFPVBQESA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@H](CNC(=O)COCC[NH3+])N(C)C1CC1 ZINC000226399069 487734777 /nfs/dbraw/zinc/73/47/77/487734777.db2.gz PZPZNYIHXQQRPS-SECBINFHSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)N(C)C1CC1 ZINC000226399153 385008924 /nfs/dbraw/zinc/00/89/24/385008924.db2.gz YBJCXTVCVIYWKV-IEBDPFPHSA-N 1 3 241.335 -0.692 20 0 BBADHO C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N(C)C1CC1 ZINC000226399159 388718605 /nfs/dbraw/zinc/71/86/05/388718605.db2.gz YBJCXTVCVIYWKV-JMJZKYOTSA-N 1 3 241.335 -0.692 20 0 BBADHO C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N(C)C1CC1 ZINC000226399165 385008652 /nfs/dbraw/zinc/00/86/52/385008652.db2.gz YBJCXTVCVIYWKV-FBIMIBRVSA-N 1 3 241.335 -0.692 20 0 BBADHO COCCNCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399538 174330786 /nfs/dbraw/zinc/33/07/86/174330786.db2.gz FBCKOJJVECDYSY-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399538 174330784 /nfs/dbraw/zinc/33/07/84/174330784.db2.gz FBCKOJJVECDYSY-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399543 174331032 /nfs/dbraw/zinc/33/10/32/174331032.db2.gz FBCKOJJVECDYSY-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399543 174331030 /nfs/dbraw/zinc/33/10/30/174331030.db2.gz FBCKOJJVECDYSY-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO CNC(=O)[C@@H](C)CN(C)C[C@@H]1CC[NH2+]C1 ZINC000226439173 487746910 /nfs/dbraw/zinc/74/69/10/487746910.db2.gz JZYDROFJKLNWEX-VHSXEESVSA-N 1 3 213.325 -0.090 20 0 BBADHO CNC(=O)[C@H](C)CN(C)C[C@@H]1CC[NH2+]C1 ZINC000226439177 487611604 /nfs/dbraw/zinc/61/16/04/487611604.db2.gz JZYDROFJKLNWEX-NXEZZACHSA-N 1 3 213.325 -0.090 20 0 BBADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CCOC ZINC000226518534 635432795 /nfs/dbraw/zinc/43/27/95/635432795.db2.gz FEKXRIHKXMEFCR-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CCOC ZINC000226518534 635432787 /nfs/dbraw/zinc/43/27/87/635432787.db2.gz FEKXRIHKXMEFCR-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO COC[C@@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074462 640814947 /nfs/dbraw/zinc/81/49/47/640814947.db2.gz LDEFETMCSSSGRL-LPEHRKFASA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074467 640815819 /nfs/dbraw/zinc/81/58/19/640815819.db2.gz LDEFETMCSSSGRL-IVZWLZJFSA-N 1 3 202.298 -0.337 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@]2(O)CCOC2)C1 ZINC000227117175 487544428 /nfs/dbraw/zinc/54/44/28/487544428.db2.gz CQIYXPRZNDYSSV-MXWKQRLJSA-N 1 3 214.309 -0.003 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NC[C@@]2(O)CCOC2)C1 ZINC000227117181 487544676 /nfs/dbraw/zinc/54/46/76/487544676.db2.gz CQIYXPRZNDYSSV-VWYCJHECSA-N 1 3 214.309 -0.003 20 0 BBADHO CCN(C)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000227181666 358350850 /nfs/dbraw/zinc/35/08/50/358350850.db2.gz TUAYFZCYQFSKQU-NXEZZACHSA-N 1 3 229.324 -0.569 20 0 BBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)CN)CC[C@H]21 ZINC000227332842 536377343 /nfs/dbraw/zinc/37/73/43/536377343.db2.gz XIVQRHTUXOEDPV-NXEZZACHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN)CC[C@H]21 ZINC000227332842 536377340 /nfs/dbraw/zinc/37/73/40/536377340.db2.gz XIVQRHTUXOEDPV-NXEZZACHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@H+]1CCC[C@H]2CN(C(=O)CN)CC[C@H]21 ZINC000227332851 134377843 /nfs/dbraw/zinc/37/78/43/134377843.db2.gz XIVQRHTUXOEDPV-VHSXEESVSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)CN)CC[C@H]21 ZINC000227332851 134377842 /nfs/dbraw/zinc/37/78/42/134377842.db2.gz XIVQRHTUXOEDPV-VHSXEESVSA-N 1 3 211.309 -0.112 20 0 BBADHO CC[NH+](CC)CCNC(=O)[C@@H](CN)OC ZINC000227342000 535537312 /nfs/dbraw/zinc/53/73/12/535537312.db2.gz XSOLVQDJSFGPHE-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO CC[NH+](CC)CCNC(=O)[C@H](CN)OC ZINC000227342006 134378314 /nfs/dbraw/zinc/37/83/14/134378314.db2.gz XSOLVQDJSFGPHE-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO CO[C@@H](CN)C(=O)NCC(C)(C)C[NH+](C)C ZINC000227342686 134378151 /nfs/dbraw/zinc/37/81/51/134378151.db2.gz MOXSYYIOMLTQDA-VIFPVBQESA-N 1 3 231.340 -0.336 20 0 BBADHO CO[C@H](CN)C(=O)NCC(C)(C)C[NH+](C)C ZINC000227342690 536559159 /nfs/dbraw/zinc/55/91/59/536559159.db2.gz MOXSYYIOMLTQDA-SECBINFHSA-N 1 3 231.340 -0.336 20 0 BBADHO CC[NH+](CC)CCCNC(=O)[C@@H](CN)OC ZINC000227344634 535516923 /nfs/dbraw/zinc/51/69/23/535516923.db2.gz RHJPTJOGXYESIN-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CC[NH+](CC)CCCNC(=O)[C@H](CN)OC ZINC000227344640 134377862 /nfs/dbraw/zinc/37/78/62/134377862.db2.gz RHJPTJOGXYESIN-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO CO[C@@H](CN)C(=O)NCCC[NH+](C)C ZINC000227345003 134378066 /nfs/dbraw/zinc/37/80/66/134378066.db2.gz RMKAMGXDFAFYLO-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO CO[C@H](CN)C(=O)NCCC[NH+](C)C ZINC000227345012 536558617 /nfs/dbraw/zinc/55/86/17/536558617.db2.gz RMKAMGXDFAFYLO-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO CO[C@@H](CN)C(=O)NCCC[NH+]1CCCC1 ZINC000227347751 134378205 /nfs/dbraw/zinc/37/82/05/134378205.db2.gz DZRFEZZJYOANAT-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO CO[C@H](CN)C(=O)NCCC[NH+]1CCCC1 ZINC000227347762 536558382 /nfs/dbraw/zinc/55/83/82/536558382.db2.gz DZRFEZZJYOANAT-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO CO[C@@H](CN)C(=O)NCCC[NH+]1CCCCC1 ZINC000227347775 134378156 /nfs/dbraw/zinc/37/81/56/134378156.db2.gz GJNZMWUVWYTKFE-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO CO[C@H](CN)C(=O)NCCC[NH+]1CCCCC1 ZINC000227347781 536558755 /nfs/dbraw/zinc/55/87/55/536558755.db2.gz GJNZMWUVWYTKFE-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO CC[NH+]1CCC(N(C)C(=O)[C@@H](CN)OC)CC1 ZINC000227350344 345252938 /nfs/dbraw/zinc/25/29/38/345252938.db2.gz MBCSXNZDNYMQNC-LLVKDONJSA-N 1 3 243.351 -0.097 20 0 BBADHO CC[NH+]1CCC(N(C)C(=O)[C@H](CN)OC)CC1 ZINC000227350351 345252902 /nfs/dbraw/zinc/25/29/02/345252902.db2.gz MBCSXNZDNYMQNC-NSHDSACASA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227355533 640830115 /nfs/dbraw/zinc/83/01/15/640830115.db2.gz UYUJAXVOIBLIFX-VWYCJHECSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227355533 640830113 /nfs/dbraw/zinc/83/01/13/640830113.db2.gz UYUJAXVOIBLIFX-VWYCJHECSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227355540 385131494 /nfs/dbraw/zinc/13/14/94/385131494.db2.gz UYUJAXVOIBLIFX-OUAUKWLOSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227355540 385131490 /nfs/dbraw/zinc/13/14/90/385131490.db2.gz UYUJAXVOIBLIFX-OUAUKWLOSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227355544 640830101 /nfs/dbraw/zinc/83/01/01/640830101.db2.gz UYUJAXVOIBLIFX-DCAQKATOSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227355544 640830097 /nfs/dbraw/zinc/83/00/97/640830097.db2.gz UYUJAXVOIBLIFX-DCAQKATOSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227355549 385129635 /nfs/dbraw/zinc/12/96/35/385129635.db2.gz UYUJAXVOIBLIFX-GARJFASQSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227355549 385129626 /nfs/dbraw/zinc/12/96/26/385129626.db2.gz UYUJAXVOIBLIFX-GARJFASQSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@@H](CN)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000227358279 388749220 /nfs/dbraw/zinc/74/92/20/388749220.db2.gz OKKFBYVVRMFARV-NSHDSACASA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@H](CN)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000227358285 388749002 /nfs/dbraw/zinc/74/90/02/388749002.db2.gz OKKFBYVVRMFARV-LLVKDONJSA-N 1 3 243.351 -0.051 20 0 BBADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CN)OC)C1 ZINC000227360072 170008143 /nfs/dbraw/zinc/00/81/43/170008143.db2.gz DGIVEMOFAXQNFC-VHSXEESVSA-N 1 3 229.324 -0.582 20 0 BBADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CN)OC)C1 ZINC000227360072 170008141 /nfs/dbraw/zinc/00/81/41/170008141.db2.gz DGIVEMOFAXQNFC-VHSXEESVSA-N 1 3 229.324 -0.582 20 0 BBADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CN)OC)C1 ZINC000227360080 170015963 /nfs/dbraw/zinc/01/59/63/170015963.db2.gz DGIVEMOFAXQNFC-NXEZZACHSA-N 1 3 229.324 -0.582 20 0 BBADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CN)OC)C1 ZINC000227360080 170015962 /nfs/dbraw/zinc/01/59/62/170015962.db2.gz DGIVEMOFAXQNFC-NXEZZACHSA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000227369145 385122494 /nfs/dbraw/zinc/12/24/94/385122494.db2.gz KUPLEWNWXCQQRX-NSHDSACASA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000227369151 386481428 /nfs/dbraw/zinc/48/14/28/386481428.db2.gz KUPLEWNWXCQQRX-LLVKDONJSA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H](C)[NH+](C)C ZINC000227370413 134378629 /nfs/dbraw/zinc/37/86/29/134378629.db2.gz SODRHSFIQHUKPS-SFYZADRCSA-N 1 3 203.286 -0.974 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H](C)[NH+](C)C ZINC000227370420 134378663 /nfs/dbraw/zinc/37/86/63/134378663.db2.gz SODRHSFIQHUKPS-HTQZYQBOSA-N 1 3 203.286 -0.974 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H](C)[NH+](C)C ZINC000227370427 134378960 /nfs/dbraw/zinc/37/89/60/134378960.db2.gz SODRHSFIQHUKPS-YUMQZZPRSA-N 1 3 203.286 -0.974 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H](C)[NH+](C)C ZINC000227370432 134378809 /nfs/dbraw/zinc/37/88/09/134378809.db2.gz SODRHSFIQHUKPS-JGVFFNPUSA-N 1 3 203.286 -0.974 20 0 BBADHO CC[NH+]1CCC(NC(=O)[C@@H](CN)OC)CC1 ZINC000227370558 345252441 /nfs/dbraw/zinc/25/24/41/345252441.db2.gz NBZYMMSLIQWRLF-SNVBAGLBSA-N 1 3 229.324 -0.439 20 0 BBADHO CC[NH+]1CCC(NC(=O)[C@H](CN)OC)CC1 ZINC000227370563 350493595 /nfs/dbraw/zinc/49/35/95/350493595.db2.gz NBZYMMSLIQWRLF-JTQLQIEISA-N 1 3 229.324 -0.439 20 0 BBADHO CCN1CCC[C@@H](NC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227373162 345252428 /nfs/dbraw/zinc/25/24/28/345252428.db2.gz KDZWVYWVFRYUAE-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO CCN1CCC[C@H](NC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227373168 345252286 /nfs/dbraw/zinc/25/22/86/345252286.db2.gz KDZWVYWVFRYUAE-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000227373218 358355003 /nfs/dbraw/zinc/35/50/03/358355003.db2.gz WYBHUTRNQYFGNW-QWRGUYRKSA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000227373218 358354998 /nfs/dbraw/zinc/35/49/98/358354998.db2.gz WYBHUTRNQYFGNW-QWRGUYRKSA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000227373223 358355309 /nfs/dbraw/zinc/35/53/09/358355309.db2.gz WYBHUTRNQYFGNW-WDEREUQCSA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000227373223 358355306 /nfs/dbraw/zinc/35/53/06/358355306.db2.gz WYBHUTRNQYFGNW-WDEREUQCSA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000227373226 350493980 /nfs/dbraw/zinc/49/39/80/350493980.db2.gz WYBHUTRNQYFGNW-MNOVXSKESA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000227373226 350493977 /nfs/dbraw/zinc/49/39/77/350493977.db2.gz WYBHUTRNQYFGNW-MNOVXSKESA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000227373231 358354985 /nfs/dbraw/zinc/35/49/85/358354985.db2.gz WYBHUTRNQYFGNW-GHMZBOCLSA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000227373231 358354982 /nfs/dbraw/zinc/35/49/82/358354982.db2.gz WYBHUTRNQYFGNW-GHMZBOCLSA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[NH+]1CCCCCC1 ZINC000227373458 358354871 /nfs/dbraw/zinc/35/48/71/358354871.db2.gz ASWWNGQTJLAJKQ-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO CO[C@H](CN)C(=O)NCC[NH+]1CCCCCC1 ZINC000227373462 358354732 /nfs/dbraw/zinc/35/47/32/358354732.db2.gz ASWWNGQTJLAJKQ-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)NCCN1CCC(C)CC1 ZINC000227373502 711832280 /nfs/dbraw/zinc/83/22/80/711832280.db2.gz AMNMJHDSKNGOKB-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@@H](CN)C(=O)NCC(C)(C)[NH+](C)C ZINC000227373828 134378807 /nfs/dbraw/zinc/37/88/07/134378807.db2.gz UASCGNUHJWRXDX-QMMMGPOBSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@H](CN)C(=O)NCC(C)(C)[NH+](C)C ZINC000227373833 536558798 /nfs/dbraw/zinc/55/87/98/536558798.db2.gz UASCGNUHJWRXDX-MRVPVSSYSA-N 1 3 217.313 -0.584 20 0 BBADHO CCC[NH+]1CCC(NC(=O)[C@@H](CN)OC)CC1 ZINC000227374523 169187813 /nfs/dbraw/zinc/18/78/13/169187813.db2.gz KQXVDXLFEZNMCV-LLVKDONJSA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[NH+]1CCC(NC(=O)[C@H](CN)OC)CC1 ZINC000227374529 169187845 /nfs/dbraw/zinc/18/78/45/169187845.db2.gz KQXVDXLFEZNMCV-NSHDSACASA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000227378232 134379343 /nfs/dbraw/zinc/37/93/43/134379343.db2.gz JLXWJQFMJODMDU-IUCAKERBSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000227378240 134379494 /nfs/dbraw/zinc/37/94/94/134379494.db2.gz JLXWJQFMJODMDU-DTWKUNHWSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C)CC[NH+](C)C ZINC000227378246 134379481 /nfs/dbraw/zinc/37/94/81/134379481.db2.gz JLXWJQFMJODMDU-BDAKNGLRSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C)CC[NH+](C)C ZINC000227378251 134378977 /nfs/dbraw/zinc/37/89/77/134378977.db2.gz JLXWJQFMJODMDU-RKDXNWHRSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@@H](CN)C(=O)NCC1CC[NH+](C)CC1 ZINC000227378952 385127292 /nfs/dbraw/zinc/12/72/92/385127292.db2.gz JVDPATVMQOWIGD-JTQLQIEISA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@H](CN)C(=O)NCC1CC[NH+](C)CC1 ZINC000227378956 385128088 /nfs/dbraw/zinc/12/80/88/385128088.db2.gz JVDPATVMQOWIGD-SNVBAGLBSA-N 1 3 229.324 -0.582 20 0 BBADHO CC[NH+]1CCC(CNC(=O)[C@@H](CN)OC)CC1 ZINC000227378965 358354694 /nfs/dbraw/zinc/35/46/94/358354694.db2.gz QJFXYWKYDOHUSO-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO CC[NH+]1CCC(CNC(=O)[C@H](CN)OC)CC1 ZINC000227378967 358354904 /nfs/dbraw/zinc/35/49/04/358354904.db2.gz QJFXYWKYDOHUSO-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000227378972 358355321 /nfs/dbraw/zinc/35/53/21/358355321.db2.gz NTUFWXKGTVQKKT-UWVGGRQHSA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000227378972 358355318 /nfs/dbraw/zinc/35/53/18/358355318.db2.gz NTUFWXKGTVQKKT-UWVGGRQHSA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000227378976 358354824 /nfs/dbraw/zinc/35/48/24/358354824.db2.gz NTUFWXKGTVQKKT-VHSXEESVSA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000227378976 358354819 /nfs/dbraw/zinc/35/48/19/358354819.db2.gz NTUFWXKGTVQKKT-VHSXEESVSA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000227378982 358355165 /nfs/dbraw/zinc/35/51/65/358355165.db2.gz NTUFWXKGTVQKKT-ZJUUUORDSA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000227378982 358355161 /nfs/dbraw/zinc/35/51/61/358355161.db2.gz NTUFWXKGTVQKKT-ZJUUUORDSA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000227378988 358354595 /nfs/dbraw/zinc/35/45/95/358354595.db2.gz NTUFWXKGTVQKKT-NXEZZACHSA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000227378988 358354591 /nfs/dbraw/zinc/35/45/91/358354591.db2.gz NTUFWXKGTVQKKT-NXEZZACHSA-N 1 3 229.324 -0.582 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000227379148 632425145 /nfs/dbraw/zinc/42/51/45/632425145.db2.gz ZOZKIVLGJYNDPJ-SCZZXKLOSA-N 1 3 227.308 -0.687 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000227379163 640830923 /nfs/dbraw/zinc/83/09/23/640830923.db2.gz ZOZKIVLGJYNDPJ-WPRPVWTQSA-N 1 3 227.308 -0.687 20 0 BBADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](CN)OC ZINC000227379695 134379177 /nfs/dbraw/zinc/37/91/77/134379177.db2.gz FABHNDBLTBTCHV-NXEZZACHSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](CN)OC ZINC000227379703 134379542 /nfs/dbraw/zinc/37/95/42/134379542.db2.gz FABHNDBLTBTCHV-VHSXEESVSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](CN)OC ZINC000227379710 535576464 /nfs/dbraw/zinc/57/64/64/535576464.db2.gz FABHNDBLTBTCHV-ZJUUUORDSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](CN)OC ZINC000227379720 134379069 /nfs/dbraw/zinc/37/90/69/134379069.db2.gz FABHNDBLTBTCHV-UWVGGRQHSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[N@@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000227381284 134379485 /nfs/dbraw/zinc/37/94/85/134379485.db2.gz BPISINPVSNIATN-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO CC[N@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000227381284 134379484 /nfs/dbraw/zinc/37/94/84/134379484.db2.gz BPISINPVSNIATN-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO CC[N@@H+](C)CCNC(=O)[C@H](CN)OC ZINC000227381292 134379192 /nfs/dbraw/zinc/37/91/92/134379192.db2.gz BPISINPVSNIATN-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO CC[N@H+](C)CCNC(=O)[C@H](CN)OC ZINC000227381292 134379191 /nfs/dbraw/zinc/37/91/91/134379191.db2.gz BPISINPVSNIATN-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[N@@H+](C)C(C)C ZINC000227381298 134379517 /nfs/dbraw/zinc/37/95/17/134379517.db2.gz OFPMBZRGVAGNKG-VIFPVBQESA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[N@H+](C)C(C)C ZINC000227381298 134379516 /nfs/dbraw/zinc/37/95/16/134379516.db2.gz OFPMBZRGVAGNKG-VIFPVBQESA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@H](CN)C(=O)NCC[N@@H+](C)C(C)C ZINC000227381303 536559347 /nfs/dbraw/zinc/55/93/47/536559347.db2.gz OFPMBZRGVAGNKG-SECBINFHSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@H](CN)C(=O)NCC[N@H+](C)C(C)C ZINC000227381303 536559341 /nfs/dbraw/zinc/55/93/41/536559341.db2.gz OFPMBZRGVAGNKG-SECBINFHSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000227382086 358354709 /nfs/dbraw/zinc/35/47/09/358354709.db2.gz CMQHVTLREGUESJ-ZJUUUORDSA-N 1 3 229.324 -0.487 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000227382092 358355022 /nfs/dbraw/zinc/35/50/22/358355022.db2.gz CMQHVTLREGUESJ-NXEZZACHSA-N 1 3 229.324 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000227382098 358354841 /nfs/dbraw/zinc/35/48/41/358354841.db2.gz CMQHVTLREGUESJ-UWVGGRQHSA-N 1 3 229.324 -0.487 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000227382104 358354797 /nfs/dbraw/zinc/35/47/97/358354797.db2.gz CMQHVTLREGUESJ-VHSXEESVSA-N 1 3 229.324 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[N@@H+](C)C1CC1 ZINC000227382374 640831566 /nfs/dbraw/zinc/83/15/66/640831566.db2.gz GGDAWFXRIKTGEV-VIFPVBQESA-N 1 3 215.297 -0.830 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[N@H+](C)C1CC1 ZINC000227382374 640831564 /nfs/dbraw/zinc/83/15/64/640831564.db2.gz GGDAWFXRIKTGEV-VIFPVBQESA-N 1 3 215.297 -0.830 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000227382459 134379504 /nfs/dbraw/zinc/37/95/04/134379504.db2.gz DPENQSVQHHVILM-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000227382465 134379037 /nfs/dbraw/zinc/37/90/37/134379037.db2.gz DPENQSVQHHVILM-GHMZBOCLSA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000227382468 134379300 /nfs/dbraw/zinc/37/93/00/134379300.db2.gz DPENQSVQHHVILM-QWRGUYRKSA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000227382475 134379064 /nfs/dbraw/zinc/37/90/64/134379064.db2.gz DPENQSVQHHVILM-WDEREUQCSA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000227383053 358354969 /nfs/dbraw/zinc/35/49/69/358354969.db2.gz CDSCCHABIJEUQJ-BDAKNGLRSA-N 1 3 215.297 -0.877 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000227383056 358354766 /nfs/dbraw/zinc/35/47/66/358354766.db2.gz CDSCCHABIJEUQJ-RKDXNWHRSA-N 1 3 215.297 -0.877 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000227383061 358354653 /nfs/dbraw/zinc/35/46/53/358354653.db2.gz CDSCCHABIJEUQJ-IUCAKERBSA-N 1 3 215.297 -0.877 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000227383068 358354613 /nfs/dbraw/zinc/35/46/13/358354613.db2.gz CDSCCHABIJEUQJ-DTWKUNHWSA-N 1 3 215.297 -0.877 20 0 BBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000227383084 640831279 /nfs/dbraw/zinc/83/12/79/640831279.db2.gz GWYBPNQFYLYYSU-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000227383086 631388883 /nfs/dbraw/zinc/38/88/83/631388883.db2.gz GWYBPNQFYLYYSU-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000227383094 358355068 /nfs/dbraw/zinc/35/50/68/358355068.db2.gz WGMMQJSHWLRBQB-MNOVXSKESA-N 1 3 241.335 -0.343 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000227383099 358355135 /nfs/dbraw/zinc/35/51/35/358355135.db2.gz WGMMQJSHWLRBQB-GHMZBOCLSA-N 1 3 241.335 -0.343 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000227383106 358355261 /nfs/dbraw/zinc/35/52/61/358355261.db2.gz WGMMQJSHWLRBQB-QWRGUYRKSA-N 1 3 241.335 -0.343 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000227383110 358355334 /nfs/dbraw/zinc/35/53/34/358355334.db2.gz WGMMQJSHWLRBQB-WDEREUQCSA-N 1 3 241.335 -0.343 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000227383283 358355037 /nfs/dbraw/zinc/35/50/37/358355037.db2.gz KYZFSRHZVMKKKK-NSHDSACASA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@H](CN)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000227383289 358354774 /nfs/dbraw/zinc/35/47/74/358354774.db2.gz KYZFSRHZVMKKKK-LLVKDONJSA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000227383574 385135118 /nfs/dbraw/zinc/13/51/18/385135118.db2.gz RJEUNLHAURNIFS-NSHDSACASA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000227383574 385135115 /nfs/dbraw/zinc/13/51/15/385135115.db2.gz RJEUNLHAURNIFS-NSHDSACASA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@H](CN)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000227383579 385133871 /nfs/dbraw/zinc/13/38/71/385133871.db2.gz RJEUNLHAURNIFS-LLVKDONJSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@H](CN)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000227383579 385133868 /nfs/dbraw/zinc/13/38/68/385133868.db2.gz RJEUNLHAURNIFS-LLVKDONJSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000227388614 385133473 /nfs/dbraw/zinc/13/34/73/385133473.db2.gz MUMAHAFVHIELNJ-ZJUUUORDSA-N 1 3 229.324 -0.487 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000227388620 385136270 /nfs/dbraw/zinc/13/62/70/385136270.db2.gz MUMAHAFVHIELNJ-NXEZZACHSA-N 1 3 229.324 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000227388627 385138587 /nfs/dbraw/zinc/13/85/87/385138587.db2.gz MUMAHAFVHIELNJ-UWVGGRQHSA-N 1 3 229.324 -0.487 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000227388634 385137098 /nfs/dbraw/zinc/13/70/98/385137098.db2.gz MUMAHAFVHIELNJ-VHSXEESVSA-N 1 3 229.324 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000227389820 358355753 /nfs/dbraw/zinc/35/57/53/358355753.db2.gz JYUVDYQGLXKRQM-VWYCJHECSA-N 1 3 241.335 -0.345 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000227389820 358355748 /nfs/dbraw/zinc/35/57/48/358355748.db2.gz JYUVDYQGLXKRQM-VWYCJHECSA-N 1 3 241.335 -0.345 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000227389830 358355592 /nfs/dbraw/zinc/35/55/92/358355592.db2.gz JYUVDYQGLXKRQM-OUAUKWLOSA-N 1 3 241.335 -0.345 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000227389830 358355590 /nfs/dbraw/zinc/35/55/90/358355590.db2.gz JYUVDYQGLXKRQM-OUAUKWLOSA-N 1 3 241.335 -0.345 20 0 BBADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](CN)OC ZINC000227390594 345254406 /nfs/dbraw/zinc/25/44/06/345254406.db2.gz XVEBDEHAMGIQLU-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](CN)OC ZINC000227390594 345254405 /nfs/dbraw/zinc/25/44/05/345254405.db2.gz XVEBDEHAMGIQLU-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](CN)OC ZINC000227390603 345254688 /nfs/dbraw/zinc/25/46/88/345254688.db2.gz XVEBDEHAMGIQLU-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](CN)OC ZINC000227390603 345254685 /nfs/dbraw/zinc/25/46/85/345254685.db2.gz XVEBDEHAMGIQLU-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227391345 385137353 /nfs/dbraw/zinc/13/73/53/385137353.db2.gz KFIXIEUVKALHTR-GARJFASQSA-N 1 3 241.335 -0.345 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227391345 385137349 /nfs/dbraw/zinc/13/73/49/385137349.db2.gz KFIXIEUVKALHTR-GARJFASQSA-N 1 3 241.335 -0.345 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000227391354 385136089 /nfs/dbraw/zinc/13/60/89/385136089.db2.gz KFIXIEUVKALHTR-HBNTYKKESA-N 1 3 241.335 -0.345 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227391354 385136083 /nfs/dbraw/zinc/13/60/83/385136083.db2.gz KFIXIEUVKALHTR-HBNTYKKESA-N 1 3 241.335 -0.345 20 0 BBADHO C[NH2+]CCCN(C)C(=O)[C@@H](CN)OC ZINC000227392004 358355601 /nfs/dbraw/zinc/35/56/01/358355601.db2.gz HXWXRWHGMMKVDV-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO C[NH2+]CCCN(C)C(=O)[C@H](CN)OC ZINC000227392011 358355608 /nfs/dbraw/zinc/35/56/08/358355608.db2.gz HXWXRWHGMMKVDV-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO CO[C@@H](CN)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000227399736 174725111 /nfs/dbraw/zinc/72/51/11/174725111.db2.gz XMXXCTDAOSAAFO-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@H](CN)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000227399743 385137817 /nfs/dbraw/zinc/13/78/17/385137817.db2.gz XMXXCTDAOSAAFO-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](CN)C(=O)NCCC1CC[NH+](C)CC1 ZINC000227409923 398051311 /nfs/dbraw/zinc/05/13/11/398051311.db2.gz ZPSSDINZXWZFBN-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@H](CN)C(=O)NCCC1CC[NH+](C)CC1 ZINC000227409932 398051246 /nfs/dbraw/zinc/05/12/46/398051246.db2.gz ZPSSDINZXWZFBN-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](CN)OC ZINC000227412151 358356058 /nfs/dbraw/zinc/35/60/58/358356058.db2.gz IELYHWPTTYQGPK-SNVBAGLBSA-N 1 3 231.340 -0.240 20 0 BBADHO CCN(CCC[NH+](C)C)C(=O)[C@H](CN)OC ZINC000227412157 358356049 /nfs/dbraw/zinc/35/60/49/358356049.db2.gz IELYHWPTTYQGPK-JTQLQIEISA-N 1 3 231.340 -0.240 20 0 BBADHO CC[N@@H+](CCNC(=O)[C@@H](CN)OC)C1CC1 ZINC000227419333 385142178 /nfs/dbraw/zinc/14/21/78/385142178.db2.gz RYARTXSMHQHIFF-SNVBAGLBSA-N 1 3 229.324 -0.439 20 0 BBADHO CC[N@H+](CCNC(=O)[C@@H](CN)OC)C1CC1 ZINC000227419333 385142176 /nfs/dbraw/zinc/14/21/76/385142176.db2.gz RYARTXSMHQHIFF-SNVBAGLBSA-N 1 3 229.324 -0.439 20 0 BBADHO CC[N@@H+](CCNC(=O)[C@H](CN)OC)C1CC1 ZINC000227419343 385140794 /nfs/dbraw/zinc/14/07/94/385140794.db2.gz RYARTXSMHQHIFF-JTQLQIEISA-N 1 3 229.324 -0.439 20 0 BBADHO CC[N@H+](CCNC(=O)[C@H](CN)OC)C1CC1 ZINC000227419343 385140787 /nfs/dbraw/zinc/14/07/87/385140787.db2.gz RYARTXSMHQHIFF-JTQLQIEISA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000227419357 385141546 /nfs/dbraw/zinc/14/15/46/385141546.db2.gz SNVMBEDVGHHKJQ-SCZZXKLOSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000227419357 385141537 /nfs/dbraw/zinc/14/15/37/385141537.db2.gz SNVMBEDVGHHKJQ-SCZZXKLOSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000227419364 385141232 /nfs/dbraw/zinc/14/12/32/385141232.db2.gz SNVMBEDVGHHKJQ-PSASIEDQSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000227419364 385141222 /nfs/dbraw/zinc/14/12/22/385141222.db2.gz SNVMBEDVGHHKJQ-PSASIEDQSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000227419368 385140766 /nfs/dbraw/zinc/14/07/66/385140766.db2.gz SNVMBEDVGHHKJQ-WPRPVWTQSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000227419368 385140759 /nfs/dbraw/zinc/14/07/59/385140759.db2.gz SNVMBEDVGHHKJQ-WPRPVWTQSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000227419373 385141907 /nfs/dbraw/zinc/14/19/07/385141907.db2.gz SNVMBEDVGHHKJQ-WCBMZHEXSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000227419373 385141900 /nfs/dbraw/zinc/14/19/00/385141900.db2.gz SNVMBEDVGHHKJQ-WCBMZHEXSA-N 1 3 229.324 -0.441 20 0 BBADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](CN)OC ZINC000227419393 134380966 /nfs/dbraw/zinc/38/09/66/134380966.db2.gz JHAGFSHLKNCUQU-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CCC[N@H+](CC)CCNC(=O)[C@@H](CN)OC ZINC000227419393 134380965 /nfs/dbraw/zinc/38/09/65/134380965.db2.gz JHAGFSHLKNCUQU-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CCC[N@@H+](CC)CCNC(=O)[C@H](CN)OC ZINC000227419403 134381040 /nfs/dbraw/zinc/38/10/40/134381040.db2.gz JHAGFSHLKNCUQU-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO CCC[N@H+](CC)CCNC(=O)[C@H](CN)OC ZINC000227419403 134381039 /nfs/dbraw/zinc/38/10/39/134381039.db2.gz JHAGFSHLKNCUQU-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000227419438 134380942 /nfs/dbraw/zinc/38/09/42/134380942.db2.gz CMBAVNFUZYUTPU-NXEZZACHSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000227419438 134380941 /nfs/dbraw/zinc/38/09/41/134380941.db2.gz CMBAVNFUZYUTPU-NXEZZACHSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000227419441 134380885 /nfs/dbraw/zinc/38/08/85/134380885.db2.gz CMBAVNFUZYUTPU-VHSXEESVSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000227419441 134380884 /nfs/dbraw/zinc/38/08/84/134380884.db2.gz CMBAVNFUZYUTPU-VHSXEESVSA-N 1 3 231.340 -0.193 20 0 BBADHO CNCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227456386 173328034 /nfs/dbraw/zinc/32/80/34/173328034.db2.gz LJJPWSSKBJUAPJ-UWVGGRQHSA-N 1 3 211.309 -0.099 20 0 BBADHO CNCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227456386 173328033 /nfs/dbraw/zinc/32/80/33/173328033.db2.gz LJJPWSSKBJUAPJ-UWVGGRQHSA-N 1 3 211.309 -0.099 20 0 BBADHO COC[C@H](O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227708272 711832587 /nfs/dbraw/zinc/83/25/87/711832587.db2.gz OTNZXJZQLCYFCB-IVZWLZJFSA-N 1 3 202.298 -0.195 20 0 BBADHO C[C@@H]1OCC[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000227841537 134391323 /nfs/dbraw/zinc/39/13/23/134391323.db2.gz CEDLQTSIGDHHDF-AEJSXWLSSA-N 1 3 202.298 -0.324 20 0 BBADHO C[C@@H]1OCC[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000227841547 134390949 /nfs/dbraw/zinc/39/09/49/134390949.db2.gz CEDLQTSIGDHHDF-IVZWLZJFSA-N 1 3 202.298 -0.324 20 0 BBADHO CC(C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000228094828 388769858 /nfs/dbraw/zinc/76/98/58/388769858.db2.gz FTAVVJQWZWXAIS-HRDYMLBCSA-N 1 3 248.348 -0.324 20 0 BBADHO CC(C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)S(C)(=O)=O ZINC000228094987 487586508 /nfs/dbraw/zinc/58/65/08/487586508.db2.gz SIYYFBPJTDLRTQ-HRDYMLBCSA-N 1 3 248.348 -0.324 20 0 BBADHO CC(C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)S(C)(=O)=O ZINC000228094997 487585681 /nfs/dbraw/zinc/58/56/81/487585681.db2.gz SIYYFBPJTDLRTQ-VGMNWLOBSA-N 1 3 248.348 -0.324 20 0 BBADHO CC(C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000228115628 487588997 /nfs/dbraw/zinc/58/89/97/487588997.db2.gz SBASMFZEZYOXSP-VGMNWLOBSA-N 1 3 248.348 -0.385 20 0 BBADHO COC[C@@H](CCO)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000228342621 487628013 /nfs/dbraw/zinc/62/80/13/487628013.db2.gz SMSRPBQBXQRLRX-VXGBXAGGSA-N 1 3 246.351 -0.570 20 0 BBADHO COC[C@H](CCO)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000228342629 487628225 /nfs/dbraw/zinc/62/82/25/487628225.db2.gz SMSRPBQBXQRLRX-NWDGAFQWSA-N 1 3 246.351 -0.570 20 0 BBADHO COC[C@@H](CCO)[NH2+]C[C@H](O)CN1CCCC1 ZINC000228342637 487628235 /nfs/dbraw/zinc/62/82/35/487628235.db2.gz SMSRPBQBXQRLRX-NEPJUHHUSA-N 1 3 246.351 -0.570 20 0 BBADHO COC[C@H](CCO)[NH2+]C[C@H](O)CN1CCCC1 ZINC000228342645 487626989 /nfs/dbraw/zinc/62/69/89/487626989.db2.gz SMSRPBQBXQRLRX-RYUDHWBXSA-N 1 3 246.351 -0.570 20 0 BBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCC[NH3+] ZINC000228908267 358386988 /nfs/dbraw/zinc/38/69/88/358386988.db2.gz KQMZXJLAXJSEPM-YGOYTEALSA-N 1 3 241.335 -0.406 20 0 BBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCC[NH3+] ZINC000228908291 358387270 /nfs/dbraw/zinc/38/72/70/358387270.db2.gz KQMZXJLAXJSEPM-KBVBSXBZSA-N 1 3 241.335 -0.406 20 0 BBADHO COC[C@H](CO)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000229057491 358345176 /nfs/dbraw/zinc/34/51/76/358345176.db2.gz LQMSPXMLPKPJNB-BBBLOLIVSA-N 1 3 202.298 -0.147 20 0 BBADHO COC[C@H](CO)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000229057507 358345047 /nfs/dbraw/zinc/34/50/47/358345047.db2.gz LQMSPXMLPKPJNB-UTLUCORTSA-N 1 3 202.298 -0.147 20 0 BBADHO COC[C@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229093199 640921196 /nfs/dbraw/zinc/92/11/96/640921196.db2.gz XCAJHMOZGXTPEU-OUAUKWLOSA-N 1 3 216.325 -0.090 20 0 BBADHO CNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](CC[NH3+])C1 ZINC000229256346 640939934 /nfs/dbraw/zinc/93/99/34/640939934.db2.gz VKSZYORQMAJTPC-RKDXNWHRSA-N 1 3 242.323 -0.499 20 0 BBADHO CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](CC[NH3+])C1 ZINC000229256357 640939797 /nfs/dbraw/zinc/93/97/97/640939797.db2.gz VKSZYORQMAJTPC-DTWKUNHWSA-N 1 3 242.323 -0.499 20 0 BBADHO CC(C)(CC(N)=O)NC[C@@H](O)C[NH+]1CCCC1 ZINC000230650773 641075009 /nfs/dbraw/zinc/07/50/09/641075009.db2.gz AMOGDMQZFWHFMQ-SNVBAGLBSA-N 1 3 243.351 -0.313 20 0 BBADHO CC(C)(CC(N)=O)NC[C@H](O)C[NH+]1CCCC1 ZINC000230650778 641076254 /nfs/dbraw/zinc/07/62/54/641076254.db2.gz AMOGDMQZFWHFMQ-JTQLQIEISA-N 1 3 243.351 -0.313 20 0 BBADHO OCCOCCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000230786317 488158795 /nfs/dbraw/zinc/15/87/95/488158795.db2.gz WDQCFYJQADPZIE-GFCCVEGCSA-N 1 3 246.351 -0.568 20 0 BBADHO OCCOCCCNC[C@H](O)C[NH+]1CCCC1 ZINC000230786320 488158713 /nfs/dbraw/zinc/15/87/13/488158713.db2.gz WDQCFYJQADPZIE-LBPRGKRZSA-N 1 3 246.351 -0.568 20 0 BBADHO CNC(=O)[C@H](C)CN(C)CCC[NH2+]C ZINC000230896323 363327665 /nfs/dbraw/zinc/32/76/65/363327665.db2.gz HNRPFDOQPQJAMV-SECBINFHSA-N 1 3 201.314 -0.090 20 0 BBADHO CNC(=O)[C@@H](C)CN(C)CCC[NH2+]C ZINC000230896325 357578233 /nfs/dbraw/zinc/57/82/33/357578233.db2.gz HNRPFDOQPQJAMV-VIFPVBQESA-N 1 3 201.314 -0.090 20 0 BBADHO CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000230977625 358413808 /nfs/dbraw/zinc/41/38/08/358413808.db2.gz AWHOCILJBCNJEU-NXEZZACHSA-N 1 3 249.380 -0.215 20 0 BBADHO CS(=O)(=O)NCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000230977629 358413665 /nfs/dbraw/zinc/41/36/65/358413665.db2.gz AWHOCILJBCNJEU-ZJUUUORDSA-N 1 3 249.380 -0.215 20 0 BBADHO CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000230977632 358413713 /nfs/dbraw/zinc/41/37/13/358413713.db2.gz AWHOCILJBCNJEU-VHSXEESVSA-N 1 3 249.380 -0.215 20 0 BBADHO CS(=O)(=O)NCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000230977636 358413558 /nfs/dbraw/zinc/41/35/58/358413558.db2.gz AWHOCILJBCNJEU-UWVGGRQHSA-N 1 3 249.380 -0.215 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NCCN(C)C ZINC000232110550 363361272 /nfs/dbraw/zinc/36/12/72/363361272.db2.gz UPOOPGIPVXFORZ-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NCCN(C)C ZINC000232110552 363361195 /nfs/dbraw/zinc/36/11/95/363361195.db2.gz UPOOPGIPVXFORZ-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO CCN1CCC[C@@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000232111398 353695154 /nfs/dbraw/zinc/69/51/54/353695154.db2.gz NHAVQKYVOJYCRI-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CCN1CCC[C@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000232111400 353694850 /nfs/dbraw/zinc/69/48/50/353694850.db2.gz NHAVQKYVOJYCRI-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCCN(C)CC1 ZINC000232111687 135026913 /nfs/dbraw/zinc/02/69/13/135026913.db2.gz LVVKPUQVYMCHPR-SNVBAGLBSA-N 1 3 229.324 -0.486 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCCN(C)CC1 ZINC000232111688 357644821 /nfs/dbraw/zinc/64/48/21/357644821.db2.gz LVVKPUQVYMCHPR-JTQLQIEISA-N 1 3 229.324 -0.486 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000232116212 357645657 /nfs/dbraw/zinc/64/56/57/357645657.db2.gz ZXBXJBUJKZIQSJ-GHMZBOCLSA-N 1 3 241.335 -0.343 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000232116214 357645763 /nfs/dbraw/zinc/64/57/63/357645763.db2.gz ZXBXJBUJKZIQSJ-MNOVXSKESA-N 1 3 241.335 -0.343 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)N(C)C ZINC000232117254 134548933 /nfs/dbraw/zinc/54/89/33/134548933.db2.gz FGXVBIXNEMROSL-RKDXNWHRSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)N(C)C ZINC000232117256 363362073 /nfs/dbraw/zinc/36/20/73/363362073.db2.gz FGXVBIXNEMROSL-BDAKNGLRSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)N(C)C ZINC000232117258 363362031 /nfs/dbraw/zinc/36/20/31/363362031.db2.gz FGXVBIXNEMROSL-DTWKUNHWSA-N 1 3 217.313 -0.584 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NC[C@H](C)N(C)C ZINC000232117260 363362993 /nfs/dbraw/zinc/36/29/93/363362993.db2.gz FGXVBIXNEMROSL-IUCAKERBSA-N 1 3 217.313 -0.584 20 0 BBADHO CCN1CCC(NC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000232117283 357645580 /nfs/dbraw/zinc/64/55/80/357645580.db2.gz PIPPLGXOBAJBIE-NSHDSACASA-N 1 3 243.351 -0.049 20 0 BBADHO CCN1CCC(NC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000232117286 357645951 /nfs/dbraw/zinc/64/59/51/357645951.db2.gz PIPPLGXOBAJBIE-LLVKDONJSA-N 1 3 243.351 -0.049 20 0 BBADHO CCN1CCC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000232117963 135026457 /nfs/dbraw/zinc/02/64/57/135026457.db2.gz PCEUVYFJYXUUGX-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CCN1CCC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000232117965 357645949 /nfs/dbraw/zinc/64/59/49/357645949.db2.gz PCEUVYFJYXUUGX-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCCN(C)C1 ZINC000232118001 487513921 /nfs/dbraw/zinc/51/39/21/487513921.db2.gz POLKJBRJQJTIHE-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCCN(C)C1 ZINC000232118002 487514035 /nfs/dbraw/zinc/51/40/35/487514035.db2.gz POLKJBRJQJTIHE-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCCN(C)C1 ZINC000232118003 487513984 /nfs/dbraw/zinc/51/39/84/487513984.db2.gz POLKJBRJQJTIHE-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@H]1CCCN(C)C1 ZINC000232118004 487513950 /nfs/dbraw/zinc/51/39/50/487513950.db2.gz POLKJBRJQJTIHE-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NCCN1CCCCC1 ZINC000232119064 353696025 /nfs/dbraw/zinc/69/60/25/353696025.db2.gz NKUVTLFHCVSDOJ-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NCCN1CCCCC1 ZINC000232119065 536564191 /nfs/dbraw/zinc/56/41/91/536564191.db2.gz NKUVTLFHCVSDOJ-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000232119324 357645954 /nfs/dbraw/zinc/64/59/54/357645954.db2.gz HDZFFZIIOXEJJU-MWLCHTKSSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000232119326 357646776 /nfs/dbraw/zinc/64/67/76/357646776.db2.gz HDZFFZIIOXEJJU-KOLCDFICSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000232119328 357646926 /nfs/dbraw/zinc/64/69/26/357646926.db2.gz HDZFFZIIOXEJJU-GXSJLCMTSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000232119330 357646564 /nfs/dbraw/zinc/64/65/64/357646564.db2.gz HDZFFZIIOXEJJU-ONGXEEELSA-N 1 3 241.335 -0.297 20 0 BBADHO CCN(C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000232119898 363362703 /nfs/dbraw/zinc/36/27/03/363362703.db2.gz YKEGFKWVUYJQLY-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO CCN(C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000232119900 363362911 /nfs/dbraw/zinc/36/29/11/363362911.db2.gz YKEGFKWVUYJQLY-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO COCCN(C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000232120020 353695966 /nfs/dbraw/zinc/69/59/66/353695966.db2.gz XOQNJZGCOHBLEN-JTQLQIEISA-N 1 3 247.339 -0.955 20 0 BBADHO COCCN(C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000232120022 353695989 /nfs/dbraw/zinc/69/59/89/353695989.db2.gz XOQNJZGCOHBLEN-SNVBAGLBSA-N 1 3 247.339 -0.955 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H]1CN(C)C ZINC000232120052 342787898 /nfs/dbraw/zinc/78/78/98/342787898.db2.gz KNHDMMPCARYPKD-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]1CN(C)C ZINC000232120054 342788036 /nfs/dbraw/zinc/78/80/36/342788036.db2.gz KNHDMMPCARYPKD-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H]1CN(C)C ZINC000232120056 342788021 /nfs/dbraw/zinc/78/80/21/342788021.db2.gz KNHDMMPCARYPKD-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]1CN(C)C ZINC000232120057 342788017 /nfs/dbraw/zinc/78/80/17/342788017.db2.gz KNHDMMPCARYPKD-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NCCN(C)C1CC1 ZINC000232120138 357647005 /nfs/dbraw/zinc/64/70/05/357647005.db2.gz VFHKCRWUDHVPRQ-SNVBAGLBSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NCCN(C)C1CC1 ZINC000232120140 357646845 /nfs/dbraw/zinc/64/68/45/357646845.db2.gz VFHKCRWUDHVPRQ-JTQLQIEISA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000232121991 357646642 /nfs/dbraw/zinc/64/66/42/357646642.db2.gz VKWBGQIYUXWGQG-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000232121994 357646746 /nfs/dbraw/zinc/64/67/46/357646746.db2.gz VKWBGQIYUXWGQG-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000232121997 357646706 /nfs/dbraw/zinc/64/67/06/357646706.db2.gz VKWBGQIYUXWGQG-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000232121999 357646891 /nfs/dbraw/zinc/64/68/91/357646891.db2.gz VKWBGQIYUXWGQG-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)N1CCCC1 ZINC000232123672 342788033 /nfs/dbraw/zinc/78/80/33/342788033.db2.gz VQVNPMDIQVDIAC-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)N1CCCC1 ZINC000232123674 342788031 /nfs/dbraw/zinc/78/80/31/342788031.db2.gz VQVNPMDIQVDIAC-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)N1CCCC1 ZINC000232123676 342787888 /nfs/dbraw/zinc/78/78/88/342787888.db2.gz VQVNPMDIQVDIAC-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NC[C@H](C)N1CCCC1 ZINC000232123677 342788054 /nfs/dbraw/zinc/78/80/54/342788054.db2.gz VQVNPMDIQVDIAC-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000232123739 357646912 /nfs/dbraw/zinc/64/69/12/357646912.db2.gz HPQJHSFBBHJNIS-AXFHLTTASA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000232123742 357646865 /nfs/dbraw/zinc/64/68/65/357646865.db2.gz HPQJHSFBBHJNIS-DCAQKATOSA-N 1 3 243.351 -0.051 20 0 BBADHO CC(=O)N[C@H]1CCN(CCOCC[NH3+])C1 ZINC000232554926 487606224 /nfs/dbraw/zinc/60/62/24/487606224.db2.gz LPNPSKFBXJQPJZ-JTQLQIEISA-N 1 3 215.297 -0.828 20 0 BBADHO CC(=O)N[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000232556310 487606350 /nfs/dbraw/zinc/60/63/50/487606350.db2.gz LPNPSKFBXJQPJZ-SNVBAGLBSA-N 1 3 215.297 -0.828 20 0 BBADHO CC(=O)NCC1CCN(CCOCC[NH3+])CC1 ZINC000232556546 353733024 /nfs/dbraw/zinc/73/30/24/353733024.db2.gz OGOIKNNARGJSST-UHFFFAOYSA-N 1 3 243.351 -0.190 20 0 BBADHO CC(C)[NH2+]CC(=O)NCCOCCN(C)C ZINC000232664152 487627635 /nfs/dbraw/zinc/62/76/35/487627635.db2.gz DUAULBPASHAPLR-UHFFFAOYSA-N 1 3 231.340 -0.321 20 0 BBADHO CC(C)[C@@H](N)C(=O)NCCOCC[NH+](C)C ZINC000232696035 342870985 /nfs/dbraw/zinc/87/09/85/342870985.db2.gz PQFNMOQQHHPEOM-SNVBAGLBSA-N 1 3 231.340 -0.336 20 0 BBADHO CC(C)[C@H](C[NH3+])C(=O)NCCOCCN(C)C ZINC000232717659 357680087 /nfs/dbraw/zinc/68/00/87/357680087.db2.gz NNYWSXSEUYQOME-NSHDSACASA-N 1 3 245.367 -0.088 20 0 BBADHO CC(C)[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000232739096 342879475 /nfs/dbraw/zinc/87/94/75/342879475.db2.gz PQFNMOQQHHPEOM-JTQLQIEISA-N 1 3 231.340 -0.336 20 0 BBADHO CC(C)[C@@H](C[NH3+])C(=O)NCCOCCN(C)C ZINC000232753985 357681312 /nfs/dbraw/zinc/68/13/12/357681312.db2.gz NNYWSXSEUYQOME-LLVKDONJSA-N 1 3 245.367 -0.088 20 0 BBADHO CCN(C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233426345 363400925 /nfs/dbraw/zinc/40/09/25/363400925.db2.gz XEDZSCJHPNVMTG-NXEZZACHSA-N 1 3 213.325 -0.090 20 0 BBADHO CC[C@@H](N)C(=O)NCCOCC[NH+](C)C ZINC000233877224 342913206 /nfs/dbraw/zinc/91/32/06/342913206.db2.gz MVDJIGQQRZTFIS-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO CC[C@@H](O)C[NH2+]CCOCCN(C)C ZINC000233898590 487632996 /nfs/dbraw/zinc/63/29/96/487632996.db2.gz DUWNUFUDVFIKGS-SNVBAGLBSA-N 1 3 204.314 -0.075 20 0 BBADHO CC[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000234042287 342916875 /nfs/dbraw/zinc/91/68/75/342916875.db2.gz MVDJIGQQRZTFIS-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO CC[C@H](O)C[NH2+]CCOCCN(C)C ZINC000234062241 342916766 /nfs/dbraw/zinc/91/67/66/342916766.db2.gz DUWNUFUDVFIKGS-JTQLQIEISA-N 1 3 204.314 -0.075 20 0 BBADHO CN(C)CCOCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000234227346 342918836 /nfs/dbraw/zinc/91/88/36/342918836.db2.gz YAYXADLKWRRMEA-GFCCVEGCSA-N 1 3 243.351 -0.177 20 0 BBADHO CN(C)CCOCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000234227508 342918689 /nfs/dbraw/zinc/91/86/89/342918689.db2.gz CUSRCEYODCHOSY-LBPRGKRZSA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C)CCOCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000234229302 388354586 /nfs/dbraw/zinc/35/45/86/388354586.db2.gz AFHYKEYGAWWHQR-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO CN(C)CCOCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000234231286 342919196 /nfs/dbraw/zinc/91/91/96/342919196.db2.gz YAYXADLKWRRMEA-LBPRGKRZSA-N 1 3 243.351 -0.177 20 0 BBADHO CN(C)CCOCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000234231409 342919164 /nfs/dbraw/zinc/91/91/64/342919164.db2.gz CUSRCEYODCHOSY-GFCCVEGCSA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C)CCOCC[NH2+]CCC(N)=O ZINC000234245947 342919086 /nfs/dbraw/zinc/91/90/86/342919086.db2.gz VQELBGOFSKTRBG-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO CN(C)CCOCCNC(=O)C(C)(C)C[NH3+] ZINC000234258732 342919084 /nfs/dbraw/zinc/91/90/84/342919084.db2.gz CDHFOHFSWYECPD-UHFFFAOYSA-N 1 3 231.340 -0.334 20 0 BBADHO C[NH+](C)CCOCCNC(=O)C(C)(C)N ZINC000234258756 342919361 /nfs/dbraw/zinc/91/93/61/342919361.db2.gz LXONFQMOTAEQNN-UHFFFAOYSA-N 1 3 217.313 -0.582 20 0 BBADHO C[NH+](C)CCOCCNC(=O)C1(N)CC1 ZINC000234259351 342919429 /nfs/dbraw/zinc/91/94/29/342919429.db2.gz BMDCGISSFCEAEX-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO C[NH+](C)CCOCCNC(=O)C1(N)CCC1 ZINC000234259368 342919410 /nfs/dbraw/zinc/91/94/10/342919410.db2.gz YSNRYLNZOQPAMM-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO C[NH+](C)CCOCCNC(=O)C1(N)CCCC1 ZINC000234259384 488129240 /nfs/dbraw/zinc/12/92/40/488129240.db2.gz SFSRVXLCWOEQIS-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CN(C)CCOCCNC(=O)C1CC[NH2+]CC1 ZINC000234259511 342919457 /nfs/dbraw/zinc/91/94/57/342919457.db2.gz HBEZVMYSIJOTPW-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C)CCOCCNC(=O)CC(C)(C)[NH3+] ZINC000234259674 487788438 /nfs/dbraw/zinc/78/84/38/487788438.db2.gz BICFIUIUJUTTRT-UHFFFAOYSA-N 1 3 231.340 -0.192 20 0 BBADHO CN(C)CCOCCNC(=O)CC1([NH3+])CCC1 ZINC000234259854 488129356 /nfs/dbraw/zinc/12/93/56/488129356.db2.gz QBEIFNRCSNSLOB-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CN(C)CCOCCNC(=O)CCCC[NH3+] ZINC000234260212 342919349 /nfs/dbraw/zinc/91/93/49/342919349.db2.gz CFGQKWPETVLYTH-UHFFFAOYSA-N 1 3 231.340 -0.190 20 0 BBADHO CN(C)CCOCCNC(=O)CCC[NH3+] ZINC000234260250 342919566 /nfs/dbraw/zinc/91/95/66/342919566.db2.gz KWXMULXYABHYEY-UHFFFAOYSA-N 1 3 217.313 -0.580 20 0 BBADHO CN(C)CCOCCNC(=O)CC[NH3+] ZINC000234260295 342919388 /nfs/dbraw/zinc/91/93/88/342919388.db2.gz LCIYIPXIHUYYDP-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO CN(C)CCOCCNC(=O)CC[NH2+]C1CC1 ZINC000234260326 342919464 /nfs/dbraw/zinc/91/94/64/342919464.db2.gz SEQYSSXJKCTUSQ-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH+](C)CCOCCNC(=O)CNC1CC1 ZINC000234261481 342919433 /nfs/dbraw/zinc/91/94/33/342919433.db2.gz HKJGYCUSHYQOFZ-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CN(C)CCOCCNC(=O)C[NH2+]CC1CC1 ZINC000234261533 342919377 /nfs/dbraw/zinc/91/93/77/342919377.db2.gz ZHGXWBCVYUBEQR-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C)CCOCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000234261916 342919375 /nfs/dbraw/zinc/91/93/75/342919375.db2.gz NEERVWFIAXZLST-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO CN(C)CCOCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000234261976 487788630 /nfs/dbraw/zinc/78/86/30/487788630.db2.gz ORDPDRPTXQJQHE-NSHDSACASA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C)CCOCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000234262181 342919371 /nfs/dbraw/zinc/91/93/71/342919371.db2.gz NEERVWFIAXZLST-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO CN(C)CCOCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000234262244 487788615 /nfs/dbraw/zinc/78/86/15/487788615.db2.gz ORDPDRPTXQJQHE-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C)CCOCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000234266148 388354021 /nfs/dbraw/zinc/35/40/21/388354021.db2.gz AFHYKEYGAWWHQR-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO CN(C)CCOCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000234266166 342919431 /nfs/dbraw/zinc/91/94/31/342919431.db2.gz GVZIHGGSYHZTHG-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C)CCOCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000234266261 487789264 /nfs/dbraw/zinc/78/92/64/487789264.db2.gz SJNBFHIFBAZNGO-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO CNC(=O)CCN(C)CCOCC[NH3+] ZINC000234350480 363419542 /nfs/dbraw/zinc/41/95/42/363419542.db2.gz HWNGVUWCUSBRQO-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO C[NH2+]CCCC(=O)NCCOCCN(C)C ZINC000234366524 342921820 /nfs/dbraw/zinc/92/18/20/342921820.db2.gz LBIPOHMAQCHEMT-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO C[NH2+]CCC(=O)NCCOCCN(C)C ZINC000234369234 342921871 /nfs/dbraw/zinc/92/18/71/342921871.db2.gz JUDVRCWAQFMTRF-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)NCCOCCN(C)C ZINC000234369254 342921753 /nfs/dbraw/zinc/92/17/53/342921753.db2.gz GWLYRCAIBCLXDI-JTQLQIEISA-N 1 3 231.340 -0.464 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)NCCOCCN(C)C ZINC000234369524 342921789 /nfs/dbraw/zinc/92/17/89/342921789.db2.gz GWLYRCAIBCLXDI-SNVBAGLBSA-N 1 3 231.340 -0.464 20 0 BBADHO COCC1(C(=O)NCCN(C)C)CC[NH2+]CC1 ZINC000234607058 174086611 /nfs/dbraw/zinc/08/66/11/174086611.db2.gz VOHDLIUWFQQRFU-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCOC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000234678293 635558472 /nfs/dbraw/zinc/55/84/72/635558472.db2.gz BRSSYLRFCGRHLJ-NSHDSACASA-N 1 3 248.367 -0.073 20 0 BBADHO COC[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)OC ZINC000234687580 487853513 /nfs/dbraw/zinc/85/35/13/487853513.db2.gz YFFQXKCPTFUCDU-VXGBXAGGSA-N 1 3 246.351 -0.306 20 0 BBADHO COC[C@@H](CN1CC[C@@H](C[NH3+])C1)OC ZINC000234688998 487853088 /nfs/dbraw/zinc/85/30/88/487853088.db2.gz YIJSJNSUTSHWLB-VHSXEESVSA-N 1 3 202.298 -0.072 20 0 BBADHO COCCOC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000234695839 631664500 /nfs/dbraw/zinc/66/45/00/631664500.db2.gz UZLNENUGMXAJFH-RYUDHWBXSA-N 1 3 246.351 -0.319 20 0 BBADHO COCCOC[C@@H](O)C[N@H+]1CCC[C@@H]1CN ZINC000234697120 635559007 /nfs/dbraw/zinc/55/90/07/635559007.db2.gz JQUQHOXMZJJBBA-MNOVXSKESA-N 1 3 232.324 -0.567 20 0 BBADHO COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1CN ZINC000234697120 635558999 /nfs/dbraw/zinc/55/89/99/635558999.db2.gz JQUQHOXMZJJBBA-MNOVXSKESA-N 1 3 232.324 -0.567 20 0 BBADHO COC[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)OC ZINC000234698237 487855886 /nfs/dbraw/zinc/85/58/86/487855886.db2.gz YFFQXKCPTFUCDU-NWDGAFQWSA-N 1 3 246.351 -0.306 20 0 BBADHO COC[C@H](CN1CC[C@@H](C[NH3+])C1)OC ZINC000234702893 487860713 /nfs/dbraw/zinc/86/07/13/487860713.db2.gz YIJSJNSUTSHWLB-UWVGGRQHSA-N 1 3 202.298 -0.072 20 0 BBADHO COC[C@@H](O)C[NH2+]CCOCCN(C)C ZINC000234717104 342939815 /nfs/dbraw/zinc/93/98/15/342939815.db2.gz BDHZQCDGGPZGIM-JTQLQIEISA-N 1 3 220.313 -0.839 20 0 BBADHO COC[C@H](O)C[NH2+]CCOCCN(C)C ZINC000234723460 342940245 /nfs/dbraw/zinc/94/02/45/342940245.db2.gz BDHZQCDGGPZGIM-SNVBAGLBSA-N 1 3 220.313 -0.839 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NCCOCCN(C)C ZINC000234759378 342940300 /nfs/dbraw/zinc/94/03/00/342940300.db2.gz HHFWKFSPIHBSOC-SNVBAGLBSA-N 1 3 247.339 -0.955 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NCCOCCN(C)C ZINC000234765044 384511160 /nfs/dbraw/zinc/51/11/60/384511160.db2.gz HHFWKFSPIHBSOC-JTQLQIEISA-N 1 3 247.339 -0.955 20 0 BBADHO C[C@H](C(=O)NCCOCCN(C)C)C1C[NH2+]C1 ZINC000235114229 342986953 /nfs/dbraw/zinc/98/69/53/342986953.db2.gz XAGDTJKAQHJTTB-JTQLQIEISA-N 1 3 243.351 -0.464 20 0 BBADHO C[C@@H](C[NH3+])C(=O)NCCOCCN(C)C ZINC000235118934 342986956 /nfs/dbraw/zinc/98/69/56/342986956.db2.gz XGOARHHTKYVOPL-VIFPVBQESA-N 1 3 217.313 -0.724 20 0 BBADHO C[C@@H]([NH3+])CC(=O)NCCOCCN(C)C ZINC000235153461 487925783 /nfs/dbraw/zinc/92/57/83/487925783.db2.gz XOSLRKWFKOGHRI-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO C[C@@H](N)C(=O)NCCOCC[NH+](C)C ZINC000235153615 342988279 /nfs/dbraw/zinc/98/82/79/342988279.db2.gz UYKVXYSJYRTWMS-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCOCCN(C)C ZINC000235155074 342988138 /nfs/dbraw/zinc/98/81/38/342988138.db2.gz LSJAVCWUDPKNTC-VHSXEESVSA-N 1 3 231.340 -0.336 20 0 BBADHO C[C@@H]([NH3+])CCC(=O)NCCOCCN(C)C ZINC000235164008 342988746 /nfs/dbraw/zinc/98/87/46/342988746.db2.gz JNEJNLUMQUSKBU-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO C[C@@H](O)[C@H](C)[NH2+]CCOCCN(C)C ZINC000235225728 487936479 /nfs/dbraw/zinc/93/64/79/487936479.db2.gz NSUOXQPRYSUDCJ-VHSXEESVSA-N 1 3 204.314 -0.077 20 0 BBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCOCCN(C)C ZINC000235227179 490061163 /nfs/dbraw/zinc/06/11/63/490061163.db2.gz LSJAVCWUDPKNTC-NXEZZACHSA-N 1 3 231.340 -0.336 20 0 BBADHO C[C@@H](O)[C@@H](C)[NH2+]CCOCCN(C)C ZINC000235233158 487937266 /nfs/dbraw/zinc/93/72/66/487937266.db2.gz NSUOXQPRYSUDCJ-NXEZZACHSA-N 1 3 204.314 -0.077 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCOCCN(C)C ZINC000235282674 343000282 /nfs/dbraw/zinc/00/02/82/343000282.db2.gz VAHGRGWFKVBKJN-WDEREUQCSA-N 1 3 243.351 -0.321 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCOCCN(C)C ZINC000235314294 343009622 /nfs/dbraw/zinc/00/96/22/343009622.db2.gz VAHGRGWFKVBKJN-QWRGUYRKSA-N 1 3 243.351 -0.321 20 0 BBADHO C[C@@H](C(=O)NCCOCCN(C)C)C1C[NH2+]C1 ZINC000235420156 343032476 /nfs/dbraw/zinc/03/24/76/343032476.db2.gz XAGDTJKAQHJTTB-SNVBAGLBSA-N 1 3 243.351 -0.464 20 0 BBADHO C[C@@]1(C(N)=O)CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000235436206 487636342 /nfs/dbraw/zinc/63/63/42/487636342.db2.gz QPNJYMQIRLFFGN-MWLCHTKSSA-N 1 3 211.309 -0.207 20 0 BBADHO C[C@H](C[NH3+])C(=O)NCCOCCN(C)C ZINC000235446391 343038055 /nfs/dbraw/zinc/03/80/55/343038055.db2.gz XGOARHHTKYVOPL-SECBINFHSA-N 1 3 217.313 -0.724 20 0 BBADHO C[C@H]([NH3+])CCC(=O)NCCOCCN(C)C ZINC000235467992 343038855 /nfs/dbraw/zinc/03/88/55/343038855.db2.gz JNEJNLUMQUSKBU-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO C[C@@H]1CN(C)CCN1CCOCC[NH3+] ZINC000235476793 176267079 /nfs/dbraw/zinc/26/70/79/176267079.db2.gz NECBVQDUKZIRJC-SNVBAGLBSA-N 1 3 201.314 -0.402 20 0 BBADHO C[C@@H](C(=O)NCCOCCN(C)C)[C@H](C)[NH3+] ZINC000235483009 343039381 /nfs/dbraw/zinc/03/93/81/343039381.db2.gz LSJAVCWUDPKNTC-ZJUUUORDSA-N 1 3 231.340 -0.336 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCOCCN(C)C ZINC000235483968 343039553 /nfs/dbraw/zinc/03/95/53/343039553.db2.gz LSJAVCWUDPKNTC-UWVGGRQHSA-N 1 3 231.340 -0.336 20 0 BBADHO C[C@H]([NH3+])CC(=O)NCCOCCN(C)C ZINC000235487053 487971587 /nfs/dbraw/zinc/97/15/87/487971587.db2.gz XOSLRKWFKOGHRI-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO C[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000235497505 343039980 /nfs/dbraw/zinc/03/99/80/343039980.db2.gz UYKVXYSJYRTWMS-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO C[C@H](O)[C@H](C)[NH2+]CCOCCN(C)C ZINC000235560711 487636081 /nfs/dbraw/zinc/63/60/81/487636081.db2.gz NSUOXQPRYSUDCJ-UWVGGRQHSA-N 1 3 204.314 -0.077 20 0 BBADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H](C)O ZINC000235567795 487981427 /nfs/dbraw/zinc/98/14/27/487981427.db2.gz NSUOXQPRYSUDCJ-ZJUUUORDSA-N 1 3 204.314 -0.077 20 0 BBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCOCCN(C)C ZINC000235581858 343048085 /nfs/dbraw/zinc/04/80/85/343048085.db2.gz VAHGRGWFKVBKJN-MNOVXSKESA-N 1 3 243.351 -0.321 20 0 BBADHO C[C@H]1CN(C)CCN1CCOCC[NH3+] ZINC000235582833 388371530 /nfs/dbraw/zinc/37/15/30/388371530.db2.gz NECBVQDUKZIRJC-JTQLQIEISA-N 1 3 201.314 -0.402 20 0 BBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCOCCN(C)C ZINC000235598016 343048346 /nfs/dbraw/zinc/04/83/46/343048346.db2.gz VAHGRGWFKVBKJN-GHMZBOCLSA-N 1 3 243.351 -0.321 20 0 BBADHO C[C@]1(C(N)=O)CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000235742074 488012871 /nfs/dbraw/zinc/01/28/71/488012871.db2.gz QPNJYMQIRLFFGN-KOLCDFICSA-N 1 3 211.309 -0.207 20 0 BBADHO NC(=O)CN(CCOCC[NH3+])C1CCCC1 ZINC000236170134 488047977 /nfs/dbraw/zinc/04/79/77/488047977.db2.gz DVGPCOJEMQTLQC-UHFFFAOYSA-N 1 3 229.324 -0.308 20 0 BBADHO NC(=O)CC1CCN(CCOCC[NH3+])CC1 ZINC000236172167 187286750 /nfs/dbraw/zinc/28/67/50/187286750.db2.gz REUVNGXCWFCLTP-UHFFFAOYSA-N 1 3 229.324 -0.451 20 0 BBADHO [NH3+]CCOCCN1CCC(CO)CC1 ZINC000236172287 343083636 /nfs/dbraw/zinc/08/36/36/343083636.db2.gz VSCRFJQKCKKTGD-UHFFFAOYSA-N 1 3 202.298 -0.334 20 0 BBADHO [NH3+]CCOCCN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000236178400 488047874 /nfs/dbraw/zinc/04/78/74/488047874.db2.gz FPIKCEURZSUDMW-MNOVXSKESA-N 1 3 241.335 -0.438 20 0 BBADHO [NH3+]CCOCCN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000236178518 488048056 /nfs/dbraw/zinc/04/80/56/488048056.db2.gz FPIKCEURZSUDMW-GHMZBOCLSA-N 1 3 241.335 -0.438 20 0 BBADHO OCCCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000236497442 488064549 /nfs/dbraw/zinc/06/45/49/488064549.db2.gz XLKKJXALSUHIHH-LLVKDONJSA-N 1 3 216.325 -0.195 20 0 BBADHO OCCCCNC[C@H](O)C[NH+]1CCCC1 ZINC000236498269 488064975 /nfs/dbraw/zinc/06/49/75/488064975.db2.gz XLKKJXALSUHIHH-NSHDSACASA-N 1 3 216.325 -0.195 20 0 BBADHO CC(C)([NH3+])CNC(=O)CNC[C@@H]1CCCO1 ZINC000236604441 343103476 /nfs/dbraw/zinc/10/34/76/343103476.db2.gz YVZMFBPFYIWHBW-VIFPVBQESA-N 1 3 229.324 -0.392 20 0 BBADHO CC(C)([NH3+])CNC(=O)CNC[C@H]1CCCO1 ZINC000236604468 343103577 /nfs/dbraw/zinc/10/35/77/343103577.db2.gz YVZMFBPFYIWHBW-SECBINFHSA-N 1 3 229.324 -0.392 20 0 BBADHO CC(C)([NH3+])CNC(=O)C[C@@H]1CSCCN1 ZINC000236607431 343103535 /nfs/dbraw/zinc/10/35/35/343103535.db2.gz MRNVUFWKESSMIQ-MRVPVSSYSA-N 1 3 231.365 -0.065 20 0 BBADHO CC(C)([NH3+])CNC(=O)C[C@H]1CSCCN1 ZINC000236607702 343103657 /nfs/dbraw/zinc/10/36/57/343103657.db2.gz MRNVUFWKESSMIQ-QMMMGPOBSA-N 1 3 231.365 -0.065 20 0 BBADHO CC(C)N(C)CC(=O)NCCN1CC[NH2+]CC1 ZINC000236648870 384544221 /nfs/dbraw/zinc/54/42/21/384544221.db2.gz RZTBMZBKONSHGT-UHFFFAOYSA-N 1 3 242.367 -0.652 20 0 BBADHO CC(C)C[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000236713482 488082852 /nfs/dbraw/zinc/08/28/52/488082852.db2.gz BBIJXEQTOSKCCE-LLVKDONJSA-N 1 3 242.367 -0.619 20 0 BBADHO CC(C)[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000236743554 343110364 /nfs/dbraw/zinc/11/03/64/343110364.db2.gz TYSYXVKKRPBIFC-NSHDSACASA-N 1 3 242.367 -0.619 20 0 BBADHO CCCC[C@@H](N)C(=O)NCC[NH2+]CCOC ZINC000236745273 387905305 /nfs/dbraw/zinc/90/53/05/387905305.db2.gz DYOGUWFUKUYMNI-SNVBAGLBSA-N 1 3 231.340 -0.144 20 0 BBADHO CCC[NH2+]CCNC(=O)CNCCOC ZINC000236760980 343109995 /nfs/dbraw/zinc/10/99/95/343109995.db2.gz VGDCXYGIUGUYSB-UHFFFAOYSA-N 1 3 217.313 -0.662 20 0 BBADHO CCC[NH2+]CCNC(=O)CNC[C@@H]1CCCO1 ZINC000236761023 169257915 /nfs/dbraw/zinc/25/79/15/169257915.db2.gz UIKOVJSLHQXBDR-NSHDSACASA-N 1 3 243.351 -0.129 20 0 BBADHO CCC[NH2+]CCNC(=O)CNC[C@H]1CCCO1 ZINC000236761043 169258699 /nfs/dbraw/zinc/25/86/99/169258699.db2.gz UIKOVJSLHQXBDR-LLVKDONJSA-N 1 3 243.351 -0.129 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)CNCCOC ZINC000236761538 633794075 /nfs/dbraw/zinc/79/40/75/633794075.db2.gz JZSISUXNGMHLGT-UHFFFAOYSA-N 1 3 231.340 -0.144 20 0 BBADHO CCCC[C@H](N)C(=O)NCC[NH2+]CCOC ZINC000236797040 387906455 /nfs/dbraw/zinc/90/64/55/387906455.db2.gz DYOGUWFUKUYMNI-JTQLQIEISA-N 1 3 231.340 -0.144 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)CNCCOC ZINC000236817007 635343548 /nfs/dbraw/zinc/34/35/48/635343548.db2.gz FGXRRTSISHGQSG-JTQLQIEISA-N 1 3 231.340 -0.144 20 0 BBADHO CCN(CC)CC(=O)NCCN1CC[NH2+]CC1 ZINC000236842052 384590189 /nfs/dbraw/zinc/59/01/89/384590189.db2.gz HZDPGGKMWGKXEE-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)CNCCOC ZINC000236890574 169002424 /nfs/dbraw/zinc/00/24/24/169002424.db2.gz FGXRRTSISHGQSG-SNVBAGLBSA-N 1 3 231.340 -0.144 20 0 BBADHO CC[NH2+]CCNC(=O)CNC[C@@H]1CCCO1 ZINC000236908725 343115214 /nfs/dbraw/zinc/11/52/14/343115214.db2.gz JMXSQPYYNVLBHT-JTQLQIEISA-N 1 3 229.324 -0.519 20 0 BBADHO CC[NH2+]CCNC(=O)CNC[C@H]1CCCO1 ZINC000236908757 343115099 /nfs/dbraw/zinc/11/50/99/343115099.db2.gz JMXSQPYYNVLBHT-SNVBAGLBSA-N 1 3 229.324 -0.519 20 0 BBADHO CC[NH2+]CCNC(=O)C[C@@H]1CSCCN1 ZINC000236916291 363461371 /nfs/dbraw/zinc/46/13/71/363461371.db2.gz KRFNMLZPQOYTHK-SECBINFHSA-N 1 3 231.365 -0.193 20 0 BBADHO CC[NH2+]CCNC(=O)C[C@H]1CSCCN1 ZINC000236917737 343115108 /nfs/dbraw/zinc/11/51/08/343115108.db2.gz KRFNMLZPQOYTHK-VIFPVBQESA-N 1 3 231.365 -0.193 20 0 BBADHO CC[C@H]([NH3+])C(=O)N[C@@H](C)CCN1CCOCC1 ZINC000236926122 388386514 /nfs/dbraw/zinc/38/65/14/388386514.db2.gz XWBHUUSULQJLIK-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C1(N)CC1 ZINC000236935026 384850864 /nfs/dbraw/zinc/85/08/64/384850864.db2.gz FRFXPTLAGDUFIS-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)CN ZINC000236935462 384854185 /nfs/dbraw/zinc/85/41/85/384854185.db2.gz XRVBOQRXBSAOAL-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)N ZINC000236935863 384854745 /nfs/dbraw/zinc/85/47/45/384854745.db2.gz ORICQVCKDNGRDC-NXEZZACHSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[NH2+]CCOC ZINC000236971522 386330414 /nfs/dbraw/zinc/33/04/14/386330414.db2.gz YWRRCUNUTQKIKJ-NXEZZACHSA-N 1 3 231.340 -0.288 20 0 BBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1(N)CC1 ZINC000237044263 385273919 /nfs/dbraw/zinc/27/39/19/385273919.db2.gz FRFXPTLAGDUFIS-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)CN ZINC000237044538 385272755 /nfs/dbraw/zinc/27/27/55/385272755.db2.gz XRVBOQRXBSAOAL-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)N ZINC000237044818 385277466 /nfs/dbraw/zinc/27/74/66/385277466.db2.gz ORICQVCKDNGRDC-ZJUUUORDSA-N 1 3 231.340 -0.193 20 0 BBADHO C[NH2+]CCNC(=O)C[C@@H]1CSCCN1 ZINC000237050680 343122080 /nfs/dbraw/zinc/12/20/80/343122080.db2.gz ZXQUIEWVHSMLIO-MRVPVSSYSA-N 1 3 217.338 -0.583 20 0 BBADHO C[NH2+]CCNC(=O)C[C@H]1CSCCN1 ZINC000237052004 343122016 /nfs/dbraw/zinc/12/20/16/343122016.db2.gz ZXQUIEWVHSMLIO-QMMMGPOBSA-N 1 3 217.338 -0.583 20 0 BBADHO CC[C@H](C)[C@@H](N)C(=O)NCC[NH2+]CCOC ZINC000237068269 171370669 /nfs/dbraw/zinc/37/06/69/171370669.db2.gz YWRRCUNUTQKIKJ-VHSXEESVSA-N 1 3 231.340 -0.288 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000237083709 174306701 /nfs/dbraw/zinc/30/67/01/174306701.db2.gz ONEFKOIGKFYNAE-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000237083796 174306750 /nfs/dbraw/zinc/30/67/50/174306750.db2.gz ICOQUXPRGDYXPF-SNVBAGLBSA-N 1 3 241.335 -0.295 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)CC[NH3+] ZINC000237084780 174307433 /nfs/dbraw/zinc/30/74/33/174307433.db2.gz DPQXCDOGVQBTDB-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)CNCCOC ZINC000237087053 488100501 /nfs/dbraw/zinc/10/05/01/488100501.db2.gz XRQFUASPFIHWEO-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000237091385 174308285 /nfs/dbraw/zinc/30/82/85/174308285.db2.gz ONEFKOIGKFYNAE-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000237091445 174307915 /nfs/dbraw/zinc/30/79/15/174307915.db2.gz ICOQUXPRGDYXPF-JTQLQIEISA-N 1 3 241.335 -0.295 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)CC[NH3+] ZINC000237091721 174307920 /nfs/dbraw/zinc/30/79/20/174307920.db2.gz DPQXCDOGVQBTDB-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO C[NH+](C)CCCNC(=O)CNC[C@@H]1CCCO1 ZINC000237100451 388390199 /nfs/dbraw/zinc/39/01/99/388390199.db2.gz VPPYQUULCSDKGZ-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH+](C)CCCNC(=O)CNC[C@H]1CCCO1 ZINC000237100481 388390194 /nfs/dbraw/zinc/39/01/94/388390194.db2.gz VPPYQUULCSDKGZ-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)CNCCOC ZINC000237117982 384929847 /nfs/dbraw/zinc/92/98/47/384929847.db2.gz UXZCCWKWJQMELB-VIFPVBQESA-N 1 3 217.313 -0.806 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)CNC[C@@H]1CCCO1 ZINC000237118022 388390280 /nfs/dbraw/zinc/39/02/80/388390280.db2.gz NKLBBSMYHNCEQQ-QWRGUYRKSA-N 1 3 243.351 -0.273 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)CNC[C@H]1CCCO1 ZINC000237118048 259680966 /nfs/dbraw/zinc/68/09/66/259680966.db2.gz NKLBBSMYHNCEQQ-WDEREUQCSA-N 1 3 243.351 -0.273 20 0 BBADHO C[NH+](C)[C@@H](CNC(=O)C1(N)CC1)C1CC1 ZINC000237132029 386359787 /nfs/dbraw/zinc/35/97/87/386359787.db2.gz MEXOLYGUFVUHHQ-VIFPVBQESA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000237137919 343126987 /nfs/dbraw/zinc/12/69/87/343126987.db2.gz YQHRCSCMNMCTME-IUCAKERBSA-N 1 3 201.314 -0.059 20 0 BBADHO COCCNCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000237140709 343127474 /nfs/dbraw/zinc/12/74/74/343127474.db2.gz DNVWKZSMVZKTPX-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO COCCNCC(=O)N(C)[C@H](C)C[NH3+] ZINC000237141781 343127603 /nfs/dbraw/zinc/12/76/03/343127603.db2.gz DNVWKZSMVZKTPX-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO COCCNCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000237147145 343127610 /nfs/dbraw/zinc/12/76/10/343127610.db2.gz HXQZQBMTHYCYIK-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCNCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000237147174 343127485 /nfs/dbraw/zinc/12/74/85/343127485.db2.gz HXQZQBMTHYCYIK-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCNCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237147668 343127590 /nfs/dbraw/zinc/12/75/90/343127590.db2.gz HXQZQBMTHYCYIK-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO COCCNCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000237147700 343127596 /nfs/dbraw/zinc/12/75/96/343127596.db2.gz HXQZQBMTHYCYIK-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCNCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237148253 343127448 /nfs/dbraw/zinc/12/74/48/343127448.db2.gz KJCMHPLRFZFHDV-GHMZBOCLSA-N 1 3 243.351 -0.192 20 0 BBADHO COCCNCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237148281 343127672 /nfs/dbraw/zinc/12/76/72/343127672.db2.gz KJCMHPLRFZFHDV-WDEREUQCSA-N 1 3 243.351 -0.192 20 0 BBADHO COCCNCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237150191 343127765 /nfs/dbraw/zinc/12/77/65/343127765.db2.gz KJCMHPLRFZFHDV-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO COCCNCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237150221 343127409 /nfs/dbraw/zinc/12/74/09/343127409.db2.gz KJCMHPLRFZFHDV-QWRGUYRKSA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[NH2+]CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237154074 387924681 /nfs/dbraw/zinc/92/46/81/387924681.db2.gz MDAUAGJQYKWULL-ZJUUUORDSA-N 1 3 229.324 -0.569 20 0 BBADHO COCC[NH2+]CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000237154106 387924306 /nfs/dbraw/zinc/92/43/06/387924306.db2.gz MDAUAGJQYKWULL-NXEZZACHSA-N 1 3 229.324 -0.569 20 0 BBADHO COCC[NH2+]CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237154516 387924972 /nfs/dbraw/zinc/92/49/72/387924972.db2.gz MDAUAGJQYKWULL-UWVGGRQHSA-N 1 3 229.324 -0.569 20 0 BBADHO COCC[NH2+]CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000237154545 387925471 /nfs/dbraw/zinc/92/54/71/387925471.db2.gz MDAUAGJQYKWULL-VHSXEESVSA-N 1 3 229.324 -0.569 20 0 BBADHO C[NH2+]CCCC(=O)NCCNCCOC ZINC000237164535 343127953 /nfs/dbraw/zinc/12/79/53/343127953.db2.gz MXMHCWBKDIGTSA-UHFFFAOYSA-N 1 3 217.313 -0.662 20 0 BBADHO COCCNCC(=O)NC1(C[NH3+])CCCC1 ZINC000237171365 388391026 /nfs/dbraw/zinc/39/10/26/388391026.db2.gz VJEYKZFPKXXRDY-UHFFFAOYSA-N 1 3 229.324 -0.390 20 0 BBADHO COCCNCC(=O)NCC[NH2+]C1CC1 ZINC000237182959 488113468 /nfs/dbraw/zinc/11/34/68/488113468.db2.gz DZOVTNHAYLSEAO-UHFFFAOYSA-N 1 3 215.297 -0.909 20 0 BBADHO COCCNCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237184714 343128619 /nfs/dbraw/zinc/12/86/19/343128619.db2.gz SOVJGSXDKLDUQQ-NSHDSACASA-N 1 3 243.351 -0.272 20 0 BBADHO COCCNCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237184842 343128403 /nfs/dbraw/zinc/12/84/03/343128403.db2.gz SOVJGSXDKLDUQQ-LLVKDONJSA-N 1 3 243.351 -0.272 20 0 BBADHO C[NH+](C)[C@H](CNC(=O)C1(N)CC1)C1CC1 ZINC000237187872 172532956 /nfs/dbraw/zinc/53/29/56/172532956.db2.gz MEXOLYGUFVUHHQ-SECBINFHSA-N 1 3 211.309 -0.066 20 0 BBADHO COCCC[N@@H+](C)CCNC(=O)C(C)(C)N ZINC000237188818 174216513 /nfs/dbraw/zinc/21/65/13/174216513.db2.gz OGKPMYVVLCRTQJ-UHFFFAOYSA-N 1 3 231.340 -0.192 20 0 BBADHO COCCC[N@H+](C)CCNC(=O)C(C)(C)N ZINC000237188818 174216512 /nfs/dbraw/zinc/21/65/12/174216512.db2.gz OGKPMYVVLCRTQJ-UHFFFAOYSA-N 1 3 231.340 -0.192 20 0 BBADHO COCCC[N@@H+](C)CCNC(=O)C1(N)CC1 ZINC000237188902 174215920 /nfs/dbraw/zinc/21/59/20/174215920.db2.gz UEXBOINEAQIFAQ-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO COCCC[N@H+](C)CCNC(=O)C1(N)CC1 ZINC000237188902 174215918 /nfs/dbraw/zinc/21/59/18/174215918.db2.gz UEXBOINEAQIFAQ-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO COCCCN(C)CCNC(=O)CCC[NH3+] ZINC000237189264 174216354 /nfs/dbraw/zinc/21/63/54/174216354.db2.gz WKHGKZTWGZGJBO-UHFFFAOYSA-N 1 3 231.340 -0.190 20 0 BBADHO COCCCN(C)CCNC(=O)CC[NH3+] ZINC000237189309 174216798 /nfs/dbraw/zinc/21/67/98/174216798.db2.gz PUUFAEUNUCJJIO-UHFFFAOYSA-N 1 3 217.313 -0.580 20 0 BBADHO COCCC[N@@H+](C)CCNC(=O)CN ZINC000237189352 174216040 /nfs/dbraw/zinc/21/60/40/174216040.db2.gz VNUULQHEATWCDU-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO COCCC[N@H+](C)CCNC(=O)CN ZINC000237189352 174216039 /nfs/dbraw/zinc/21/60/39/174216039.db2.gz VNUULQHEATWCDU-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO COCCNCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000237189721 174331639 /nfs/dbraw/zinc/33/16/39/174331639.db2.gz UVJATXRVJWWBGN-NSHDSACASA-N 1 3 243.351 -0.321 20 0 BBADHO COCCC[N@@H+](C)CCNC(=O)[C@@H](C)N ZINC000237189808 174216065 /nfs/dbraw/zinc/21/60/65/174216065.db2.gz DABQNNPIVTYYMJ-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO COCCC[N@H+](C)CCNC(=O)[C@@H](C)N ZINC000237189808 174216062 /nfs/dbraw/zinc/21/60/62/174216062.db2.gz DABQNNPIVTYYMJ-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO COCCCN(C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237190166 174215892 /nfs/dbraw/zinc/21/58/92/174215892.db2.gz OSGYPLKCWZRRFN-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO COCCCN(C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237190210 174214962 /nfs/dbraw/zinc/21/49/62/174214962.db2.gz DPWXIYMNMCUXMN-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCNCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237190275 343128475 /nfs/dbraw/zinc/12/84/75/343128475.db2.gz LXVNKZOAALOTFI-SECBINFHSA-N 1 3 215.297 -0.924 20 0 BBADHO COCCCN(C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000237190746 174215598 /nfs/dbraw/zinc/21/55/98/174215598.db2.gz OSGYPLKCWZRRFN-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO COCCCN(C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000237190780 174216026 /nfs/dbraw/zinc/21/60/26/174216026.db2.gz DPWXIYMNMCUXMN-NSHDSACASA-N 1 3 243.351 -0.320 20 0 BBADHO COCCNCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237192252 488116919 /nfs/dbraw/zinc/11/69/19/488116919.db2.gz PTAXVQMPVVVQKE-JTQLQIEISA-N 1 3 229.324 -0.519 20 0 BBADHO COCCNCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000237194475 174331345 /nfs/dbraw/zinc/33/13/45/174331345.db2.gz UVJATXRVJWWBGN-LLVKDONJSA-N 1 3 243.351 -0.321 20 0 BBADHO COCCNCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000237194882 343129157 /nfs/dbraw/zinc/12/91/57/343129157.db2.gz LXVNKZOAALOTFI-VIFPVBQESA-N 1 3 215.297 -0.924 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)NCCNCCOC ZINC000237195740 343129101 /nfs/dbraw/zinc/12/91/01/343129101.db2.gz PYENCIWKSYNFEC-SECBINFHSA-N 1 3 217.313 -0.806 20 0 BBADHO COCCNCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237196248 488116837 /nfs/dbraw/zinc/11/68/37/488116837.db2.gz PTAXVQMPVVVQKE-SNVBAGLBSA-N 1 3 229.324 -0.519 20 0 BBADHO COCCNCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237214752 343130946 /nfs/dbraw/zinc/13/09/46/343130946.db2.gz FEZYKIDTDRVHRP-VIFPVBQESA-N 1 3 215.297 -0.924 20 0 BBADHO COCCNCC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000237214844 174331149 /nfs/dbraw/zinc/33/11/49/174331149.db2.gz BUFBTEDVQPPDPX-SNVBAGLBSA-N 1 3 231.340 -0.288 20 0 BBADHO COCCNCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237218378 174331271 /nfs/dbraw/zinc/33/12/71/174331271.db2.gz AIBKUNANNBGACM-GHMZBOCLSA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000237218456 174331493 /nfs/dbraw/zinc/33/14/93/174331493.db2.gz AIBKUNANNBGACM-WDEREUQCSA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237218525 343131769 /nfs/dbraw/zinc/13/17/69/343131769.db2.gz PWONWSDHFBDUJE-SECBINFHSA-N 1 3 215.297 -0.909 20 0 BBADHO COCCNCC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000237222582 343131548 /nfs/dbraw/zinc/13/15/48/343131548.db2.gz CAIWAPGZZRXZRJ-NSHDSACASA-N 1 3 231.340 -0.288 20 0 BBADHO COCCNCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237222627 343131680 /nfs/dbraw/zinc/13/16/80/343131680.db2.gz RIDSXYMQJKZLCF-NSHDSACASA-N 1 3 229.324 -0.534 20 0 BBADHO C[NH2+]CC(=O)NCCN(C)CCCOC ZINC000237224055 173328689 /nfs/dbraw/zinc/32/86/89/173328689.db2.gz BBGJTEJAFZDDKC-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)CNCCOC ZINC000237227115 488121791 /nfs/dbraw/zinc/12/17/91/488121791.db2.gz XRQFUASPFIHWEO-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO COCCNCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000237227823 343131616 /nfs/dbraw/zinc/13/16/16/343131616.db2.gz FEZYKIDTDRVHRP-SECBINFHSA-N 1 3 215.297 -0.924 20 0 BBADHO COCCNCC(=O)N[C@H](C[NH3+])CC(C)C ZINC000237227890 174331504 /nfs/dbraw/zinc/33/15/04/174331504.db2.gz BUFBTEDVQPPDPX-JTQLQIEISA-N 1 3 231.340 -0.288 20 0 BBADHO COCCNCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000237230367 174331444 /nfs/dbraw/zinc/33/14/44/174331444.db2.gz AIBKUNANNBGACM-MNOVXSKESA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000237230427 174331584 /nfs/dbraw/zinc/33/15/84/174331584.db2.gz AIBKUNANNBGACM-QWRGUYRKSA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000237233151 343130720 /nfs/dbraw/zinc/13/07/20/343130720.db2.gz CAIWAPGZZRXZRJ-LLVKDONJSA-N 1 3 231.340 -0.288 20 0 BBADHO COCCNCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237233183 343130784 /nfs/dbraw/zinc/13/07/84/343130784.db2.gz RIDSXYMQJKZLCF-LLVKDONJSA-N 1 3 229.324 -0.534 20 0 BBADHO C[NH2+]CC(=O)NC[C@@H]1CCCN1CCOC ZINC000237234078 173330442 /nfs/dbraw/zinc/33/04/42/173330442.db2.gz GJDUJAYFRKBDAW-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CC(=O)NC[C@H]1CCCN1CCOC ZINC000237238167 173330660 /nfs/dbraw/zinc/33/06/60/173330660.db2.gz GJDUJAYFRKBDAW-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000237265017 173332213 /nfs/dbraw/zinc/33/22/13/173332213.db2.gz ISKFABSBLYBIEU-RKDXNWHRSA-N 1 3 211.309 -0.053 20 0 BBADHO C[NH2+]CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000237265046 173331318 /nfs/dbraw/zinc/33/13/18/173331318.db2.gz ISKFABSBLYBIEU-DTWKUNHWSA-N 1 3 211.309 -0.053 20 0 BBADHO COCCNCCNC(=O)CC1([NH3+])CCC1 ZINC000237269555 488136289 /nfs/dbraw/zinc/13/62/89/488136289.db2.gz NHRGGZDWPHJGOG-UHFFFAOYSA-N 1 3 229.324 -0.390 20 0 BBADHO C[NH2+]CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000237275948 173332700 /nfs/dbraw/zinc/33/27/00/173332700.db2.gz ISKFABSBLYBIEU-BDAKNGLRSA-N 1 3 211.309 -0.053 20 0 BBADHO C[NH2+]CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000237275985 173333245 /nfs/dbraw/zinc/33/32/45/173333245.db2.gz ISKFABSBLYBIEU-IUCAKERBSA-N 1 3 211.309 -0.053 20 0 BBADHO COCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC000237277006 174332288 /nfs/dbraw/zinc/33/22/88/174332288.db2.gz VOZOYYBPCDVNII-UHFFFAOYSA-N 1 3 231.340 -0.321 20 0 BBADHO COCC[NH2+]CCNC(=O)CNC1CC1 ZINC000237278291 343131762 /nfs/dbraw/zinc/13/17/62/343131762.db2.gz LKTLUPLJMKVBAC-UHFFFAOYSA-N 1 3 215.297 -0.909 20 0 BBADHO C[NH2+]CCN(C)C(=O)CNC[C@@H]1CCCO1 ZINC000237283839 343132603 /nfs/dbraw/zinc/13/26/03/343132603.db2.gz WYXDOSIIWZIYGL-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CCN(C)C(=O)CNC[C@H]1CCCO1 ZINC000237283868 343132638 /nfs/dbraw/zinc/13/26/38/343132638.db2.gz WYXDOSIIWZIYGL-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)CNCCOC ZINC000237289784 343132301 /nfs/dbraw/zinc/13/23/01/343132301.db2.gz UXZCCWKWJQMELB-SECBINFHSA-N 1 3 217.313 -0.806 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)CNC[C@@H]1CCCO1 ZINC000237289815 259682408 /nfs/dbraw/zinc/68/24/08/259682408.db2.gz NKLBBSMYHNCEQQ-MNOVXSKESA-N 1 3 243.351 -0.273 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)CNC[C@H]1CCCO1 ZINC000237289846 388392802 /nfs/dbraw/zinc/39/28/02/388392802.db2.gz NKLBBSMYHNCEQQ-GHMZBOCLSA-N 1 3 243.351 -0.273 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@@H](N)C(C)(C)C ZINC000237293168 343132138 /nfs/dbraw/zinc/13/21/38/343132138.db2.gz WTHJVHPRABLWNT-SECBINFHSA-N 1 3 231.340 -0.288 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237295586 343132191 /nfs/dbraw/zinc/13/21/91/343132191.db2.gz YCBVFJZPDVUUEA-VIFPVBQESA-N 1 3 215.297 -0.909 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237296211 343131947 /nfs/dbraw/zinc/13/19/47/343131947.db2.gz XDGGTIBRSWYIIE-GHMZBOCLSA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237296253 488139653 /nfs/dbraw/zinc/13/96/53/488139653.db2.gz QBMHIXZNZGIRTM-ZJUUUORDSA-N 1 3 229.324 -0.534 20 0 BBADHO COCCNCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237301476 343134450 /nfs/dbraw/zinc/13/44/50/343134450.db2.gz AWDSZCNAIJIHSK-LBPRGKRZSA-N 1 3 243.351 -0.272 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000237303702 343134263 /nfs/dbraw/zinc/13/42/63/343134263.db2.gz YQHRCSCMNMCTME-BDAKNGLRSA-N 1 3 201.314 -0.059 20 0 BBADHO COCCNCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000237306196 343133944 /nfs/dbraw/zinc/13/39/44/343133944.db2.gz YCBVFJZPDVUUEA-SECBINFHSA-N 1 3 215.297 -0.909 20 0 BBADHO COCCNCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237311096 343133898 /nfs/dbraw/zinc/13/38/98/343133898.db2.gz AWDSZCNAIJIHSK-GFCCVEGCSA-N 1 3 243.351 -0.272 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)NCCNCCOC ZINC000237317879 358941012 /nfs/dbraw/zinc/94/10/12/358941012.db2.gz PYENCIWKSYNFEC-VIFPVBQESA-N 1 3 217.313 -0.806 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)CNC[C@@H]1CCCO1 ZINC000237334107 388393030 /nfs/dbraw/zinc/39/30/30/388393030.db2.gz MPXDZMDTNBSMBF-UWVGGRQHSA-N 1 3 229.324 -0.534 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)CNC[C@H]1CCCO1 ZINC000237334133 388393222 /nfs/dbraw/zinc/39/32/22/388393222.db2.gz MPXDZMDTNBSMBF-VHSXEESVSA-N 1 3 229.324 -0.534 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)C[C@@H]1CSCCN1 ZINC000237339593 388393074 /nfs/dbraw/zinc/39/30/74/388393074.db2.gz PCFBYHMRDQVDNT-DTWKUNHWSA-N 1 3 231.365 -0.208 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)C[C@H]1CSCCN1 ZINC000237340478 388394092 /nfs/dbraw/zinc/39/40/92/388394092.db2.gz PCFBYHMRDQVDNT-IUCAKERBSA-N 1 3 231.365 -0.208 20 0 BBADHO C[C@@H]1CN(C(=O)C[NH2+]C2CC2)[C@@H](C)CN1 ZINC000237425157 343139407 /nfs/dbraw/zinc/13/94/07/343139407.db2.gz MLTDJNPGQNNZNL-BDAKNGLRSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H]1CN(C(=O)C[NH2+]C2CC2)[C@H](C)CN1 ZINC000237425184 343139261 /nfs/dbraw/zinc/13/92/61/343139261.db2.gz MLTDJNPGQNNZNL-RKDXNWHRSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1CSCCN1 ZINC000237430175 343139484 /nfs/dbraw/zinc/13/94/84/343139484.db2.gz GOJVWHUZDCXRFB-DTWKUNHWSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1CSCCN1 ZINC000237431003 343139852 /nfs/dbraw/zinc/13/98/52/343139852.db2.gz GOJVWHUZDCXRFB-IUCAKERBSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@@H]1CN(CCCCNC(=O)C[NH3+])C[C@@H](C)O1 ZINC000237447203 176287385 /nfs/dbraw/zinc/28/73/85/176287385.db2.gz NNEIPNXTONGDPY-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000237514568 398111698 /nfs/dbraw/zinc/11/16/98/398111698.db2.gz OVISJUZQMQHOOK-KOLCDFICSA-N 1 3 211.309 -0.003 20 0 BBADHO C[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCCN1 ZINC000237515519 388395507 /nfs/dbraw/zinc/39/55/07/388395507.db2.gz OVISJUZQMQHOOK-ONGXEEELSA-N 1 3 211.309 -0.003 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)CNC[C@@H]1CCCO1 ZINC000237530950 388396203 /nfs/dbraw/zinc/39/62/03/388396203.db2.gz MPXDZMDTNBSMBF-ZJUUUORDSA-N 1 3 229.324 -0.534 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)CNC[C@H]1CCCO1 ZINC000237530986 388395468 /nfs/dbraw/zinc/39/54/68/388395468.db2.gz MPXDZMDTNBSMBF-NXEZZACHSA-N 1 3 229.324 -0.534 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)C[C@@H]1CSCCN1 ZINC000237535356 388396164 /nfs/dbraw/zinc/39/61/64/388396164.db2.gz PCFBYHMRDQVDNT-RKDXNWHRSA-N 1 3 231.365 -0.208 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)C[C@H]1CSCCN1 ZINC000237536237 388395537 /nfs/dbraw/zinc/39/55/37/388395537.db2.gz PCFBYHMRDQVDNT-BDAKNGLRSA-N 1 3 231.365 -0.208 20 0 BBADHO C[C@H]1CN(C(=O)C[NH2+]C2CC2)[C@@H](C)CN1 ZINC000237598421 343152515 /nfs/dbraw/zinc/15/25/15/343152515.db2.gz MLTDJNPGQNNZNL-IUCAKERBSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C[NH2+]C1CC1 ZINC000237598455 343152420 /nfs/dbraw/zinc/15/24/20/343152420.db2.gz MLTDJNPGQNNZNL-DTWKUNHWSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1CSCCN1 ZINC000237611332 343157765 /nfs/dbraw/zinc/15/77/65/343157765.db2.gz GOJVWHUZDCXRFB-RKDXNWHRSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)C[C@H]1CSCCN1 ZINC000237612212 343157728 /nfs/dbraw/zinc/15/77/28/343157728.db2.gz GOJVWHUZDCXRFB-BDAKNGLRSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@@H]1CN(CCCCNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237622517 177247722 /nfs/dbraw/zinc/24/77/22/177247722.db2.gz NNEIPNXTONGDPY-PHIMTYICSA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@H]1CN(CCCCNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237622552 177247943 /nfs/dbraw/zinc/24/79/43/177247943.db2.gz NNEIPNXTONGDPY-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000237769234 398112576 /nfs/dbraw/zinc/11/25/76/398112576.db2.gz OVISJUZQMQHOOK-MWLCHTKSSA-N 1 3 211.309 -0.003 20 0 BBADHO C[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCCN1 ZINC000237770264 177456488 /nfs/dbraw/zinc/45/64/88/177456488.db2.gz OVISJUZQMQHOOK-GXSJLCMTSA-N 1 3 211.309 -0.003 20 0 BBADHO NC1(C(=O)NCCN2CC[NH2+]CC2)CCCC1 ZINC000237790807 487515961 /nfs/dbraw/zinc/51/59/61/487515961.db2.gz IIQVLMPQHAYCTK-UHFFFAOYSA-N 1 3 240.351 -0.721 20 0 BBADHO [NH3+]C[C@H](NC(=O)CNC[C@@H]1CCCO1)C1CC1 ZINC000237868901 487528778 /nfs/dbraw/zinc/52/87/78/487528778.db2.gz RWXZDXXMIATPGY-QWRGUYRKSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@H](NC(=O)CNC[C@H]1CCCO1)C1CC1 ZINC000237868963 487529141 /nfs/dbraw/zinc/52/91/41/487529141.db2.gz RWXZDXXMIATPGY-MNOVXSKESA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@H](NC(=O)C[C@@H]1CSCCN1)C1CC1 ZINC000237875922 343214617 /nfs/dbraw/zinc/21/46/17/343214617.db2.gz GETSQPNLDYXPMY-ZJUUUORDSA-N 1 3 243.376 -0.065 20 0 BBADHO [NH3+]C[C@H](NC(=O)C[C@H]1CSCCN1)C1CC1 ZINC000237876425 343214666 /nfs/dbraw/zinc/21/46/66/343214666.db2.gz GETSQPNLDYXPMY-UWVGGRQHSA-N 1 3 243.376 -0.065 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)NCC[NH2+]C1CC1 ZINC000237898977 487531086 /nfs/dbraw/zinc/53/10/86/487531086.db2.gz QXWBUSNCVMIJEI-NSHDSACASA-N 1 3 241.335 -0.377 20 0 BBADHO [NH3+][C@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000237923316 388399602 /nfs/dbraw/zinc/39/96/02/388399602.db2.gz MQAAXIDEKIBMJZ-DTWKUNHWSA-N 1 3 229.349 -0.359 20 0 BBADHO [NH3+][C@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000237923410 387143219 /nfs/dbraw/zinc/14/32/19/387143219.db2.gz MQAAXIDEKIBMJZ-IUCAKERBSA-N 1 3 229.349 -0.359 20 0 BBADHO O=C(CNC[C@H]1CCCO1)NCC[NH2+]C1CC1 ZINC000237929796 487535269 /nfs/dbraw/zinc/53/52/69/487535269.db2.gz QXWBUSNCVMIJEI-LLVKDONJSA-N 1 3 241.335 -0.377 20 0 BBADHO [NH3+][C@@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000237982355 387224445 /nfs/dbraw/zinc/22/44/45/387224445.db2.gz MQAAXIDEKIBMJZ-RKDXNWHRSA-N 1 3 229.349 -0.359 20 0 BBADHO [NH3+][C@@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000237982396 387223918 /nfs/dbraw/zinc/22/39/18/387223918.db2.gz MQAAXIDEKIBMJZ-BDAKNGLRSA-N 1 3 229.349 -0.359 20 0 BBADHO [NH3+][C@@H](CNC(=O)C[C@@H]1CSCCN1)C1CC1 ZINC000237989570 388399916 /nfs/dbraw/zinc/39/99/16/388399916.db2.gz GXHQTYHUOQCCBZ-ZJUUUORDSA-N 1 3 243.376 -0.065 20 0 BBADHO [NH3+][C@@H](CNC(=O)C[C@H]1CSCCN1)C1CC1 ZINC000237990120 388400140 /nfs/dbraw/zinc/40/01/40/388400140.db2.gz GXHQTYHUOQCCBZ-UWVGGRQHSA-N 1 3 243.376 -0.065 20 0 BBADHO [NH3+][C@@H](CNC(=O)[C@@H]1CCCCN1)C1CC1 ZINC000237999695 343221750 /nfs/dbraw/zinc/22/17/50/343221750.db2.gz ZNYKJURKVMDTBP-UWVGGRQHSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+][C@@H](CNC(=O)[C@H]1CCCCN1)C1CC1 ZINC000238010021 343237356 /nfs/dbraw/zinc/23/73/56/343237356.db2.gz ZNYKJURKVMDTBP-VHSXEESVSA-N 1 3 211.309 -0.018 20 0 BBADHO O=C(C[C@@H]1CSCCN1)NCC[NH2+]C1CC1 ZINC000238053805 487559914 /nfs/dbraw/zinc/55/99/14/487559914.db2.gz YKIMTTHAKWKKRN-SNVBAGLBSA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(C[C@@H]1CSCCN1)N[C@@H]1CCC[NH2+]C1 ZINC000238061126 387931478 /nfs/dbraw/zinc/93/14/78/387931478.db2.gz UDQIJSWXBYYPDD-NXEZZACHSA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(C[C@@H]1CSCCN1)N[C@H]1CCC[NH2+]C1 ZINC000238062631 387931281 /nfs/dbraw/zinc/93/12/81/387931281.db2.gz UDQIJSWXBYYPDD-VHSXEESVSA-N 1 3 243.376 -0.050 20 0 BBADHO [NH3+]C[C@@H](NC(=O)CNC[C@@H]1CCCO1)C1CC1 ZINC000238064039 487559027 /nfs/dbraw/zinc/55/90/27/487559027.db2.gz RWXZDXXMIATPGY-WDEREUQCSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@@H](NC(=O)CNC[C@H]1CCCO1)C1CC1 ZINC000238064092 487558717 /nfs/dbraw/zinc/55/87/17/487558717.db2.gz RWXZDXXMIATPGY-GHMZBOCLSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@@H](NC(=O)C[C@@H]1CSCCN1)C1CC1 ZINC000238067903 343239662 /nfs/dbraw/zinc/23/96/62/343239662.db2.gz GETSQPNLDYXPMY-NXEZZACHSA-N 1 3 243.376 -0.065 20 0 BBADHO [NH3+]C[C@@H](NC(=O)C[C@H]1CSCCN1)C1CC1 ZINC000238068288 343239204 /nfs/dbraw/zinc/23/92/04/343239204.db2.gz GETSQPNLDYXPMY-VHSXEESVSA-N 1 3 243.376 -0.065 20 0 BBADHO O=C(C[C@H]1CSCCN1)NCC[NH2+]C1CC1 ZINC000238087157 488157852 /nfs/dbraw/zinc/15/78/52/488157852.db2.gz YKIMTTHAKWKKRN-JTQLQIEISA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(C[C@H]1CSCCN1)N[C@@H]1CCC[NH2+]C1 ZINC000238092237 387930859 /nfs/dbraw/zinc/93/08/59/387930859.db2.gz UDQIJSWXBYYPDD-ZJUUUORDSA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(C[C@H]1CSCCN1)N[C@H]1CCC[NH2+]C1 ZINC000238093482 387931148 /nfs/dbraw/zinc/93/11/48/387931148.db2.gz UDQIJSWXBYYPDD-UWVGGRQHSA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(NCC[NH2+]C1CC1)[C@@H]1CCCCN1 ZINC000238101205 487638467 /nfs/dbraw/zinc/63/84/67/487638467.db2.gz JIZFKBRTYLSALX-JTQLQIEISA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(NCC[NH2+]C1CC1)[C@H]1CCCCN1 ZINC000238103425 487561950 /nfs/dbraw/zinc/56/19/50/487561950.db2.gz JIZFKBRTYLSALX-SNVBAGLBSA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000238116616 182294372 /nfs/dbraw/zinc/29/43/72/182294372.db2.gz CDOAYGVBWNASBL-ZJUUUORDSA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000238141666 182329342 /nfs/dbraw/zinc/32/93/42/182329342.db2.gz CDOAYGVBWNASBL-UWVGGRQHSA-N 1 3 211.309 -0.003 20 0 BBADHO NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000238544497 385216153 /nfs/dbraw/zinc/21/61/53/385216153.db2.gz GBCBHYGJABZYKG-NXEZZACHSA-N 1 3 211.309 -0.207 20 0 BBADHO NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000238544568 388402067 /nfs/dbraw/zinc/40/20/67/388402067.db2.gz GBCBHYGJABZYKG-ZJUUUORDSA-N 1 3 211.309 -0.207 20 0 BBADHO O=C([C@H]1CC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000245407151 384976500 /nfs/dbraw/zinc/97/65/00/384976500.db2.gz ZQMWCKOJXCZEGG-QWRGUYRKSA-N 1 3 223.320 -0.098 20 0 BBADHO O[C@@H]1CCN(CCOCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000245502034 411277550 /nfs/dbraw/zinc/27/75/50/411277550.db2.gz BLKUKMCIJUWVIZ-VXGBXAGGSA-N 1 3 244.335 -0.864 20 0 BBADHO O[C@@H]1CCN(CCOCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000245502034 411277547 /nfs/dbraw/zinc/27/75/47/411277547.db2.gz BLKUKMCIJUWVIZ-VXGBXAGGSA-N 1 3 244.335 -0.864 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000246292053 388027892 /nfs/dbraw/zinc/02/78/92/388027892.db2.gz NKGXPEFMMNCFTH-ATZCPNFKSA-N 1 3 229.299 -0.068 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000246292064 388028003 /nfs/dbraw/zinc/02/80/03/388028003.db2.gz NKGXPEFMMNCFTH-IQJOONFLSA-N 1 3 229.299 -0.068 20 0 BBADHO CNCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246480774 173328181 /nfs/dbraw/zinc/32/81/81/173328181.db2.gz LJJPWSSKBJUAPJ-ZJUUUORDSA-N 1 3 211.309 -0.099 20 0 BBADHO CNCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246480774 173328180 /nfs/dbraw/zinc/32/81/80/173328180.db2.gz LJJPWSSKBJUAPJ-ZJUUUORDSA-N 1 3 211.309 -0.099 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H](C)N1 ZINC000246901936 635655082 /nfs/dbraw/zinc/65/50/82/635655082.db2.gz JTZOJGKSRKCADL-FXPVBKGRSA-N 1 3 229.299 -0.103 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H](C)N1 ZINC000246901953 643288632 /nfs/dbraw/zinc/28/86/32/643288632.db2.gz JTZOJGKSRKCADL-WCABBAIRSA-N 1 3 229.299 -0.103 20 0 BBADHO O[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](O)C2)C1 ZINC000248147486 537810350 /nfs/dbraw/zinc/81/03/50/537810350.db2.gz ZXSNJCWDOWUDJX-NUYITTKVSA-N 1 3 226.320 -0.324 20 0 BBADHO O[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000248147486 537810342 /nfs/dbraw/zinc/81/03/42/537810342.db2.gz ZXSNJCWDOWUDJX-NUYITTKVSA-N 1 3 226.320 -0.324 20 0 BBADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248399914 536371229 /nfs/dbraw/zinc/37/12/29/536371229.db2.gz WPEVFRWODQXXJN-GRYCIOLGSA-N 1 3 228.336 -0.102 20 0 BBADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248399914 536371228 /nfs/dbraw/zinc/37/12/28/536371228.db2.gz WPEVFRWODQXXJN-GRYCIOLGSA-N 1 3 228.336 -0.102 20 0 BBADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000248399915 536371072 /nfs/dbraw/zinc/37/10/72/536371072.db2.gz WPEVFRWODQXXJN-UTUOFQBUSA-N 1 3 228.336 -0.102 20 0 BBADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000248399915 536371071 /nfs/dbraw/zinc/37/10/71/536371071.db2.gz WPEVFRWODQXXJN-UTUOFQBUSA-N 1 3 228.336 -0.102 20 0 BBADHO CC(C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000248492863 384339754 /nfs/dbraw/zinc/33/97/54/384339754.db2.gz OTYVYNRIYUAMHJ-HRDYMLBCSA-N 1 3 248.348 -0.466 20 0 BBADHO CC(C(=O)N[C@H]1C[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000248492864 384339668 /nfs/dbraw/zinc/33/96/68/384339668.db2.gz OTYVYNRIYUAMHJ-VGMNWLOBSA-N 1 3 248.348 -0.466 20 0 BBADHO CC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248647300 135018323 /nfs/dbraw/zinc/01/83/23/135018323.db2.gz SXJWKKOBJHXHJM-AATLWQCWSA-N 1 3 211.309 -0.081 20 0 BBADHO CC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248647302 135018412 /nfs/dbraw/zinc/01/84/12/135018412.db2.gz SXJWKKOBJHXHJM-XKNYDFJKSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000248897253 135026076 /nfs/dbraw/zinc/02/60/76/135026076.db2.gz XXFRUTZERFZERQ-ATZCPNFKSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000248897255 135025901 /nfs/dbraw/zinc/02/59/01/135025901.db2.gz XXFRUTZERFZERQ-IQJOONFLSA-N 1 3 229.299 -0.055 20 0 BBADHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)C2)C1 ZINC000249749158 349173268 /nfs/dbraw/zinc/17/32/68/349173268.db2.gz PSWUIKIPRRAYEI-UWVGGRQHSA-N 1 3 226.324 -0.306 20 0 BBADHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C)C2)C1 ZINC000249749158 349173264 /nfs/dbraw/zinc/17/32/64/349173264.db2.gz PSWUIKIPRRAYEI-UWVGGRQHSA-N 1 3 226.324 -0.306 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000249883918 135047384 /nfs/dbraw/zinc/04/73/84/135047384.db2.gz HYLQVQXXDYYOGW-FXPVBKGRSA-N 1 3 229.299 -0.198 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000249883920 135047121 /nfs/dbraw/zinc/04/71/21/135047121.db2.gz HYLQVQXXDYYOGW-WCABBAIRSA-N 1 3 229.299 -0.198 20 0 BBADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000250237425 359287358 /nfs/dbraw/zinc/28/73/58/359287358.db2.gz GXIKQGHXZNNABY-GMTAPVOTSA-N 1 3 241.335 -0.690 20 0 BBADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000250237432 359287386 /nfs/dbraw/zinc/28/73/86/359287386.db2.gz GXIKQGHXZNNABY-OUAUKWLOSA-N 1 3 241.335 -0.690 20 0 BBADHO CN(C[C@@H](O)C[NH3+])C[C@H]1CCCOC1 ZINC000250419908 135055214 /nfs/dbraw/zinc/05/52/14/135055214.db2.gz PCTSCDNDWYPYQD-ZJUUUORDSA-N 1 3 202.298 -0.336 20 0 BBADHO C[N@@H+](C[C@@H](O)CN)C[C@H]1CCCOC1 ZINC000250419908 135055213 /nfs/dbraw/zinc/05/52/13/135055213.db2.gz PCTSCDNDWYPYQD-ZJUUUORDSA-N 1 3 202.298 -0.336 20 0 BBADHO C[N@H+](C[C@@H](O)CN)C[C@H]1CCCOC1 ZINC000250419908 135055210 /nfs/dbraw/zinc/05/52/10/135055210.db2.gz PCTSCDNDWYPYQD-ZJUUUORDSA-N 1 3 202.298 -0.336 20 0 BBADHO COC[C@@H](O)C[N@H+]1CCCC[C@H]1CN ZINC000250483256 644759807 /nfs/dbraw/zinc/75/98/07/644759807.db2.gz XQEXRAWSHMDUQM-UWVGGRQHSA-N 1 3 202.298 -0.193 20 0 BBADHO COC[C@@H](O)C[N@@H+]1CCCC[C@H]1CN ZINC000250483256 644759802 /nfs/dbraw/zinc/75/98/02/644759802.db2.gz XQEXRAWSHMDUQM-UWVGGRQHSA-N 1 3 202.298 -0.193 20 0 BBADHO COC[C@H](O)C[N@H+]1CCCC[C@H]1CN ZINC000250483260 644759240 /nfs/dbraw/zinc/75/92/40/644759240.db2.gz XQEXRAWSHMDUQM-VHSXEESVSA-N 1 3 202.298 -0.193 20 0 BBADHO COC[C@H](O)C[N@@H+]1CCCC[C@H]1CN ZINC000250483260 644759238 /nfs/dbraw/zinc/75/92/38/644759238.db2.gz XQEXRAWSHMDUQM-VHSXEESVSA-N 1 3 202.298 -0.193 20 0 BBADHO CN1CCC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250642545 487737495 /nfs/dbraw/zinc/73/74/95/487737495.db2.gz UFZUQAGUJVCUIB-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO CN1CCC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250642547 487737406 /nfs/dbraw/zinc/73/74/06/487737406.db2.gz UFZUQAGUJVCUIB-QWRGUYRKSA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@@H](C[NH3+])C(=O)N1CCN2CCC[C@H]2C1 ZINC000251068191 384912337 /nfs/dbraw/zinc/91/23/37/384912337.db2.gz DWIOXRBYDCNLBK-UWVGGRQHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[C@H](C[NH3+])C(=O)N1CCN2CCC[C@H]2C1 ZINC000251068194 384912541 /nfs/dbraw/zinc/91/25/41/384912541.db2.gz DWIOXRBYDCNLBK-ZJUUUORDSA-N 1 3 211.309 -0.112 20 0 BBADHO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000251411777 385954061 /nfs/dbraw/zinc/95/40/61/385954061.db2.gz RCZFMOCBPZKDKE-AXFHLTTASA-N 1 3 239.319 -0.984 20 0 BBADHO CC[C@H]1CN(CCC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251619861 369870853 /nfs/dbraw/zinc/87/08/53/369870853.db2.gz DYYDBJXNTOVFCG-DTWKUNHWSA-N 1 3 242.323 -0.369 20 0 BBADHO CC[C@@H]1CN(CCC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251619868 369871164 /nfs/dbraw/zinc/87/11/64/369871164.db2.gz DYYDBJXNTOVFCG-RKDXNWHRSA-N 1 3 242.323 -0.369 20 0 BBADHO COC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251746669 644820352 /nfs/dbraw/zinc/82/03/52/644820352.db2.gz LDEFETMCSSSGRL-AEJSXWLSSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251746674 644820846 /nfs/dbraw/zinc/82/08/46/644820846.db2.gz LDEFETMCSSSGRL-BBBLOLIVSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251746680 644820641 /nfs/dbraw/zinc/82/06/41/644820641.db2.gz LDEFETMCSSSGRL-OPRDCNLKSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@H]1CN(CC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251836157 644825736 /nfs/dbraw/zinc/82/57/36/644825736.db2.gz PZOWRMYNJTUQMC-UWVGGRQHSA-N 1 3 213.325 -0.009 20 0 BBADHO C[C@@H]1CN(CC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251836159 644825456 /nfs/dbraw/zinc/82/54/56/644825456.db2.gz PZOWRMYNJTUQMC-ZJUUUORDSA-N 1 3 213.325 -0.009 20 0 BBADHO CC[NH2+]CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252537825 635708616 /nfs/dbraw/zinc/70/86/16/635708616.db2.gz ABAQWSAOAJUMFU-QWRGUYRKSA-N 1 3 241.335 -0.425 20 0 BBADHO CC[NH2+]CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252537826 644865222 /nfs/dbraw/zinc/86/52/22/644865222.db2.gz ABAQWSAOAJUMFU-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@H](O)CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539086 644865350 /nfs/dbraw/zinc/86/53/50/644865350.db2.gz BEDARNKDPNEIDI-DCAQKATOSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539086 644865345 /nfs/dbraw/zinc/86/53/45/644865345.db2.gz BEDARNKDPNEIDI-DCAQKATOSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@H](O)CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539087 644864943 /nfs/dbraw/zinc/86/49/43/644864943.db2.gz BEDARNKDPNEIDI-GARJFASQSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539087 644864940 /nfs/dbraw/zinc/86/49/40/644864940.db2.gz BEDARNKDPNEIDI-GARJFASQSA-N 1 3 214.309 -0.180 20 0 BBADHO CC[C@@H]([NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252539339 644865120 /nfs/dbraw/zinc/86/51/20/644865120.db2.gz BKHVPKCSERCAJV-GARJFASQSA-N 1 3 241.335 -0.297 20 0 BBADHO CC[C@@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252539340 644865508 /nfs/dbraw/zinc/86/55/08/644865508.db2.gz BKHVPKCSERCAJV-HBNTYKKESA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H](C[NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252542632 135092231 /nfs/dbraw/zinc/09/22/31/135092231.db2.gz GDCNJAHXMCRHCZ-OUAUKWLOSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H](C[NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252542633 135092330 /nfs/dbraw/zinc/09/23/30/135092330.db2.gz GDCNJAHXMCRHCZ-VWYCJHECSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]([NH3+])CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252544109 644865135 /nfs/dbraw/zinc/86/51/35/644865135.db2.gz HVLHFQPAGFFKLX-DCAQKATOSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]([NH3+])CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252544110 644865202 /nfs/dbraw/zinc/86/52/02/644865202.db2.gz HVLHFQPAGFFKLX-GARJFASQSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]([NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252546360 644865434 /nfs/dbraw/zinc/86/54/34/644865434.db2.gz KLRFKRLZMAQFSW-GUBZILKMSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252546361 644864966 /nfs/dbraw/zinc/86/49/66/644864966.db2.gz KLRFKRLZMAQFSW-KXUCPTDWSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252546362 644864683 /nfs/dbraw/zinc/86/46/83/644864683.db2.gz KLRFKRLZMAQFSW-LPEHRKFASA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]([NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252546363 644865009 /nfs/dbraw/zinc/86/50/09/644865009.db2.gz KLRFKRLZMAQFSW-UTLUCORTSA-N 1 3 227.308 -0.687 20 0 BBADHO C[NH2+]CCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252554609 135092279 /nfs/dbraw/zinc/09/22/79/135092279.db2.gz RSKIWVPRURBOBG-QWRGUYRKSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]CCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252554610 135091954 /nfs/dbraw/zinc/09/19/54/135091954.db2.gz RSKIWVPRURBOBG-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO CC(C)([NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252557332 135092265 /nfs/dbraw/zinc/09/22/65/135092265.db2.gz UBOBYWOSPLUXCW-UWVGGRQHSA-N 1 3 241.335 -0.297 20 0 BBADHO CC(C)([NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252557334 135092308 /nfs/dbraw/zinc/09/23/08/135092308.db2.gz UBOBYWOSPLUXCW-VHSXEESVSA-N 1 3 241.335 -0.297 20 0 BBADHO C[NH2+]CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252562734 644864489 /nfs/dbraw/zinc/86/44/89/644864489.db2.gz WYAGOKWPXYUHRU-UWVGGRQHSA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+]CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252562735 644865157 /nfs/dbraw/zinc/86/51/57/644865157.db2.gz WYAGOKWPXYUHRU-VHSXEESVSA-N 1 3 227.308 -0.815 20 0 BBADHO CCNC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252666977 635711823 /nfs/dbraw/zinc/71/18/23/635711823.db2.gz DRMLCNNUIAQYMZ-UWVGGRQHSA-N 1 3 226.324 -0.017 20 0 BBADHO CCNC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252666978 644874031 /nfs/dbraw/zinc/87/40/31/644874031.db2.gz DRMLCNNUIAQYMZ-VHSXEESVSA-N 1 3 226.324 -0.017 20 0 BBADHO CNC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667646 135095900 /nfs/dbraw/zinc/09/59/00/135095900.db2.gz NDULMFGQAYCHDX-DTWKUNHWSA-N 1 3 212.297 -0.407 20 0 BBADHO CNC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252667647 135096001 /nfs/dbraw/zinc/09/60/01/135096001.db2.gz NDULMFGQAYCHDX-IUCAKERBSA-N 1 3 212.297 -0.407 20 0 BBADHO COC[C@H](O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000252688589 644880990 /nfs/dbraw/zinc/88/09/90/644880990.db2.gz OTNZXJZQLCYFCB-KXUCPTDWSA-N 1 3 202.298 -0.195 20 0 BBADHO COC[C@H](O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000252688590 644880875 /nfs/dbraw/zinc/88/08/75/644880875.db2.gz OTNZXJZQLCYFCB-LPEHRKFASA-N 1 3 202.298 -0.195 20 0 BBADHO COC[C@H](O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000252688591 644880404 /nfs/dbraw/zinc/88/04/04/644880404.db2.gz OTNZXJZQLCYFCB-OPRDCNLKSA-N 1 3 202.298 -0.195 20 0 BBADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H](O)CN(C)C ZINC000252712586 385212014 /nfs/dbraw/zinc/21/20/14/385212014.db2.gz MUKMVTBIJDXHGF-GRYCIOLGSA-N 1 3 229.368 -0.161 20 0 BBADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H](O)CN(C)C ZINC000252712587 385211708 /nfs/dbraw/zinc/21/17/08/385211708.db2.gz MUKMVTBIJDXHGF-IJLUTSLNSA-N 1 3 229.368 -0.161 20 0 BBADHO CO[C@H]1CC[N@@H+](CCC(=O)N(C)C)[C@H](CN)C1 ZINC000252776906 349214596 /nfs/dbraw/zinc/21/45/96/349214596.db2.gz PRDGGXFRXVUDBF-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H]1CC[N@H+](CCC(=O)N(C)C)[C@H](CN)C1 ZINC000252776906 349214594 /nfs/dbraw/zinc/21/45/94/349214594.db2.gz PRDGGXFRXVUDBF-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H]1CC[N@@H+](CCC(=O)N(C)C)[C@H](CN)C1 ZINC000252776908 349214264 /nfs/dbraw/zinc/21/42/64/349214264.db2.gz PRDGGXFRXVUDBF-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H]1CC[N@H+](CCC(=O)N(C)C)[C@H](CN)C1 ZINC000252776908 349214260 /nfs/dbraw/zinc/21/42/60/349214260.db2.gz PRDGGXFRXVUDBF-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CC(C(=O)N[C@@H](C)C[C@H](C)[NH3+])S(C)(=O)=O ZINC000252877877 349220932 /nfs/dbraw/zinc/22/09/32/349220932.db2.gz WYCMXIHRFVHROD-FXQIFTODSA-N 1 3 236.337 -0.339 20 0 BBADHO CC(C(=O)N[C@H](C)C[C@H](C)[NH3+])S(C)(=O)=O ZINC000252877879 349220940 /nfs/dbraw/zinc/22/09/40/349220940.db2.gz WYCMXIHRFVHROD-RNJXMRFFSA-N 1 3 236.337 -0.339 20 0 BBADHO COC[C@H](O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253200213 644943720 /nfs/dbraw/zinc/94/37/20/644943720.db2.gz XCAJHMOZGXTPEU-GARJFASQSA-N 1 3 216.325 -0.090 20 0 BBADHO COC[C@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200215 644942963 /nfs/dbraw/zinc/94/29/63/644942963.db2.gz XCAJHMOZGXTPEU-GMTAPVOTSA-N 1 3 216.325 -0.090 20 0 BBADHO COC[C@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200541 642947564 /nfs/dbraw/zinc/94/75/64/642947564.db2.gz XCAJHMOZGXTPEU-HBNTYKKESA-N 1 3 216.325 -0.090 20 0 BBADHO O[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](O)C2)C1 ZINC000255077190 538008529 /nfs/dbraw/zinc/00/85/29/538008529.db2.gz ZXSNJCWDOWUDJX-JZIZGNRHSA-N 1 3 226.320 -0.324 20 0 BBADHO O[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000255077190 538008520 /nfs/dbraw/zinc/00/85/20/538008520.db2.gz ZXSNJCWDOWUDJX-JZIZGNRHSA-N 1 3 226.320 -0.324 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000257361959 384923405 /nfs/dbraw/zinc/92/34/05/384923405.db2.gz FERZFXCNIJJFTG-FKTZTGRPSA-N 1 3 209.293 -0.314 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000257361962 384925546 /nfs/dbraw/zinc/92/55/46/384925546.db2.gz FERZFXCNIJJFTG-UJNFCWOMSA-N 1 3 209.293 -0.314 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000257362032 384924112 /nfs/dbraw/zinc/92/41/12/384924112.db2.gz XEHWAGGQLDKVHY-KXUCPTDWSA-N 1 3 209.293 -0.360 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000257362033 384923772 /nfs/dbraw/zinc/92/37/72/384923772.db2.gz XEHWAGGQLDKVHY-LPEHRKFASA-N 1 3 209.293 -0.360 20 0 BBADHO CN1CCC(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000257736198 384924069 /nfs/dbraw/zinc/92/40/69/384924069.db2.gz VYJLCQIBKICSFJ-JTQLQIEISA-N 1 3 211.309 -0.194 20 0 BBADHO CN1CCC(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000257736199 517943737 /nfs/dbraw/zinc/94/37/37/517943737.db2.gz VYJLCQIBKICSFJ-SNVBAGLBSA-N 1 3 211.309 -0.194 20 0 BBADHO [NH3+]CCCN1CC[C@@H](CN2CCOCC2)C1 ZINC000257746057 349482707 /nfs/dbraw/zinc/48/27/07/349482707.db2.gz FJGJAKUKFAAEMZ-GFCCVEGCSA-N 1 3 227.352 -0.011 20 0 BBADHO [NH3+]CCCN1CC[C@H](CN2CCOCC2)C1 ZINC000257746059 349483009 /nfs/dbraw/zinc/48/30/09/349483009.db2.gz FJGJAKUKFAAEMZ-LBPRGKRZSA-N 1 3 227.352 -0.011 20 0 BBADHO [NH3+]CCN1CCC(CN2CCOCC2)CC1 ZINC000257762230 135100214 /nfs/dbraw/zinc/10/02/14/135100214.db2.gz XTCSRULWIXWEEJ-UHFFFAOYSA-N 1 3 227.352 -0.011 20 0 BBADHO CN(C)CCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000257968291 535887103 /nfs/dbraw/zinc/88/71/03/535887103.db2.gz BRNXNHSAZMDDPY-JTQLQIEISA-N 1 3 228.340 -0.011 20 0 BBADHO CN(C)CCNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000257968293 535885078 /nfs/dbraw/zinc/88/50/78/535885078.db2.gz BRNXNHSAZMDDPY-SNVBAGLBSA-N 1 3 228.340 -0.011 20 0 BBADHO CN(C)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000258118989 384931280 /nfs/dbraw/zinc/93/12/80/384931280.db2.gz LGPSILSLYVDOSZ-SECBINFHSA-N 1 3 214.313 -0.401 20 0 BBADHO CN(C)CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000258118991 384930497 /nfs/dbraw/zinc/93/04/97/384930497.db2.gz LGPSILSLYVDOSZ-VIFPVBQESA-N 1 3 214.313 -0.401 20 0 BBADHO CN(C)CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000258121074 385539281 /nfs/dbraw/zinc/53/92/81/385539281.db2.gz LILPHMCUVGQTGU-JTQLQIEISA-N 1 3 228.340 -0.011 20 0 BBADHO CN(C)CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000258121075 385539159 /nfs/dbraw/zinc/53/91/59/385539159.db2.gz LILPHMCUVGQTGU-SNVBAGLBSA-N 1 3 228.340 -0.011 20 0 BBADHO CN(C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000258158380 385542525 /nfs/dbraw/zinc/54/25/25/385542525.db2.gz NJEQVCYFNAEEMY-MRVPVSSYSA-N 1 3 200.286 -0.791 20 0 BBADHO CN(C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000258158382 349492775 /nfs/dbraw/zinc/49/27/75/349492775.db2.gz NJEQVCYFNAEEMY-QMMMGPOBSA-N 1 3 200.286 -0.791 20 0 BBADHO CN1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000258304994 349505143 /nfs/dbraw/zinc/50/51/43/349505143.db2.gz CPOKVAQMKMGMPO-JTQLQIEISA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000258304998 384559169 /nfs/dbraw/zinc/55/91/69/384559169.db2.gz CPOKVAQMKMGMPO-SNVBAGLBSA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC[C@H]1CNC(=O)NCC1C[NH2+]C1 ZINC000258495631 384601725 /nfs/dbraw/zinc/60/17/25/384601725.db2.gz LUNSWBFFCFAHPV-JTQLQIEISA-N 1 3 226.324 -0.401 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)NCC1C[NH2+]C1 ZINC000258495642 384600902 /nfs/dbraw/zinc/60/09/02/384600902.db2.gz LUNSWBFFCFAHPV-SNVBAGLBSA-N 1 3 226.324 -0.401 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000258575641 536373523 /nfs/dbraw/zinc/37/35/23/536373523.db2.gz PNTGCMQNRCGGOX-NXEZZACHSA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000258575652 135132780 /nfs/dbraw/zinc/13/27/80/135132780.db2.gz PNTGCMQNRCGGOX-UWVGGRQHSA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000258575674 536373345 /nfs/dbraw/zinc/37/33/45/536373345.db2.gz PNTGCMQNRCGGOX-VHSXEESVSA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000258575687 135132872 /nfs/dbraw/zinc/13/28/72/135132872.db2.gz PNTGCMQNRCGGOX-ZJUUUORDSA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000258579579 384617358 /nfs/dbraw/zinc/61/73/58/384617358.db2.gz PVEXIVNRNUINTM-NXEZZACHSA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000258579584 487562694 /nfs/dbraw/zinc/56/26/94/487562694.db2.gz PVEXIVNRNUINTM-UWVGGRQHSA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000258579588 488123064 /nfs/dbraw/zinc/12/30/64/488123064.db2.gz PVEXIVNRNUINTM-VHSXEESVSA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000258579593 384615994 /nfs/dbraw/zinc/61/59/94/384615994.db2.gz PVEXIVNRNUINTM-ZJUUUORDSA-N 1 3 226.324 -0.258 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000258586367 384616537 /nfs/dbraw/zinc/61/65/37/384616537.db2.gz QBSTYRKMEWWSCT-SECBINFHSA-N 1 3 214.313 -0.271 20 0 BBADHO CN1CCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000258586393 384616601 /nfs/dbraw/zinc/61/66/01/384616601.db2.gz QBSTYRKMEWWSCT-VIFPVBQESA-N 1 3 214.313 -0.271 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)NCC[NH3+] ZINC000258742934 384654083 /nfs/dbraw/zinc/65/40/83/384654083.db2.gz WEVNXHVWADMHEU-MRVPVSSYSA-N 1 3 200.286 -0.662 20 0 BBADHO CN1CCC[C@H]1CNC(=O)NCC[NH3+] ZINC000258742944 384654292 /nfs/dbraw/zinc/65/42/92/384654292.db2.gz WEVNXHVWADMHEU-QMMMGPOBSA-N 1 3 200.286 -0.662 20 0 BBADHO CN1CCC[C@@H](C[N@@H+](C)C[C@@H](O)CO)C1 ZINC000258988014 635231754 /nfs/dbraw/zinc/23/17/54/635231754.db2.gz MIBNFDNADDXVQT-GHMZBOCLSA-N 1 3 216.325 -0.387 20 0 BBADHO CN1CCC[C@@H](C[N@H+](C)C[C@@H](O)CO)C1 ZINC000258988014 635231746 /nfs/dbraw/zinc/23/17/46/635231746.db2.gz MIBNFDNADDXVQT-GHMZBOCLSA-N 1 3 216.325 -0.387 20 0 BBADHO CN1CCC[C@@H](C[N@@H+](C)C[C@H](O)CO)C1 ZINC000258988016 635230688 /nfs/dbraw/zinc/23/06/88/635230688.db2.gz MIBNFDNADDXVQT-MNOVXSKESA-N 1 3 216.325 -0.387 20 0 BBADHO CN1CCC[C@@H](C[N@H+](C)C[C@H](O)CO)C1 ZINC000258988016 635230684 /nfs/dbraw/zinc/23/06/84/635230684.db2.gz MIBNFDNADDXVQT-MNOVXSKESA-N 1 3 216.325 -0.387 20 0 BBADHO CN1CCC[C@H](C[N@@H+](C)C[C@H](O)CO)C1 ZINC000258988019 635232291 /nfs/dbraw/zinc/23/22/91/635232291.db2.gz MIBNFDNADDXVQT-QWRGUYRKSA-N 1 3 216.325 -0.387 20 0 BBADHO CN1CCC[C@H](C[N@H+](C)C[C@H](O)CO)C1 ZINC000258988019 635232288 /nfs/dbraw/zinc/23/22/88/635232288.db2.gz MIBNFDNADDXVQT-QWRGUYRKSA-N 1 3 216.325 -0.387 20 0 BBADHO CN1CCC[C@H](C[N@@H+](C)C[C@@H](O)CO)C1 ZINC000258988020 635230838 /nfs/dbraw/zinc/23/08/38/635230838.db2.gz MIBNFDNADDXVQT-WDEREUQCSA-N 1 3 216.325 -0.387 20 0 BBADHO CN1CCC[C@H](C[N@H+](C)C[C@@H](O)CO)C1 ZINC000258988020 635230835 /nfs/dbraw/zinc/23/08/35/635230835.db2.gz MIBNFDNADDXVQT-WDEREUQCSA-N 1 3 216.325 -0.387 20 0 BBADHO CN(CCOCC[NH3+])CCn1cccn1 ZINC000261531683 135160647 /nfs/dbraw/zinc/16/06/47/135160647.db2.gz HMCJPZUECHXXME-UHFFFAOYSA-N 1 3 212.297 -0.210 20 0 BBADHO [NH3+]CC1CCN(CCn2cncn2)CC1 ZINC000261532589 135163148 /nfs/dbraw/zinc/16/31/48/135163148.db2.gz JXAOFOUXHBGTGD-UHFFFAOYSA-N 1 3 209.297 -0.051 20 0 BBADHO C[C@@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000261533134 135163953 /nfs/dbraw/zinc/16/39/53/135163953.db2.gz ASZRSSVMSUBLOY-PSASIEDQSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000261533135 135164098 /nfs/dbraw/zinc/16/40/98/135164098.db2.gz ASZRSSVMSUBLOY-SCZZXKLOSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000261533136 135164197 /nfs/dbraw/zinc/16/41/97/135164197.db2.gz ASZRSSVMSUBLOY-WCBMZHEXSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000261533137 135164051 /nfs/dbraw/zinc/16/40/51/135164051.db2.gz ASZRSSVMSUBLOY-WPRPVWTQSA-N 1 3 231.365 -0.113 20 0 BBADHO CN1C[C@H](N[C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000261533257 135164018 /nfs/dbraw/zinc/16/40/18/135164018.db2.gz KNGADBARUQPOOY-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1C[C@H](N[C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000261533259 135163926 /nfs/dbraw/zinc/16/39/26/135163926.db2.gz KNGADBARUQPOOY-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1C[C@H](N[C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000261533261 135164031 /nfs/dbraw/zinc/16/40/31/135164031.db2.gz KNGADBARUQPOOY-IVZWLZJFSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1C[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000261533262 135164380 /nfs/dbraw/zinc/16/43/80/135164380.db2.gz KNGADBARUQPOOY-OPRDCNLKSA-N 1 3 211.309 -0.066 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@@H](C)[NH3+])C1 ZINC000261539292 536876624 /nfs/dbraw/zinc/87/66/24/536876624.db2.gz CBAMHVSNHXUMKT-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@H](C)[NH3+])C1 ZINC000261539293 135178188 /nfs/dbraw/zinc/17/81/88/135178188.db2.gz CBAMHVSNHXUMKT-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@H](C)[NH3+])C1 ZINC000261539294 536876663 /nfs/dbraw/zinc/87/66/63/536876663.db2.gz CBAMHVSNHXUMKT-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@@H](C)[NH3+])C1 ZINC000261539295 135177883 /nfs/dbraw/zinc/17/78/83/135177883.db2.gz CBAMHVSNHXUMKT-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[NH2+]CC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000261540574 536441328 /nfs/dbraw/zinc/44/13/28/536441328.db2.gz FEHKIYRIKOYIIO-JTQLQIEISA-N 1 3 231.365 -0.241 20 0 BBADHO C[NH2+]CC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000261540775 536440983 /nfs/dbraw/zinc/44/09/83/536440983.db2.gz FEHKIYRIKOYIIO-SNVBAGLBSA-N 1 3 231.365 -0.241 20 0 BBADHO CCN(C)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000261540897 135179839 /nfs/dbraw/zinc/17/98/39/135179839.db2.gz ANPKFSKNAAYPAY-GFCCVEGCSA-N 1 3 243.351 -0.320 20 0 BBADHO CCN(C)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261540898 135180178 /nfs/dbraw/zinc/18/01/78/135180178.db2.gz ANPKFSKNAAYPAY-LBPRGKRZSA-N 1 3 243.351 -0.320 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000261541358 536557941 /nfs/dbraw/zinc/55/79/41/536557941.db2.gz KFIXIEUVKALHTR-GMTAPVOTSA-N 1 3 241.335 -0.345 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000261541358 536557936 /nfs/dbraw/zinc/55/79/36/536557936.db2.gz KFIXIEUVKALHTR-GMTAPVOTSA-N 1 3 241.335 -0.345 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000261541359 536558163 /nfs/dbraw/zinc/55/81/63/536558163.db2.gz KFIXIEUVKALHTR-OUAUKWLOSA-N 1 3 241.335 -0.345 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000261541359 536558159 /nfs/dbraw/zinc/55/81/59/536558159.db2.gz KFIXIEUVKALHTR-OUAUKWLOSA-N 1 3 241.335 -0.345 20 0 BBADHO CNCC(=O)NCCC[N@@H+](C)CCOC ZINC000261541982 135181644 /nfs/dbraw/zinc/18/16/44/135181644.db2.gz GFSRBQYTSIBVOV-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO CNCC(=O)NCCC[N@H+](C)CCOC ZINC000261541982 135181643 /nfs/dbraw/zinc/18/16/43/135181643.db2.gz GFSRBQYTSIBVOV-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO CCN1CCC[C@@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000261542183 535560065 /nfs/dbraw/zinc/56/00/65/535560065.db2.gz NHAVQKYVOJYCRI-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CCN1CCC[C@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000261542184 535599346 /nfs/dbraw/zinc/59/93/46/535599346.db2.gz NHAVQKYVOJYCRI-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO CCN(CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000261542236 535732598 /nfs/dbraw/zinc/73/25/98/535732598.db2.gz OCKDJCVPUNYVCU-QWRGUYRKSA-N 1 3 241.335 -0.690 20 0 BBADHO CCN(CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000261542237 135182759 /nfs/dbraw/zinc/18/27/59/135182759.db2.gz OCKDJCVPUNYVCU-WDEREUQCSA-N 1 3 241.335 -0.690 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000261543793 135184531 /nfs/dbraw/zinc/18/45/31/135184531.db2.gz UYUJAXVOIBLIFX-GMTAPVOTSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000261543793 135184529 /nfs/dbraw/zinc/18/45/29/135184529.db2.gz UYUJAXVOIBLIFX-GMTAPVOTSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000261543794 135184975 /nfs/dbraw/zinc/18/49/75/135184975.db2.gz UYUJAXVOIBLIFX-HBNTYKKESA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000261543794 135184974 /nfs/dbraw/zinc/18/49/74/135184974.db2.gz UYUJAXVOIBLIFX-HBNTYKKESA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)[C@H](CN)C1 ZINC000261543799 135184734 /nfs/dbraw/zinc/18/47/34/135184734.db2.gz VBRASGRZPCYBER-BDAKNGLRSA-N 1 3 242.323 -0.369 20 0 BBADHO C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)[C@H](CN)C1 ZINC000261543799 135184733 /nfs/dbraw/zinc/18/47/33/135184733.db2.gz VBRASGRZPCYBER-BDAKNGLRSA-N 1 3 242.323 -0.369 20 0 BBADHO CNC(=O)NC(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000261544005 536320520 /nfs/dbraw/zinc/32/05/20/536320520.db2.gz DLJRJWVWRKLTIW-LLVKDONJSA-N 1 3 242.323 -0.497 20 0 BBADHO CNC(=O)NC(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000261544005 536320519 /nfs/dbraw/zinc/32/05/19/536320519.db2.gz DLJRJWVWRKLTIW-LLVKDONJSA-N 1 3 242.323 -0.497 20 0 BBADHO CNC(=O)NC(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000261544005 536320516 /nfs/dbraw/zinc/32/05/16/536320516.db2.gz DLJRJWVWRKLTIW-LLVKDONJSA-N 1 3 242.323 -0.497 20 0 BBADHO CNC(=O)NC(=O)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000261544008 536320194 /nfs/dbraw/zinc/32/01/94/536320194.db2.gz DLJRJWVWRKLTIW-NSHDSACASA-N 1 3 242.323 -0.497 20 0 BBADHO CNC(=O)NC(=O)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261544008 536320193 /nfs/dbraw/zinc/32/01/93/536320193.db2.gz DLJRJWVWRKLTIW-NSHDSACASA-N 1 3 242.323 -0.497 20 0 BBADHO CNC(=O)NC(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000261544008 536320192 /nfs/dbraw/zinc/32/01/92/536320192.db2.gz DLJRJWVWRKLTIW-NSHDSACASA-N 1 3 242.323 -0.497 20 0 BBADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](CN)OC ZINC000261544401 135185201 /nfs/dbraw/zinc/18/52/01/135185201.db2.gz XVEBDEHAMGIQLU-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](CN)OC ZINC000261544401 135185200 /nfs/dbraw/zinc/18/52/00/135185200.db2.gz XVEBDEHAMGIQLU-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](CN)OC ZINC000261544402 135185085 /nfs/dbraw/zinc/18/50/85/135185085.db2.gz XVEBDEHAMGIQLU-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](CN)OC ZINC000261544402 135185084 /nfs/dbraw/zinc/18/50/84/135185084.db2.gz XVEBDEHAMGIQLU-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N(C)C1CC1 ZINC000261544433 135185411 /nfs/dbraw/zinc/18/54/11/135185411.db2.gz YBJCXTVCVIYWKV-DVVUODLYSA-N 1 3 241.335 -0.692 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N(C)C1CC1 ZINC000261544434 135185404 /nfs/dbraw/zinc/18/54/04/135185404.db2.gz YBJCXTVCVIYWKV-MIMYLULJSA-N 1 3 241.335 -0.692 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCN2CCC[C@H]2C1 ZINC000261544780 135186206 /nfs/dbraw/zinc/18/62/06/135186206.db2.gz ZXBXJBUJKZIQSJ-QWRGUYRKSA-N 1 3 241.335 -0.343 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCN2CCC[C@H]2C1 ZINC000261544781 135186197 /nfs/dbraw/zinc/18/61/97/135186197.db2.gz ZXBXJBUJKZIQSJ-WDEREUQCSA-N 1 3 241.335 -0.343 20 0 BBADHO C[NH2+]CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261545052 135186440 /nfs/dbraw/zinc/18/64/40/135186440.db2.gz JNDRDAMGVQFXND-PSASIEDQSA-N 1 3 211.309 -0.195 20 0 BBADHO C[NH2+]CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000261545053 135186840 /nfs/dbraw/zinc/18/68/40/135186840.db2.gz JNDRDAMGVQFXND-SCZZXKLOSA-N 1 3 211.309 -0.195 20 0 BBADHO C[NH2+]CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261545054 135186883 /nfs/dbraw/zinc/18/68/83/135186883.db2.gz JNDRDAMGVQFXND-WCBMZHEXSA-N 1 3 211.309 -0.195 20 0 BBADHO C[NH2+]CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000261545055 135186488 /nfs/dbraw/zinc/18/64/88/135186488.db2.gz JNDRDAMGVQFXND-WPRPVWTQSA-N 1 3 211.309 -0.195 20 0 BBADHO CN(C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000261545780 135151346 /nfs/dbraw/zinc/15/13/46/135151346.db2.gz KKZVZMCYRRLNOO-UHFFFAOYSA-N 1 3 215.297 -0.957 20 0 BBADHO C[C@@]1(CN2CC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549486 135188045 /nfs/dbraw/zinc/18/80/45/135188045.db2.gz OQWQABXPJCEURJ-GXSJLCMTSA-N 1 3 211.309 -0.207 20 0 BBADHO C[C@]1(CN2CC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549487 135188726 /nfs/dbraw/zinc/18/87/26/135188726.db2.gz OQWQABXPJCEURJ-KOLCDFICSA-N 1 3 211.309 -0.207 20 0 BBADHO C[C@@]1(CN2CC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549488 135188595 /nfs/dbraw/zinc/18/85/95/135188595.db2.gz OQWQABXPJCEURJ-MWLCHTKSSA-N 1 3 211.309 -0.207 20 0 BBADHO C[C@]1(CN2CC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549489 135188496 /nfs/dbraw/zinc/18/84/96/135188496.db2.gz OQWQABXPJCEURJ-ONGXEEELSA-N 1 3 211.309 -0.207 20 0 BBADHO CN(C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000261553705 535888223 /nfs/dbraw/zinc/88/82/23/535888223.db2.gz SRGDJGIXRCYUJW-GXSJLCMTSA-N 1 3 211.309 -0.336 20 0 BBADHO CN(C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000261553707 535888190 /nfs/dbraw/zinc/88/81/90/535888190.db2.gz SRGDJGIXRCYUJW-KOLCDFICSA-N 1 3 211.309 -0.336 20 0 BBADHO CN(C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000261553708 535888075 /nfs/dbraw/zinc/88/80/75/535888075.db2.gz SRGDJGIXRCYUJW-MWLCHTKSSA-N 1 3 211.309 -0.336 20 0 BBADHO CN(C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000261553710 535888674 /nfs/dbraw/zinc/88/86/74/535888674.db2.gz SRGDJGIXRCYUJW-ONGXEEELSA-N 1 3 211.309 -0.336 20 0 BBADHO COCCNCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261555458 135195582 /nfs/dbraw/zinc/19/55/82/135195582.db2.gz UZWAOTOIZULFNO-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO COC1(C(=O)NC[C@H](C)N(C)C)CC[NH2+]CC1 ZINC000261555900 536532776 /nfs/dbraw/zinc/53/27/76/536532776.db2.gz QGUUIPGIBOFGJV-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO COC1(C(=O)NC[C@@H](C)N(C)C)CC[NH2+]CC1 ZINC000261556101 536531482 /nfs/dbraw/zinc/53/14/82/536531482.db2.gz QGUUIPGIBOFGJV-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO CN(C(=O)[C@H]1CC[NH2+]1)C1CCN(C)CC1 ZINC000261559016 135199754 /nfs/dbraw/zinc/19/97/54/135199754.db2.gz YUBNPKSHAYXQDB-SNVBAGLBSA-N 1 3 211.309 -0.099 20 0 BBADHO NC(C(=O)NC[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000261560859 135201999 /nfs/dbraw/zinc/20/19/99/135201999.db2.gz AFMIUMFHPGSEJI-NTSWFWBYSA-N 1 3 225.214 -0.256 20 0 BBADHO NC(C(=O)NC[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000261560860 135201724 /nfs/dbraw/zinc/20/17/24/135201724.db2.gz AFMIUMFHPGSEJI-PHDIDXHHSA-N 1 3 225.214 -0.256 20 0 BBADHO NC(C(=O)NC[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000261560861 135201758 /nfs/dbraw/zinc/20/17/58/135201758.db2.gz AFMIUMFHPGSEJI-RITPCOANSA-N 1 3 225.214 -0.256 20 0 BBADHO NC(C(=O)NC[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000261560862 135202089 /nfs/dbraw/zinc/20/20/89/135202089.db2.gz AFMIUMFHPGSEJI-WDSKDSINSA-N 1 3 225.214 -0.256 20 0 BBADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CN)OC)C1 ZINC000261566040 135208080 /nfs/dbraw/zinc/20/80/80/135208080.db2.gz DGIVEMOFAXQNFC-UWVGGRQHSA-N 1 3 229.324 -0.582 20 0 BBADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CN)OC)C1 ZINC000261566040 135208078 /nfs/dbraw/zinc/20/80/78/135208078.db2.gz DGIVEMOFAXQNFC-UWVGGRQHSA-N 1 3 229.324 -0.582 20 0 BBADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](CN)OC)C1 ZINC000261566042 135207363 /nfs/dbraw/zinc/20/73/63/135207363.db2.gz DGIVEMOFAXQNFC-ZJUUUORDSA-N 1 3 229.324 -0.582 20 0 BBADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CN)OC)C1 ZINC000261566042 135207362 /nfs/dbraw/zinc/20/73/62/135207362.db2.gz DGIVEMOFAXQNFC-ZJUUUORDSA-N 1 3 229.324 -0.582 20 0 BBADHO [NH3+]CCN1CCNC[C@@H]1c1cccnc1 ZINC000261567797 135209338 /nfs/dbraw/zinc/20/93/38/135209338.db2.gz FDFZMMWEYIONHE-LLVKDONJSA-N 1 3 206.293 -0.013 20 0 BBADHO [NH3+]CCN1CCNC[C@H]1c1cccnc1 ZINC000261567798 135209714 /nfs/dbraw/zinc/20/97/14/135209714.db2.gz FDFZMMWEYIONHE-NSHDSACASA-N 1 3 206.293 -0.013 20 0 BBADHO C[NH+](C)[C@@]1(CNC(=O)CN)CCSC1 ZINC000261568067 135210289 /nfs/dbraw/zinc/21/02/89/135210289.db2.gz FGKPTBUTVMFWRF-SECBINFHSA-N 1 3 217.338 -0.501 20 0 BBADHO C[NH+](C)[C@]1(CNC(=O)CN)CCSC1 ZINC000261568068 536141731 /nfs/dbraw/zinc/14/17/31/536141731.db2.gz FGKPTBUTVMFWRF-VIFPVBQESA-N 1 3 217.338 -0.501 20 0 BBADHO COCC[N@@H+](C)CCCNC(=O)CN ZINC000261573820 135216167 /nfs/dbraw/zinc/21/61/67/135216167.db2.gz IZQGDSLPQVNETG-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO COCC[N@H+](C)CCCNC(=O)CN ZINC000261573820 135216166 /nfs/dbraw/zinc/21/61/66/135216166.db2.gz IZQGDSLPQVNETG-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO CCN1CCC[C@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000261576082 135217255 /nfs/dbraw/zinc/21/72/55/135217255.db2.gz KDZWVYWVFRYUAE-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO CCN1CCC[C@@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000261576083 535535443 /nfs/dbraw/zinc/53/54/43/535535443.db2.gz KDZWVYWVFRYUAE-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO NC(C(=O)N[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000261576820 135218691 /nfs/dbraw/zinc/21/86/91/135218691.db2.gz KPCFYQVGKSZIIM-NTSWFWBYSA-N 1 3 225.214 -0.256 20 0 BBADHO NC(C(=O)N[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000261576821 135218282 /nfs/dbraw/zinc/21/82/82/135218282.db2.gz KPCFYQVGKSZIIM-PHDIDXHHSA-N 1 3 225.214 -0.256 20 0 BBADHO NC(C(=O)N[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000261576823 135218295 /nfs/dbraw/zinc/21/82/95/135218295.db2.gz KPCFYQVGKSZIIM-RITPCOANSA-N 1 3 225.214 -0.256 20 0 BBADHO NC(C(=O)N[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000261576825 135218561 /nfs/dbraw/zinc/21/85/61/135218561.db2.gz KPCFYQVGKSZIIM-WDSKDSINSA-N 1 3 225.214 -0.256 20 0 BBADHO CC(C)(N)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000261585963 135226762 /nfs/dbraw/zinc/22/67/62/135226762.db2.gz QSNZBYUVOWBMNO-LLVKDONJSA-N 1 3 211.309 -0.064 20 0 BBADHO CC(C)(N)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000261585963 135226761 /nfs/dbraw/zinc/22/67/61/135226761.db2.gz QSNZBYUVOWBMNO-LLVKDONJSA-N 1 3 211.309 -0.064 20 0 BBADHO CC(C)(N)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000261585964 135226837 /nfs/dbraw/zinc/22/68/37/135226837.db2.gz QSNZBYUVOWBMNO-NSHDSACASA-N 1 3 211.309 -0.064 20 0 BBADHO CC(C)(N)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000261585964 135226836 /nfs/dbraw/zinc/22/68/36/135226836.db2.gz QSNZBYUVOWBMNO-NSHDSACASA-N 1 3 211.309 -0.064 20 0 BBADHO Cn1ccnc1[C@H]1CNCCN1CC[NH3+] ZINC000261589919 135230053 /nfs/dbraw/zinc/23/00/53/135230053.db2.gz UDTVBGVIDALQQG-SECBINFHSA-N 1 3 209.297 -0.675 20 0 BBADHO Cn1ccnc1[C@@H]1CNCCN1CC[NH3+] ZINC000261589920 135229798 /nfs/dbraw/zinc/22/97/98/135229798.db2.gz UDTVBGVIDALQQG-VIFPVBQESA-N 1 3 209.297 -0.675 20 0 BBADHO COC1(C(=O)NCCN(C)C)CC[NH2+]CC1 ZINC000261593093 135233621 /nfs/dbraw/zinc/23/36/21/135233621.db2.gz WMDYGKVHLYZTDN-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO [NH3+]CCOCCN1CCSC[C@@H]1CCO ZINC000261598443 135236711 /nfs/dbraw/zinc/23/67/11/135236711.db2.gz ZNQQVLGRIKHROJ-JTQLQIEISA-N 1 3 234.365 -0.239 20 0 BBADHO [NH3+]CCOCCN1CCSC[C@H]1CCO ZINC000261598445 135237093 /nfs/dbraw/zinc/23/70/93/135237093.db2.gz ZNQQVLGRIKHROJ-SNVBAGLBSA-N 1 3 234.365 -0.239 20 0 BBADHO NC(C(=O)NCC1([NH3+])CCC1)C(F)(F)F ZINC000261598997 135237437 /nfs/dbraw/zinc/23/74/37/135237437.db2.gz ZRARUKLJHHRKGJ-RXMQYKEDSA-N 1 3 225.214 -0.126 20 0 BBADHO NC(C(=O)NCC1([NH3+])CCC1)C(F)(F)F ZINC000261598998 135237987 /nfs/dbraw/zinc/23/79/87/135237987.db2.gz ZRARUKLJHHRKGJ-YFKPBYRVSA-N 1 3 225.214 -0.126 20 0 BBADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000261599656 135237736 /nfs/dbraw/zinc/23/77/36/135237736.db2.gz ZWEQQKYFMOCWHV-JTQLQIEISA-N 1 3 228.296 -0.758 20 0 BBADHO C[C@@]1(CN)CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000261599656 135237734 /nfs/dbraw/zinc/23/77/34/135237734.db2.gz ZWEQQKYFMOCWHV-JTQLQIEISA-N 1 3 228.296 -0.758 20 0 BBADHO C[C@@]1(C[NH3+])CCN(CCC(=O)NC(N)=O)C1 ZINC000261599656 135237732 /nfs/dbraw/zinc/23/77/32/135237732.db2.gz ZWEQQKYFMOCWHV-JTQLQIEISA-N 1 3 228.296 -0.758 20 0 BBADHO C[C@]1(CN)CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000261599657 135238012 /nfs/dbraw/zinc/23/80/12/135238012.db2.gz ZWEQQKYFMOCWHV-SNVBAGLBSA-N 1 3 228.296 -0.758 20 0 BBADHO C[C@]1(CN)CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000261599657 135238011 /nfs/dbraw/zinc/23/80/11/135238011.db2.gz ZWEQQKYFMOCWHV-SNVBAGLBSA-N 1 3 228.296 -0.758 20 0 BBADHO C[C@]1(C[NH3+])CCN(CCC(=O)NC(N)=O)C1 ZINC000261599657 135238010 /nfs/dbraw/zinc/23/80/10/135238010.db2.gz ZWEQQKYFMOCWHV-SNVBAGLBSA-N 1 3 228.296 -0.758 20 0 BBADHO COCCN(C)CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261628947 536794760 /nfs/dbraw/zinc/79/47/60/536794760.db2.gz FETCCADZFNIFGW-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO COCCN(C)CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261628950 536790926 /nfs/dbraw/zinc/79/09/26/536790926.db2.gz FETCCADZFNIFGW-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261717619 135247275 /nfs/dbraw/zinc/24/72/75/135247275.db2.gz GQYMDEPVZRROHR-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261717620 135247317 /nfs/dbraw/zinc/24/73/17/135247317.db2.gz GQYMDEPVZRROHR-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261717621 135247539 /nfs/dbraw/zinc/24/75/39/135247539.db2.gz GQYMDEPVZRROHR-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261717622 135247832 /nfs/dbraw/zinc/24/78/32/135247832.db2.gz GQYMDEPVZRROHR-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1C ZINC000261735429 135249055 /nfs/dbraw/zinc/24/90/55/135249055.db2.gz KDVGTGNPIAGAEQ-DBIOUOCHSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000261735438 135248932 /nfs/dbraw/zinc/24/89/32/135248932.db2.gz KDVGTGNPIAGAEQ-MMWGEVLESA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000261735443 135249249 /nfs/dbraw/zinc/24/92/49/135249249.db2.gz KDVGTGNPIAGAEQ-YTWAJWBKSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261735446 135249043 /nfs/dbraw/zinc/24/90/43/135249043.db2.gz KDVGTGNPIAGAEQ-ZDCRXTMVSA-N 1 3 241.335 -0.299 20 0 BBADHO COCCN1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000261744060 135248957 /nfs/dbraw/zinc/24/89/57/135248957.db2.gz IOAZBJJCLYXMNS-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCCN1CC[C@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000261744061 135248995 /nfs/dbraw/zinc/24/89/95/135248995.db2.gz IOAZBJJCLYXMNS-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCCN1CC[C@@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000261744062 135249028 /nfs/dbraw/zinc/24/90/28/135249028.db2.gz IOAZBJJCLYXMNS-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO COCCN1CC[C@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000261744063 135249138 /nfs/dbraw/zinc/24/91/38/135249138.db2.gz IOAZBJJCLYXMNS-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO CC[N@@H+](C)CCNC(=O)[C@H](N)C1CCOCC1 ZINC000261745277 135248929 /nfs/dbraw/zinc/24/89/29/135248929.db2.gz KTKAXRQKVBUEJQ-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO CC[N@H+](C)CCNC(=O)[C@H](N)C1CCOCC1 ZINC000261745277 135248928 /nfs/dbraw/zinc/24/89/28/135248928.db2.gz KTKAXRQKVBUEJQ-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO CC[N@@H+](C)CCNC(=O)[C@@H](N)C1CCOCC1 ZINC000261745279 135249107 /nfs/dbraw/zinc/24/91/07/135249107.db2.gz KTKAXRQKVBUEJQ-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO CC[N@H+](C)CCNC(=O)[C@@H](N)C1CCOCC1 ZINC000261745279 135249105 /nfs/dbraw/zinc/24/91/05/135249105.db2.gz KTKAXRQKVBUEJQ-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H](C)N1 ZINC000261762064 135250415 /nfs/dbraw/zinc/25/04/15/135250415.db2.gz LUOJTUUYVFSCKS-DBIOUOCHSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)N1 ZINC000261762066 135250471 /nfs/dbraw/zinc/25/04/71/135250471.db2.gz LUOJTUUYVFSCKS-MMWGEVLESA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)N1 ZINC000261762067 135250694 /nfs/dbraw/zinc/25/06/94/135250694.db2.gz LUOJTUUYVFSCKS-YTWAJWBKSA-N 1 3 241.335 -0.299 20 0 BBADHO COCCNCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261791420 135253605 /nfs/dbraw/zinc/25/36/05/135253605.db2.gz LYVUKAIKZGQNSH-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO NCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261810731 135254438 /nfs/dbraw/zinc/25/44/38/135254438.db2.gz WTLWZQLEDMJUMD-UHFFFAOYSA-N 1 3 221.304 -0.025 20 0 BBADHO C[C@H](O)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000261819460 135255031 /nfs/dbraw/zinc/25/50/31/135255031.db2.gz IHIIAMZHJOWRLU-LBPRGKRZSA-N 1 3 241.379 -0.016 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261838084 135256904 /nfs/dbraw/zinc/25/69/04/135256904.db2.gz QKHPIUOLICOCDG-AXFHLTTASA-N 1 3 241.335 -0.297 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261838086 536373990 /nfs/dbraw/zinc/37/39/90/536373990.db2.gz QKHPIUOLICOCDG-MXWKQRLJSA-N 1 3 241.335 -0.297 20 0 BBADHO COCCN1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000261881298 135259693 /nfs/dbraw/zinc/25/96/93/135259693.db2.gz RUSVVYBYNGNPHF-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261881299 135259950 /nfs/dbraw/zinc/25/99/50/135259950.db2.gz RUSVVYBYNGNPHF-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO NS(=O)(=O)[C@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000261997115 135270231 /nfs/dbraw/zinc/27/02/31/135270231.db2.gz SZFJFUIHQHUCPR-JTQLQIEISA-N 1 3 247.364 -0.651 20 0 BBADHO NS(=O)(=O)[C@@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000261997117 135270361 /nfs/dbraw/zinc/27/03/61/135270361.db2.gz SZFJFUIHQHUCPR-SNVBAGLBSA-N 1 3 247.364 -0.651 20 0 BBADHO CC(C)[C@@H](C(=O)NCC1C[NH2+]C1)N(C)C ZINC000262001269 135271096 /nfs/dbraw/zinc/27/10/96/135271096.db2.gz HCKBJVMUQNPAGE-JTQLQIEISA-N 1 3 213.325 -0.092 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](C)CN1 ZINC000262035057 135275170 /nfs/dbraw/zinc/27/51/70/135275170.db2.gz PRPAZQYSUDNWLY-DBIOUOCHSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](C)CN1 ZINC000262035067 135274615 /nfs/dbraw/zinc/27/46/15/135274615.db2.gz PRPAZQYSUDNWLY-MMWGEVLESA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](C)CN1 ZINC000262035075 135275069 /nfs/dbraw/zinc/27/50/69/135275069.db2.gz PRPAZQYSUDNWLY-YTWAJWBKSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262035087 135275033 /nfs/dbraw/zinc/27/50/33/135275033.db2.gz PRPAZQYSUDNWLY-ZDCRXTMVSA-N 1 3 241.335 -0.299 20 0 BBADHO COCC[N@@H+](C)CCCNC(=O)C1(N)CC1 ZINC000262112055 135279915 /nfs/dbraw/zinc/27/99/15/135279915.db2.gz HJBGYWWOWIVLTR-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO COCC[N@H+](C)CCCNC(=O)C1(N)CC1 ZINC000262112055 135279913 /nfs/dbraw/zinc/27/99/13/135279913.db2.gz HJBGYWWOWIVLTR-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](F)CN1 ZINC000262123513 135280310 /nfs/dbraw/zinc/28/03/10/135280310.db2.gz MNQNQSHKJXBTET-BZNPZCIMSA-N 1 3 215.272 -0.366 20 0 BBADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](F)CN1 ZINC000262123518 135280408 /nfs/dbraw/zinc/28/04/08/135280408.db2.gz MNQNQSHKJXBTET-RBXMUDONSA-N 1 3 215.272 -0.366 20 0 BBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](F)CN1 ZINC000262123521 135280221 /nfs/dbraw/zinc/28/02/21/135280221.db2.gz MNQNQSHKJXBTET-RYPBNFRJSA-N 1 3 215.272 -0.366 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](F)CN1 ZINC000262123526 135280201 /nfs/dbraw/zinc/28/02/01/135280201.db2.gz MNQNQSHKJXBTET-XSPKLOCKSA-N 1 3 215.272 -0.366 20 0 BBADHO C[NH+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000262124734 535887637 /nfs/dbraw/zinc/88/76/37/535887637.db2.gz MSVWOOFSKCFNBV-JGVFFNPUSA-N 1 3 203.261 -0.636 20 0 BBADHO NC(=O)[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000262148141 135282046 /nfs/dbraw/zinc/28/20/46/135282046.db2.gz FRJAAJACFHJEPC-JTQLQIEISA-N 1 3 227.308 -0.828 20 0 BBADHO NC(=O)[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000262148145 135282470 /nfs/dbraw/zinc/28/24/70/135282470.db2.gz FRJAAJACFHJEPC-SNVBAGLBSA-N 1 3 227.308 -0.828 20 0 BBADHO CNC(=O)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262280160 536317198 /nfs/dbraw/zinc/31/71/98/536317198.db2.gz ULSKUHPDBKLDEF-UHFFFAOYSA-N 1 3 240.351 -0.057 20 0 BBADHO COCCN1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000262336353 135294069 /nfs/dbraw/zinc/29/40/69/135294069.db2.gz HIQILOUBZXWJHP-JTQLQIEISA-N 1 3 243.351 -0.192 20 0 BBADHO COCCN1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000262336356 135293850 /nfs/dbraw/zinc/29/38/50/135293850.db2.gz HIQILOUBZXWJHP-SNVBAGLBSA-N 1 3 243.351 -0.192 20 0 BBADHO C[NH2+]CCC(=O)Nc1ccn(CCN(C)C)n1 ZINC000262378350 135297807 /nfs/dbraw/zinc/29/78/07/135297807.db2.gz MRPLZXSBBLKHBW-UHFFFAOYSA-N 1 3 239.323 -0.007 20 0 BBADHO C[C@H](C[NH3+])C(=O)Nc1ccn(CCN(C)C)n1 ZINC000262392644 135298380 /nfs/dbraw/zinc/29/83/80/135298380.db2.gz OKLYZJBZKYCFQZ-SECBINFHSA-N 1 3 239.323 -0.022 20 0 BBADHO C[C@@H](C[NH3+])C(=O)Nc1ccn(CCN(C)C)n1 ZINC000262392648 135298978 /nfs/dbraw/zinc/29/89/78/135298978.db2.gz OKLYZJBZKYCFQZ-VIFPVBQESA-N 1 3 239.323 -0.022 20 0 BBADHO C[NH2+]CCC(=O)NC[C@H]1CCCN1CCOC ZINC000262421186 135296311 /nfs/dbraw/zinc/29/63/11/135296311.db2.gz RTLQEJPSNYQHMP-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH2+]CCC(=O)NC[C@@H]1CCCN1CCOC ZINC000262421187 135295876 /nfs/dbraw/zinc/29/58/76/135295876.db2.gz RTLQEJPSNYQHMP-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262431823 135297152 /nfs/dbraw/zinc/29/71/52/135297152.db2.gz TVIDIAUBDKFHTA-GHMZBOCLSA-N 1 3 243.351 -0.192 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262431826 135297224 /nfs/dbraw/zinc/29/72/24/135297224.db2.gz TVIDIAUBDKFHTA-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000262431828 135296756 /nfs/dbraw/zinc/29/67/56/135296756.db2.gz TVIDIAUBDKFHTA-QWRGUYRKSA-N 1 3 243.351 -0.192 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000262431830 135297095 /nfs/dbraw/zinc/29/70/95/135297095.db2.gz TVIDIAUBDKFHTA-WDEREUQCSA-N 1 3 243.351 -0.192 20 0 BBADHO C[NH2+]CCC(=O)NC1CCN(CCOC)CC1 ZINC000262452996 135300444 /nfs/dbraw/zinc/30/04/44/135300444.db2.gz WDVJSTGARZYLKQ-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO COCCN(C)CCCNC(=O)CCC[NH3+] ZINC000262654075 135310855 /nfs/dbraw/zinc/31/08/55/135310855.db2.gz MCHVFHDNPUCQKK-UHFFFAOYSA-N 1 3 231.340 -0.190 20 0 BBADHO COCCN(C)CCCNC(=O)CC[NH3+] ZINC000262659743 135311781 /nfs/dbraw/zinc/31/17/81/135311781.db2.gz NJBLPVHBJSFRGJ-UHFFFAOYSA-N 1 3 217.313 -0.580 20 0 BBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN)C1 ZINC000262661975 135311840 /nfs/dbraw/zinc/31/18/40/135311840.db2.gz GPZUABLHWRLHCR-LLVKDONJSA-N 1 3 243.351 -0.096 20 0 BBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CN)C1 ZINC000262661977 135311733 /nfs/dbraw/zinc/31/17/33/135311733.db2.gz GPZUABLHWRLHCR-NSHDSACASA-N 1 3 243.351 -0.096 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)NCCCN(C)CCOC ZINC000262671535 136374721 /nfs/dbraw/zinc/37/47/21/136374721.db2.gz RVLJVUIEGNABFP-LLVKDONJSA-N 1 3 245.367 -0.074 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)NCCCN(C)CCOC ZINC000262671536 136374678 /nfs/dbraw/zinc/37/46/78/136374678.db2.gz RVLJVUIEGNABFP-NSHDSACASA-N 1 3 245.367 -0.074 20 0 BBADHO COCC[N@@H+](C)CCCNC(=O)C(C)(C)N ZINC000262673256 136374754 /nfs/dbraw/zinc/37/47/54/136374754.db2.gz SRBMMXOJLVOLRD-UHFFFAOYSA-N 1 3 231.340 -0.192 20 0 BBADHO COCC[N@H+](C)CCCNC(=O)C(C)(C)N ZINC000262673256 136374753 /nfs/dbraw/zinc/37/47/53/136374753.db2.gz SRBMMXOJLVOLRD-UHFFFAOYSA-N 1 3 231.340 -0.192 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000262682893 135313183 /nfs/dbraw/zinc/31/31/83/135313183.db2.gz YULBFCOFOTZCFS-GHMZBOCLSA-N 1 3 241.335 -0.567 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000262682895 536877411 /nfs/dbraw/zinc/87/74/11/536877411.db2.gz YULBFCOFOTZCFS-MNOVXSKESA-N 1 3 241.335 -0.567 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262682896 536876371 /nfs/dbraw/zinc/87/63/71/536876371.db2.gz YULBFCOFOTZCFS-QWRGUYRKSA-N 1 3 241.335 -0.567 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262682899 135312922 /nfs/dbraw/zinc/31/29/22/135312922.db2.gz YULBFCOFOTZCFS-WDEREUQCSA-N 1 3 241.335 -0.567 20 0 BBADHO COCC[NH2+]CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000262796190 135319334 /nfs/dbraw/zinc/31/93/34/135319334.db2.gz NMMYWCUMKKEFJJ-NXEZZACHSA-N 1 3 229.324 -0.569 20 0 BBADHO COCC[NH2+]CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262796192 135319125 /nfs/dbraw/zinc/31/91/25/135319125.db2.gz NMMYWCUMKKEFJJ-UWVGGRQHSA-N 1 3 229.324 -0.569 20 0 BBADHO COCC[NH2+]CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262796193 135319150 /nfs/dbraw/zinc/31/91/50/135319150.db2.gz NMMYWCUMKKEFJJ-VHSXEESVSA-N 1 3 229.324 -0.569 20 0 BBADHO COCC[NH2+]CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262796195 135318868 /nfs/dbraw/zinc/31/88/68/135318868.db2.gz NMMYWCUMKKEFJJ-ZJUUUORDSA-N 1 3 229.324 -0.569 20 0 BBADHO CCN(CC)CC(=O)N1CCN(CC[NH3+])CC1 ZINC000263012110 535489572 /nfs/dbraw/zinc/48/95/72/535489572.db2.gz PUCZIVNUOIFDEV-UHFFFAOYSA-N 1 3 242.367 -0.569 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)[C@@H]2C1 ZINC000263338657 135348588 /nfs/dbraw/zinc/34/85/88/135348588.db2.gz WYTKXDZLMBLGCT-GXSJLCMTSA-N 1 3 223.320 -0.242 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)[C@H]2C1 ZINC000263338667 135347929 /nfs/dbraw/zinc/34/79/29/135347929.db2.gz WYTKXDZLMBLGCT-KOLCDFICSA-N 1 3 223.320 -0.242 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)[C@@H]2C1 ZINC000263338677 135348464 /nfs/dbraw/zinc/34/84/64/135348464.db2.gz WYTKXDZLMBLGCT-MWLCHTKSSA-N 1 3 223.320 -0.242 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)[C@H]2C1 ZINC000263338688 135348419 /nfs/dbraw/zinc/34/84/19/135348419.db2.gz WYTKXDZLMBLGCT-ONGXEEELSA-N 1 3 223.320 -0.242 20 0 BBADHO COCCN(C)CCNC(=O)/C=C/C[NH+](C)C ZINC000265683454 174276271 /nfs/dbraw/zinc/27/62/71/174276271.db2.gz WMQNXWXEGIXZSB-AATRIKPKSA-N 1 3 243.351 -0.201 20 0 BBADHO CN(C)C/C=C/C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269871152 172399229 /nfs/dbraw/zinc/39/92/29/172399229.db2.gz GCQSMGIBWXPZFD-NNNHXZLVSA-N 1 3 243.351 -0.467 20 0 BBADHO CN(C)C/C=C/C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269871154 172399386 /nfs/dbraw/zinc/39/93/86/172399386.db2.gz GCQSMGIBWXPZFD-SYTKJHMZSA-N 1 3 243.351 -0.467 20 0 BBADHO CCN(CCO)CCNC(=O)/C=C/C[NH+](C)C ZINC000274569978 386120978 /nfs/dbraw/zinc/12/09/78/386120978.db2.gz QTXVWNPWYVCKKE-AATRIKPKSA-N 1 3 243.351 -0.465 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000300027715 385126193 /nfs/dbraw/zinc/12/61/93/385126193.db2.gz HPQJHSFBBHJNIS-MXWKQRLJSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000300027716 385125237 /nfs/dbraw/zinc/12/52/37/385125237.db2.gz HPQJHSFBBHJNIS-VWYCJHECSA-N 1 3 243.351 -0.051 20 0 BBADHO CCN1CCC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000300031134 344521265 /nfs/dbraw/zinc/52/12/65/344521265.db2.gz PCEUVYFJYXUUGX-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CCN1CCC[C@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000300031135 344521624 /nfs/dbraw/zinc/52/16/24/344521624.db2.gz PCEUVYFJYXUUGX-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO [NH3+]CCOCCN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000300037893 487499111 /nfs/dbraw/zinc/49/91/11/487499111.db2.gz FPIKCEURZSUDMW-QWRGUYRKSA-N 1 3 241.335 -0.438 20 0 BBADHO [NH3+]CCOCCN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000300037895 487498958 /nfs/dbraw/zinc/49/89/58/487498958.db2.gz FPIKCEURZSUDMW-WDEREUQCSA-N 1 3 241.335 -0.438 20 0 BBADHO CNC(=O)[C@@H](C)CN(C)C[C@H]1CC[NH2+]C1 ZINC000300214506 490108710 /nfs/dbraw/zinc/10/87/10/490108710.db2.gz JZYDROFJKLNWEX-UWVGGRQHSA-N 1 3 213.325 -0.090 20 0 BBADHO CNC(=O)[C@H](C)CN(C)C[C@H]1CC[NH2+]C1 ZINC000300214507 490108727 /nfs/dbraw/zinc/10/87/27/490108727.db2.gz JZYDROFJKLNWEX-ZJUUUORDSA-N 1 3 213.325 -0.090 20 0 BBADHO C[C@@H](O)CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300215359 582497409 /nfs/dbraw/zinc/49/74/09/582497409.db2.gz BEDARNKDPNEIDI-OUAUKWLOSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300215359 582497408 /nfs/dbraw/zinc/49/74/08/582497408.db2.gz BEDARNKDPNEIDI-OUAUKWLOSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H](O)CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300215360 582497394 /nfs/dbraw/zinc/49/73/94/582497394.db2.gz BEDARNKDPNEIDI-VWYCJHECSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H](O)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300215360 582497391 /nfs/dbraw/zinc/49/73/91/582497391.db2.gz BEDARNKDPNEIDI-VWYCJHECSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@]1(C(N)=O)CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000300352870 487509628 /nfs/dbraw/zinc/50/96/28/487509628.db2.gz QPNJYMQIRLFFGN-GXSJLCMTSA-N 1 3 211.309 -0.207 20 0 BBADHO C[C@]1(C(N)=O)CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000300352871 487509557 /nfs/dbraw/zinc/50/95/57/487509557.db2.gz QPNJYMQIRLFFGN-ONGXEEELSA-N 1 3 211.309 -0.207 20 0 BBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](CN)OC ZINC000300374906 171306813 /nfs/dbraw/zinc/30/68/13/171306813.db2.gz CMBAVNFUZYUTPU-UWVGGRQHSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](CN)OC ZINC000300374906 171306811 /nfs/dbraw/zinc/30/68/11/171306811.db2.gz CMBAVNFUZYUTPU-UWVGGRQHSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](CN)OC ZINC000300374907 384714448 /nfs/dbraw/zinc/71/44/48/384714448.db2.gz CMBAVNFUZYUTPU-ZJUUUORDSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](CN)OC ZINC000300374907 384714445 /nfs/dbraw/zinc/71/44/45/384714445.db2.gz CMBAVNFUZYUTPU-ZJUUUORDSA-N 1 3 231.340 -0.193 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NC[C@]2(O)CCOC2)C1 ZINC000300375147 487511639 /nfs/dbraw/zinc/51/16/39/487511639.db2.gz CQIYXPRZNDYSSV-GMTAPVOTSA-N 1 3 214.309 -0.003 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NC[C@]2(O)CCOC2)C1 ZINC000300375149 487511992 /nfs/dbraw/zinc/51/19/92/487511992.db2.gz CQIYXPRZNDYSSV-OUAUKWLOSA-N 1 3 214.309 -0.003 20 0 BBADHO COC[C@@H](CN1CC[C@H](C[NH3+])C1)OC ZINC000300385348 487511819 /nfs/dbraw/zinc/51/18/19/487511819.db2.gz YIJSJNSUTSHWLB-NXEZZACHSA-N 1 3 202.298 -0.072 20 0 BBADHO COC[C@H](CN1CC[C@H](C[NH3+])C1)OC ZINC000300385349 487512013 /nfs/dbraw/zinc/51/20/13/487512013.db2.gz YIJSJNSUTSHWLB-ZJUUUORDSA-N 1 3 202.298 -0.072 20 0 BBADHO COC[C@H](CO)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300394212 346612849 /nfs/dbraw/zinc/61/28/49/346612849.db2.gz LQMSPXMLPKPJNB-AEJSXWLSSA-N 1 3 202.298 -0.147 20 0 BBADHO COC[C@H](CO)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000300394213 346612863 /nfs/dbraw/zinc/61/28/63/346612863.db2.gz LQMSPXMLPKPJNB-GUBZILKMSA-N 1 3 202.298 -0.147 20 0 BBADHO COC[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)OC ZINC000300586059 487492211 /nfs/dbraw/zinc/49/22/11/487492211.db2.gz YFFQXKCPTFUCDU-NEPJUHHUSA-N 1 3 246.351 -0.306 20 0 BBADHO COC[C@H](C[NH2+]C[C@H](O)CN1CCCC1)OC ZINC000300586060 487492531 /nfs/dbraw/zinc/49/25/31/487492531.db2.gz YFFQXKCPTFUCDU-RYUDHWBXSA-N 1 3 246.351 -0.306 20 0 BBADHO CN(CCOCC[NH3+])CCc1ccnn1C ZINC000301047204 386642998 /nfs/dbraw/zinc/64/29/98/386642998.db2.gz PHTTTXVBHLTLIA-UHFFFAOYSA-N 1 3 226.324 -0.130 20 0 BBADHO CN(C)C(=O)CCN(C)CCOCC[NH3+] ZINC000301048191 490574094 /nfs/dbraw/zinc/57/40/94/490574094.db2.gz QHHYHSZDZYREDA-UHFFFAOYSA-N 1 3 217.313 -0.628 20 0 BBADHO CN(CCOCC[NH3+])CCN1CCOCC1 ZINC000301050980 352586596 /nfs/dbraw/zinc/58/65/96/352586596.db2.gz SZPXSDXTTFKQGU-UHFFFAOYSA-N 1 3 231.340 -0.774 20 0 BBADHO CN(CCOCC[NH3+])CCc1cnn(C)c1 ZINC000301051004 383880343 /nfs/dbraw/zinc/88/03/43/383880343.db2.gz TUQVQSSOXCQRTI-UHFFFAOYSA-N 1 3 226.324 -0.130 20 0 BBADHO CN(CCO)CC[N@@H+](C)C1CCN(C)CC1 ZINC000304775029 387510850 /nfs/dbraw/zinc/51/08/50/387510850.db2.gz GOKFVIIXKFEYRA-UHFFFAOYSA-N 1 3 229.368 -0.064 20 0 BBADHO CN(CCO)CC[N@H+](C)C1CCN(C)CC1 ZINC000304775029 387510847 /nfs/dbraw/zinc/51/08/47/387510847.db2.gz GOKFVIIXKFEYRA-UHFFFAOYSA-N 1 3 229.368 -0.064 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1CC[NH2+]1 ZINC000306154067 487953238 /nfs/dbraw/zinc/95/32/38/487953238.db2.gz BJCYNDHWDOLRNZ-BIIVOSGPSA-N 1 3 201.245 -0.836 20 0 BBADHO CC(C)(N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000306433862 384948917 /nfs/dbraw/zinc/94/89/17/384948917.db2.gz YEAAREIEXQYGPN-BQBZGAKWSA-N 1 3 203.261 -0.460 20 0 BBADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2COC[C@H]2O)C1 ZINC000306497916 353019724 /nfs/dbraw/zinc/01/97/24/353019724.db2.gz CKYDXWLASQJTMN-AXTSPUMRSA-N 1 3 200.282 -0.394 20 0 BBADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2COC[C@H]2O)C1 ZINC000306497917 353019976 /nfs/dbraw/zinc/01/99/76/353019976.db2.gz CKYDXWLASQJTMN-SGIHWFKDSA-N 1 3 200.282 -0.394 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2COC[C@H]2O)C1 ZINC000306497918 344216750 /nfs/dbraw/zinc/21/67/50/344216750.db2.gz CKYDXWLASQJTMN-UTINFBMNSA-N 1 3 200.282 -0.394 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2COC[C@H]2O)C1 ZINC000306497919 344216755 /nfs/dbraw/zinc/21/67/55/344216755.db2.gz CKYDXWLASQJTMN-ZYUZMQFOSA-N 1 3 200.282 -0.394 20 0 BBADHO CC(C)([NH3+])CNC(=O)[C@@]1(F)CCNC1 ZINC000306515090 535207171 /nfs/dbraw/zinc/20/71/71/535207171.db2.gz CGKVTCVQEXDNKM-SECBINFHSA-N 1 3 203.261 -0.459 20 0 BBADHO CC(C)([NH3+])CNC(=O)[C@]1(F)CCNC1 ZINC000306515091 187317870 /nfs/dbraw/zinc/31/78/70/187317870.db2.gz CGKVTCVQEXDNKM-VIFPVBQESA-N 1 3 203.261 -0.459 20 0 BBADHO [NH3+]CCNC(=O)[C@@H]1CNCCC1(F)F ZINC000306554332 360428860 /nfs/dbraw/zinc/42/88/60/360428860.db2.gz BNCACIASIWIULZ-LURJTMIESA-N 1 3 207.224 -0.694 20 0 BBADHO [NH3+]CCNC(=O)[C@H]1CNCCC1(F)F ZINC000306554333 360428871 /nfs/dbraw/zinc/42/88/71/360428871.db2.gz BNCACIASIWIULZ-ZCFIWIBFSA-N 1 3 207.224 -0.694 20 0 BBADHO [NH3+][C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000306685109 387704077 /nfs/dbraw/zinc/70/40/77/387704077.db2.gz IPWMWTWKYQAGGZ-APPZFPTMSA-N 1 3 201.245 -0.752 20 0 BBADHO [NH3+][C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000306685111 387705899 /nfs/dbraw/zinc/70/58/99/387705899.db2.gz IPWMWTWKYQAGGZ-CBAPKCEASA-N 1 3 201.245 -0.752 20 0 BBADHO [NH3+][C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000306685112 387705088 /nfs/dbraw/zinc/70/50/88/387705088.db2.gz IPWMWTWKYQAGGZ-IONNQARKSA-N 1 3 201.245 -0.752 20 0 BBADHO [NH3+][C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000306685114 387704897 /nfs/dbraw/zinc/70/48/97/387704897.db2.gz IPWMWTWKYQAGGZ-VXNVDRBHSA-N 1 3 201.245 -0.752 20 0 BBADHO CC(C)(C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000306697248 385159069 /nfs/dbraw/zinc/15/90/69/385159069.db2.gz YYYDQORAESADBX-SECBINFHSA-N 1 3 203.261 -0.459 20 0 BBADHO CC(C)(C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000306697249 188331206 /nfs/dbraw/zinc/33/12/06/188331206.db2.gz YYYDQORAESADBX-VIFPVBQESA-N 1 3 203.261 -0.459 20 0 BBADHO C[N@H+]1CC[C@@](O)(CN[C@@H]2CCOC2)C1 ZINC000307038189 173137573 /nfs/dbraw/zinc/13/75/73/173137573.db2.gz FNPDYKXEJZYCOE-NXEZZACHSA-N 1 3 200.282 -0.569 20 0 BBADHO C[N@@H+]1CC[C@@](O)(CN[C@@H]2CCOC2)C1 ZINC000307038189 173137570 /nfs/dbraw/zinc/13/75/70/173137570.db2.gz FNPDYKXEJZYCOE-NXEZZACHSA-N 1 3 200.282 -0.569 20 0 BBADHO C[N@H+]1CC[C@](O)(CN[C@H]2CCOC2)C1 ZINC000307038190 173165558 /nfs/dbraw/zinc/16/55/58/173165558.db2.gz FNPDYKXEJZYCOE-UWVGGRQHSA-N 1 3 200.282 -0.569 20 0 BBADHO C[N@@H+]1CC[C@](O)(CN[C@H]2CCOC2)C1 ZINC000307038190 173165554 /nfs/dbraw/zinc/16/55/54/173165554.db2.gz FNPDYKXEJZYCOE-UWVGGRQHSA-N 1 3 200.282 -0.569 20 0 BBADHO C[N@H+]1CC[C@@](O)(CN[C@H]2CCOC2)C1 ZINC000307038191 173137278 /nfs/dbraw/zinc/13/72/78/173137278.db2.gz FNPDYKXEJZYCOE-VHSXEESVSA-N 1 3 200.282 -0.569 20 0 BBADHO C[N@@H+]1CC[C@@](O)(CN[C@H]2CCOC2)C1 ZINC000307038191 173137275 /nfs/dbraw/zinc/13/72/75/173137275.db2.gz FNPDYKXEJZYCOE-VHSXEESVSA-N 1 3 200.282 -0.569 20 0 BBADHO C[N@H+]1CC[C@](O)(CN[C@@H]2CCOC2)C1 ZINC000307038192 173165346 /nfs/dbraw/zinc/16/53/46/173165346.db2.gz FNPDYKXEJZYCOE-ZJUUUORDSA-N 1 3 200.282 -0.569 20 0 BBADHO C[N@@H+]1CC[C@](O)(CN[C@@H]2CCOC2)C1 ZINC000307038192 173165341 /nfs/dbraw/zinc/16/53/41/173165341.db2.gz FNPDYKXEJZYCOE-ZJUUUORDSA-N 1 3 200.282 -0.569 20 0 BBADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1OCCO1 ZINC000307133974 635983362 /nfs/dbraw/zinc/98/33/62/635983362.db2.gz NGXCLPMEUHQMOI-AOOOYVTPSA-N 1 3 212.293 -0.099 20 0 BBADHO C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1OCCO1 ZINC000307133975 635982815 /nfs/dbraw/zinc/98/28/15/635982815.db2.gz NGXCLPMEUHQMOI-NXEZZACHSA-N 1 3 212.293 -0.099 20 0 BBADHO C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1OCCO1 ZINC000307133976 635982320 /nfs/dbraw/zinc/98/23/20/635982320.db2.gz NGXCLPMEUHQMOI-UWVGGRQHSA-N 1 3 212.293 -0.099 20 0 BBADHO NC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000307298520 411470552 /nfs/dbraw/zinc/47/05/52/411470552.db2.gz QYQLVDFVFMMWMM-BQBZGAKWSA-N 1 3 201.245 -0.706 20 0 BBADHO NC(C(=O)N1CC[C@H]([NH3+])C1)C(F)(F)F ZINC000307583617 135392297 /nfs/dbraw/zinc/39/22/97/135392297.db2.gz ZEQWWTGRFTWAOY-CRCLSJGQSA-N 1 3 211.187 -0.564 20 0 BBADHO NC(C(=O)N1CC[C@@H]([NH3+])C1)C(F)(F)F ZINC000307583618 385706802 /nfs/dbraw/zinc/70/68/02/385706802.db2.gz ZEQWWTGRFTWAOY-RFZPGFLSSA-N 1 3 211.187 -0.564 20 0 BBADHO NC(C(=O)N1CC[C@@H]([NH3+])C1)C(F)(F)F ZINC000307583619 386736048 /nfs/dbraw/zinc/73/60/48/386736048.db2.gz ZEQWWTGRFTWAOY-UHNVWZDZSA-N 1 3 211.187 -0.564 20 0 BBADHO NC(C(=O)N1CC[C@H]([NH3+])C1)C(F)(F)F ZINC000307583620 386734919 /nfs/dbraw/zinc/73/49/19/386734919.db2.gz ZEQWWTGRFTWAOY-WHFBIAKZSA-N 1 3 211.187 -0.564 20 0 BBADHO NC(C(=O)N[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000307743764 385825606 /nfs/dbraw/zinc/82/56/06/385825606.db2.gz MWGBYPJBFVXDBM-CRCLSJGQSA-N 1 3 211.187 -0.646 20 0 BBADHO NC(C(=O)N[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000307743765 385824819 /nfs/dbraw/zinc/82/48/19/385824819.db2.gz MWGBYPJBFVXDBM-RFZPGFLSSA-N 1 3 211.187 -0.646 20 0 BBADHO NC(C(=O)N[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000307743766 385825430 /nfs/dbraw/zinc/82/54/30/385825430.db2.gz MWGBYPJBFVXDBM-UHNVWZDZSA-N 1 3 211.187 -0.646 20 0 BBADHO NC(C(=O)N[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000307743767 385824996 /nfs/dbraw/zinc/82/49/96/385824996.db2.gz MWGBYPJBFVXDBM-WHFBIAKZSA-N 1 3 211.187 -0.646 20 0 BBADHO CC(C(=O)N[C@@H]1CC[NH2+]C1(C)C)S(C)(=O)=O ZINC000307899341 346105887 /nfs/dbraw/zinc/10/58/87/346105887.db2.gz QHFIHBRHVZTIMP-HTQZYQBOSA-N 1 3 248.348 -0.324 20 0 BBADHO CC(C(=O)N[C@@H]1CC[NH2+]C1(C)C)S(C)(=O)=O ZINC000307899342 346105948 /nfs/dbraw/zinc/10/59/48/346105948.db2.gz QHFIHBRHVZTIMP-JGVFFNPUSA-N 1 3 248.348 -0.324 20 0 BBADHO CC(C(=O)N[C@H]1CC[NH2+]C1(C)C)S(C)(=O)=O ZINC000307899343 346105982 /nfs/dbraw/zinc/10/59/82/346105982.db2.gz QHFIHBRHVZTIMP-SFYZADRCSA-N 1 3 248.348 -0.324 20 0 BBADHO CC(C(=O)N[C@H]1CC[NH2+]C1(C)C)S(C)(=O)=O ZINC000307899344 346106039 /nfs/dbraw/zinc/10/60/39/346106039.db2.gz QHFIHBRHVZTIMP-YUMQZZPRSA-N 1 3 248.348 -0.324 20 0 BBADHO CC(=O)NCCN(C)CCOCC[NH3+] ZINC000308204787 259339024 /nfs/dbraw/zinc/33/90/24/259339024.db2.gz XVEACFVQFJNLMX-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO COC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000308276268 631238644 /nfs/dbraw/zinc/23/86/44/631238644.db2.gz VEKBIBJBXDIQQV-JTQLQIEISA-N 1 3 245.323 -0.611 20 0 BBADHO COC(=O)NCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000308276270 631215775 /nfs/dbraw/zinc/21/57/75/631215775.db2.gz VEKBIBJBXDIQQV-SNVBAGLBSA-N 1 3 245.323 -0.611 20 0 BBADHO C[NH+](C)CCNC(=O)[C@@H](N)CC(F)F ZINC000308519840 398160439 /nfs/dbraw/zinc/16/04/39/398160439.db2.gz XDUPAPFKHCMHBC-LURJTMIESA-N 1 3 209.240 -0.353 20 0 BBADHO C[NH+](C)CCNC(=O)[C@H](N)CC(F)F ZINC000308519841 398160083 /nfs/dbraw/zinc/16/00/83/398160083.db2.gz XDUPAPFKHCMHBC-ZCFIWIBFSA-N 1 3 209.240 -0.353 20 0 BBADHO NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000308705199 181231252 /nfs/dbraw/zinc/23/12/52/181231252.db2.gz GBCBHYGJABZYKG-UWVGGRQHSA-N 1 3 211.309 -0.207 20 0 BBADHO NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000308705201 181231408 /nfs/dbraw/zinc/23/14/08/181231408.db2.gz GBCBHYGJABZYKG-VHSXEESVSA-N 1 3 211.309 -0.207 20 0 BBADHO CC[N@@H+](C)C[C@H](O)CN[C@H](CO)C(C)C ZINC000308804921 259341053 /nfs/dbraw/zinc/34/10/53/259341053.db2.gz FUXNGRPPAUXOTN-GHMZBOCLSA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@H+](C)C[C@H](O)CN[C@H](CO)C(C)C ZINC000308804921 259341051 /nfs/dbraw/zinc/34/10/51/259341051.db2.gz FUXNGRPPAUXOTN-GHMZBOCLSA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@@H+](C)C[C@@H](O)CN[C@H](CO)C(C)C ZINC000308805285 259340738 /nfs/dbraw/zinc/34/07/38/259340738.db2.gz FUXNGRPPAUXOTN-WDEREUQCSA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@H+](C)C[C@@H](O)CN[C@H](CO)C(C)C ZINC000308805285 259340737 /nfs/dbraw/zinc/34/07/37/259340737.db2.gz FUXNGRPPAUXOTN-WDEREUQCSA-N 1 3 218.341 -0.095 20 0 BBADHO CSCC[C@@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000308821515 348710938 /nfs/dbraw/zinc/71/09/38/348710938.db2.gz CDRAJXLAORSERF-JGVFFNPUSA-N 1 3 219.354 -0.080 20 0 BBADHO CSCC[C@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000308821517 323179256 /nfs/dbraw/zinc/17/92/56/323179256.db2.gz CDRAJXLAORSERF-YUMQZZPRSA-N 1 3 219.354 -0.080 20 0 BBADHO C[C@H](C(N)=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308856847 348908000 /nfs/dbraw/zinc/90/80/00/348908000.db2.gz QTDDQYAUSXQGMW-BBBLOLIVSA-N 1 3 211.309 -0.208 20 0 BBADHO C[C@@H](C(N)=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308856850 348908101 /nfs/dbraw/zinc/90/81/01/348908101.db2.gz QTDDQYAUSXQGMW-LPEHRKFASA-N 1 3 211.309 -0.208 20 0 BBADHO CC(C)([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000308863723 348979930 /nfs/dbraw/zinc/97/99/30/348979930.db2.gz WCNJVSVZJJQARB-BYPYZUCNSA-N 1 3 213.203 -0.271 20 0 BBADHO CC(C)([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000308863724 348979623 /nfs/dbraw/zinc/97/96/23/348979623.db2.gz WCNJVSVZJJQARB-SCSAIBSYSA-N 1 3 213.203 -0.271 20 0 BBADHO C[NH2+][C@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000308866678 385233505 /nfs/dbraw/zinc/23/35/05/385233505.db2.gz FYTCUJAGSLCRPJ-APPZFPTMSA-N 1 3 203.261 -0.588 20 0 BBADHO C[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000308866679 385233339 /nfs/dbraw/zinc/23/33/39/385233339.db2.gz FYTCUJAGSLCRPJ-CBAPKCEASA-N 1 3 203.261 -0.588 20 0 BBADHO C[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000308866680 385233599 /nfs/dbraw/zinc/23/35/99/385233599.db2.gz FYTCUJAGSLCRPJ-IONNQARKSA-N 1 3 203.261 -0.588 20 0 BBADHO C[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000308866681 173446551 /nfs/dbraw/zinc/44/65/51/173446551.db2.gz FYTCUJAGSLCRPJ-VXNVDRBHSA-N 1 3 203.261 -0.588 20 0 BBADHO C[C@H](C(N)=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000308949489 384386339 /nfs/dbraw/zinc/38/63/39/384386339.db2.gz XEQVPOSJFRBDFA-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@@H](C(N)=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000308949490 384387231 /nfs/dbraw/zinc/38/72/31/384387231.db2.gz XEQVPOSJFRBDFA-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO CSCC[C@@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000308993331 349268665 /nfs/dbraw/zinc/26/86/65/349268665.db2.gz LSZQEEXSXMGBCP-HTQZYQBOSA-N 1 3 219.354 -0.080 20 0 BBADHO CSCC[C@@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000308993332 349268582 /nfs/dbraw/zinc/26/85/82/349268582.db2.gz LSZQEEXSXMGBCP-JGVFFNPUSA-N 1 3 219.354 -0.080 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000308993333 349268964 /nfs/dbraw/zinc/26/89/64/349268964.db2.gz LSZQEEXSXMGBCP-SFYZADRCSA-N 1 3 219.354 -0.080 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000308993334 349269028 /nfs/dbraw/zinc/26/90/28/349269028.db2.gz LSZQEEXSXMGBCP-YUMQZZPRSA-N 1 3 219.354 -0.080 20 0 BBADHO CSCC[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000308995846 346947469 /nfs/dbraw/zinc/94/74/69/346947469.db2.gz MNWWIBRZCSVAOA-ZETCQYMHSA-N 1 3 219.354 -0.080 20 0 BBADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)CO)C2)C1 ZINC000308998500 631785597 /nfs/dbraw/zinc/78/55/97/631785597.db2.gz QOTZUSSUNMFUOW-GHMZBOCLSA-N 1 3 214.309 -0.633 20 0 BBADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)CO)C2)C1 ZINC000308998500 631785594 /nfs/dbraw/zinc/78/55/94/631785594.db2.gz QOTZUSSUNMFUOW-GHMZBOCLSA-N 1 3 214.309 -0.633 20 0 BBADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)CO)C2)C1 ZINC000308998501 631785956 /nfs/dbraw/zinc/78/59/56/631785956.db2.gz QOTZUSSUNMFUOW-MNOVXSKESA-N 1 3 214.309 -0.633 20 0 BBADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)CO)C2)C1 ZINC000308998501 631785955 /nfs/dbraw/zinc/78/59/55/631785955.db2.gz QOTZUSSUNMFUOW-MNOVXSKESA-N 1 3 214.309 -0.633 20 0 BBADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1 ZINC000308998502 633838575 /nfs/dbraw/zinc/83/85/75/633838575.db2.gz QOTZUSSUNMFUOW-QWRGUYRKSA-N 1 3 214.309 -0.633 20 0 BBADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1 ZINC000308998502 633838572 /nfs/dbraw/zinc/83/85/72/633838572.db2.gz QOTZUSSUNMFUOW-QWRGUYRKSA-N 1 3 214.309 -0.633 20 0 BBADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1 ZINC000308998503 631785259 /nfs/dbraw/zinc/78/52/59/631785259.db2.gz QOTZUSSUNMFUOW-WDEREUQCSA-N 1 3 214.309 -0.633 20 0 BBADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)CO)C2)C1 ZINC000308998503 631785253 /nfs/dbraw/zinc/78/52/53/631785253.db2.gz QOTZUSSUNMFUOW-WDEREUQCSA-N 1 3 214.309 -0.633 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000309007224 488004177 /nfs/dbraw/zinc/00/41/77/488004177.db2.gz QHHJDANRJIHIAC-CRCLSJGQSA-N 1 3 213.203 -0.271 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000309007225 488003567 /nfs/dbraw/zinc/00/35/67/488003567.db2.gz QHHJDANRJIHIAC-RFZPGFLSSA-N 1 3 213.203 -0.271 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000309007226 488004320 /nfs/dbraw/zinc/00/43/20/488004320.db2.gz QHHJDANRJIHIAC-UHNVWZDZSA-N 1 3 213.203 -0.271 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000309007227 488003891 /nfs/dbraw/zinc/00/38/91/488003891.db2.gz QHHJDANRJIHIAC-WHFBIAKZSA-N 1 3 213.203 -0.271 20 0 BBADHO CSCC[C@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000309016008 323190065 /nfs/dbraw/zinc/19/00/65/323190065.db2.gz UMIOTSHCNMCURZ-SFYZADRCSA-N 1 3 219.354 -0.222 20 0 BBADHO CSCC[C@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000309016009 323190088 /nfs/dbraw/zinc/19/00/88/323190088.db2.gz UMIOTSHCNMCURZ-YUMQZZPRSA-N 1 3 219.354 -0.222 20 0 BBADHO CCC[NH2+]CCNC(=O)[C@@H](CN)OC ZINC000309019219 349304655 /nfs/dbraw/zinc/30/46/55/349304655.db2.gz WACYGKJBQRDPMK-MRVPVSSYSA-N 1 3 203.286 -0.924 20 0 BBADHO CCC[NH2+]CCNC(=O)[C@H](CN)OC ZINC000309019220 349305081 /nfs/dbraw/zinc/30/50/81/349305081.db2.gz WACYGKJBQRDPMK-QMMMGPOBSA-N 1 3 203.286 -0.924 20 0 BBADHO CN(CCC[NH3+])C(=O)C(N)C(F)(F)F ZINC000309022539 410200109 /nfs/dbraw/zinc/20/01/09/410200109.db2.gz YCSQNFJJHBSESY-RXMQYKEDSA-N 1 3 213.203 -0.317 20 0 BBADHO CN(CCC[NH3+])C(=O)C(N)C(F)(F)F ZINC000309022540 410200404 /nfs/dbraw/zinc/20/04/04/410200404.db2.gz YCSQNFJJHBSESY-YFKPBYRVSA-N 1 3 213.203 -0.317 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](N)C(C)C ZINC000309023481 410200715 /nfs/dbraw/zinc/20/07/15/410200715.db2.gz YQHRCSCMNMCTME-DTWKUNHWSA-N 1 3 201.314 -0.059 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](N)C(C)C ZINC000309023483 491051725 /nfs/dbraw/zinc/05/17/25/491051725.db2.gz YQHRCSCMNMCTME-RKDXNWHRSA-N 1 3 201.314 -0.059 20 0 BBADHO C[C@H](C[NH3+])NC(=O)C[C@@H]1CSCCN1 ZINC000309023809 323194298 /nfs/dbraw/zinc/19/42/98/323194298.db2.gz YUUFAROLEBIZCZ-HTQZYQBOSA-N 1 3 217.338 -0.455 20 0 BBADHO C[C@H](C[NH3+])NC(=O)C[C@H]1CSCCN1 ZINC000309023810 323194385 /nfs/dbraw/zinc/19/43/85/323194385.db2.gz YUUFAROLEBIZCZ-SFYZADRCSA-N 1 3 217.338 -0.455 20 0 BBADHO CC[C@H](N)C(=O)NCC[NH2+]CCOC ZINC000309026043 349317582 /nfs/dbraw/zinc/31/75/82/349317582.db2.gz ZYUVBEPYWYTZLH-QMMMGPOBSA-N 1 3 203.286 -0.924 20 0 BBADHO CN(C(=O)CC[NH3+])[C@H]1CN2CCC1CC2 ZINC000309036243 385942504 /nfs/dbraw/zinc/94/25/04/385942504.db2.gz GFDQXLOPOLFDMD-JTQLQIEISA-N 1 3 211.309 -0.112 20 0 BBADHO CN(C(=O)CC[NH3+])[C@@H]1CN2CCC1CC2 ZINC000309036244 385942370 /nfs/dbraw/zinc/94/23/70/385942370.db2.gz GFDQXLOPOLFDMD-SNVBAGLBSA-N 1 3 211.309 -0.112 20 0 BBADHO CN(CCOCC[NH3+])CCn1cncn1 ZINC000309041410 488046999 /nfs/dbraw/zinc/04/69/99/488046999.db2.gz KDRWBVYJMTUZQS-UHFFFAOYSA-N 1 3 213.285 -0.815 20 0 BBADHO C[NH2+]CCN(C)C(=O)[C@@]1(F)CCNC1 ZINC000309087408 173351841 /nfs/dbraw/zinc/35/18/41/173351841.db2.gz ZNPMRBGETZMEKW-SECBINFHSA-N 1 3 203.261 -0.634 20 0 BBADHO C[NH2+]CCN(C)C(=O)[C@]1(F)CCNC1 ZINC000309087409 173351914 /nfs/dbraw/zinc/35/19/14/173351914.db2.gz ZNPMRBGETZMEKW-VIFPVBQESA-N 1 3 203.261 -0.634 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)C(N)C(F)(F)F ZINC000309092656 323316448 /nfs/dbraw/zinc/31/64/48/323316448.db2.gz BSSJHWYVZWWECI-CRCLSJGQSA-N 1 3 213.203 -0.271 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)C(N)C(F)(F)F ZINC000309092659 323316087 /nfs/dbraw/zinc/31/60/87/323316087.db2.gz BSSJHWYVZWWECI-WHFBIAKZSA-N 1 3 213.203 -0.271 20 0 BBADHO COCC[NH2+]CCNC(=O)C(C)(C)N ZINC000309097802 259342187 /nfs/dbraw/zinc/34/21/87/259342187.db2.gz DMUPFDHZQJATSL-UHFFFAOYSA-N 1 3 203.286 -0.924 20 0 BBADHO C[C@@H](CCO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309101217 410248675 /nfs/dbraw/zinc/24/86/75/410248675.db2.gz JFROLCSFNHJKQX-GXSJLCMTSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@@H](CCO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309101217 410248667 /nfs/dbraw/zinc/24/86/67/410248667.db2.gz JFROLCSFNHJKQX-GXSJLCMTSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@H](CCO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309101218 410249452 /nfs/dbraw/zinc/24/94/52/410249452.db2.gz JFROLCSFNHJKQX-KOLCDFICSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@H](CCO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000309101218 410249445 /nfs/dbraw/zinc/24/94/45/410249445.db2.gz JFROLCSFNHJKQX-KOLCDFICSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@H](CCO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309101219 410249994 /nfs/dbraw/zinc/24/99/94/410249994.db2.gz JFROLCSFNHJKQX-MWLCHTKSSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@H](CCO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309101219 410249990 /nfs/dbraw/zinc/24/99/90/410249990.db2.gz JFROLCSFNHJKQX-MWLCHTKSSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@@H](CCO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309101220 410249866 /nfs/dbraw/zinc/24/98/66/410249866.db2.gz JFROLCSFNHJKQX-ONGXEEELSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@@H](CCO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000309101220 410249860 /nfs/dbraw/zinc/24/98/60/410249860.db2.gz JFROLCSFNHJKQX-ONGXEEELSA-N 1 3 216.325 -0.198 20 0 BBADHO COCCNCC(=O)N(C)CCC[NH3+] ZINC000309107557 410249729 /nfs/dbraw/zinc/24/97/29/410249729.db2.gz IOWSKJBOYOYHLV-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO CC[NH2+]CCNC(=O)C(N)C(F)(F)F ZINC000309110187 350013095 /nfs/dbraw/zinc/01/30/95/350013095.db2.gz JIHNTNJKWYRNPF-RXMQYKEDSA-N 1 3 213.203 -0.398 20 0 BBADHO CC[NH2+]CCNC(=O)C(N)C(F)(F)F ZINC000309110188 350013166 /nfs/dbraw/zinc/01/31/66/350013166.db2.gz JIHNTNJKWYRNPF-YFKPBYRVSA-N 1 3 213.203 -0.398 20 0 BBADHO COCCNCC(=O)NCC[C@H](C)[NH3+] ZINC000309112735 259342104 /nfs/dbraw/zinc/34/21/04/259342104.db2.gz KGIVJXMWMHMXQC-QMMMGPOBSA-N 1 3 203.286 -0.924 20 0 BBADHO COCCNCC(=O)N[C@H](C)CC[NH3+] ZINC000309125802 350078430 /nfs/dbraw/zinc/07/84/30/350078430.db2.gz PMKLDUPKCRGMIZ-MRVPVSSYSA-N 1 3 203.286 -0.924 20 0 BBADHO COCCNCC(=O)N[C@@H](C)CC[NH3+] ZINC000309125803 350078396 /nfs/dbraw/zinc/07/83/96/350078396.db2.gz PMKLDUPKCRGMIZ-QMMMGPOBSA-N 1 3 203.286 -0.924 20 0 BBADHO COCCNCCNC(=O)CCC[NH3+] ZINC000309126220 350078601 /nfs/dbraw/zinc/07/86/01/350078601.db2.gz PRLUXCHHVWTWSL-UHFFFAOYSA-N 1 3 203.286 -0.923 20 0 BBADHO O[C@@H](CN1CCCC1)C[N@H+]1CC[C@H](O)C1 ZINC000309134188 631903580 /nfs/dbraw/zinc/90/35/80/631903580.db2.gz YNGAGQMZSTWUBX-QWRGUYRKSA-N 1 3 214.309 -0.490 20 0 BBADHO O[C@@H](CN1CCCC1)C[N@@H+]1CC[C@H](O)C1 ZINC000309134188 631903575 /nfs/dbraw/zinc/90/35/75/631903575.db2.gz YNGAGQMZSTWUBX-QWRGUYRKSA-N 1 3 214.309 -0.490 20 0 BBADHO O[C@H](CN1CCCC1)C[N@H+]1CC[C@H](O)C1 ZINC000309134189 631902522 /nfs/dbraw/zinc/90/25/22/631902522.db2.gz YNGAGQMZSTWUBX-WDEREUQCSA-N 1 3 214.309 -0.490 20 0 BBADHO O[C@H](CN1CCCC1)C[N@@H+]1CC[C@H](O)C1 ZINC000309134189 631902517 /nfs/dbraw/zinc/90/25/17/631902517.db2.gz YNGAGQMZSTWUBX-WDEREUQCSA-N 1 3 214.309 -0.490 20 0 BBADHO COCCNCC(=O)NCC(C)(C)[NH3+] ZINC000309136803 323319198 /nfs/dbraw/zinc/31/91/98/323319198.db2.gz SEPOIIDMFYXCKN-UHFFFAOYSA-N 1 3 203.286 -0.924 20 0 BBADHO CC[C@@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309138756 350080451 /nfs/dbraw/zinc/08/04/51/350080451.db2.gz ZYYCQTWQYMMCIV-GXSJLCMTSA-N 1 3 216.325 -0.198 20 0 BBADHO CC[C@@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309138756 350080449 /nfs/dbraw/zinc/08/04/49/350080449.db2.gz ZYYCQTWQYMMCIV-GXSJLCMTSA-N 1 3 216.325 -0.198 20 0 BBADHO CC[C@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309138758 410260871 /nfs/dbraw/zinc/26/08/71/410260871.db2.gz ZYYCQTWQYMMCIV-KOLCDFICSA-N 1 3 216.325 -0.198 20 0 BBADHO CC[C@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000309138758 410260869 /nfs/dbraw/zinc/26/08/69/410260869.db2.gz ZYYCQTWQYMMCIV-KOLCDFICSA-N 1 3 216.325 -0.198 20 0 BBADHO CC[C@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309138759 410260533 /nfs/dbraw/zinc/26/05/33/410260533.db2.gz ZYYCQTWQYMMCIV-MWLCHTKSSA-N 1 3 216.325 -0.198 20 0 BBADHO CC[C@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309138759 410260527 /nfs/dbraw/zinc/26/05/27/410260527.db2.gz ZYYCQTWQYMMCIV-MWLCHTKSSA-N 1 3 216.325 -0.198 20 0 BBADHO CC[C@@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309138760 350080230 /nfs/dbraw/zinc/08/02/30/350080230.db2.gz ZYYCQTWQYMMCIV-ONGXEEELSA-N 1 3 216.325 -0.198 20 0 BBADHO CC[C@@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000309138760 350080227 /nfs/dbraw/zinc/08/02/27/350080227.db2.gz ZYYCQTWQYMMCIV-ONGXEEELSA-N 1 3 216.325 -0.198 20 0 BBADHO CSCC[C@H](N)C(=O)N(C)CCC[NH3+] ZINC000309144057 346970747 /nfs/dbraw/zinc/97/07/47/346970747.db2.gz UMRNNIPAFLQXKG-QMMMGPOBSA-N 1 3 219.354 -0.126 20 0 BBADHO CN(C)S(=O)(=O)CCN1CCC(C[NH3+])CC1 ZINC000309175212 385991339 /nfs/dbraw/zinc/99/13/39/385991339.db2.gz BZJCJLXCSMKLHC-UHFFFAOYSA-N 1 3 249.380 -0.452 20 0 BBADHO CC(C)(C[NH3+])NC(=O)COC1(C)CNC1 ZINC000309248929 410634586 /nfs/dbraw/zinc/63/45/86/410634586.db2.gz DGLFNYIMJNFUMX-UHFFFAOYSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)([NH3+])CNC(=O)COC1(C)CNC1 ZINC000309260896 410668605 /nfs/dbraw/zinc/66/86/05/410668605.db2.gz IALMATBKHKKLAS-UHFFFAOYSA-N 1 3 215.297 -0.782 20 0 BBADHO COC[C@@]1(C(=O)NCCN(C)C)CC[NH2+]C1 ZINC000309263468 323336666 /nfs/dbraw/zinc/33/66/66/323336666.db2.gz QQWITOHIOXGXIP-LLVKDONJSA-N 1 3 229.324 -0.710 20 0 BBADHO COC[C@]1(C(=O)NCCN(C)C)CC[NH2+]C1 ZINC000309263470 323081998 /nfs/dbraw/zinc/08/19/98/323081998.db2.gz QQWITOHIOXGXIP-NSHDSACASA-N 1 3 229.324 -0.710 20 0 BBADHO CC(C)(N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000309265376 410691929 /nfs/dbraw/zinc/69/19/29/410691929.db2.gz JHOUZDCUIFVPTD-MRVPVSSYSA-N 1 3 211.309 -0.018 20 0 BBADHO CC(C)(N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000309265377 410691890 /nfs/dbraw/zinc/69/18/90/410691890.db2.gz JHOUZDCUIFVPTD-QMMMGPOBSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+]CCCNC(=O)CNC[C@H]1CCCO1 ZINC000309270593 347012599 /nfs/dbraw/zinc/01/25/99/347012599.db2.gz CZGFZALRXKWQMA-SECBINFHSA-N 1 3 215.297 -0.780 20 0 BBADHO [NH3+]CCCNC(=O)CNC[C@@H]1CCCO1 ZINC000309270595 350248583 /nfs/dbraw/zinc/24/85/83/350248583.db2.gz CZGFZALRXKWQMA-VIFPVBQESA-N 1 3 215.297 -0.780 20 0 BBADHO CC(C)(C[NH3+])NC(=O)CCOC1CNC1 ZINC000309272225 350248124 /nfs/dbraw/zinc/24/81/24/350248124.db2.gz LGHSIARHVRVTPK-UHFFFAOYSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309277568 350252166 /nfs/dbraw/zinc/25/21/66/350252166.db2.gz MMHSLFASYKCYRH-BDAKNGLRSA-N 1 3 211.309 -0.208 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309277573 350252090 /nfs/dbraw/zinc/25/20/90/350252090.db2.gz MMHSLFASYKCYRH-DTWKUNHWSA-N 1 3 211.309 -0.208 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309277578 350252474 /nfs/dbraw/zinc/25/24/74/350252474.db2.gz MMHSLFASYKCYRH-IUCAKERBSA-N 1 3 211.309 -0.208 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309277583 350252444 /nfs/dbraw/zinc/25/24/44/350252444.db2.gz MMHSLFASYKCYRH-RKDXNWHRSA-N 1 3 211.309 -0.208 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309285020 323340430 /nfs/dbraw/zinc/34/04/30/323340430.db2.gz GJINYADTDZEQAC-KXUCPTDWSA-N 1 3 211.309 -0.353 20 0 BBADHO CC[N@@H+](C)C[C@@H](O)CN1CCCN(C)CC1 ZINC000309294927 350270146 /nfs/dbraw/zinc/27/01/46/350270146.db2.gz WTCMZSYKQPMWLX-GFCCVEGCSA-N 1 3 229.368 -0.064 20 0 BBADHO CC[N@H+](C)C[C@@H](O)CN1CCCN(C)CC1 ZINC000309294927 350270144 /nfs/dbraw/zinc/27/01/44/350270144.db2.gz WTCMZSYKQPMWLX-GFCCVEGCSA-N 1 3 229.368 -0.064 20 0 BBADHO CC[N@@H+](C)C[C@H](O)CN1CCCN(C)CC1 ZINC000309294928 350269753 /nfs/dbraw/zinc/26/97/53/350269753.db2.gz WTCMZSYKQPMWLX-LBPRGKRZSA-N 1 3 229.368 -0.064 20 0 BBADHO CC[N@H+](C)C[C@H](O)CN1CCCN(C)CC1 ZINC000309294928 350269751 /nfs/dbraw/zinc/26/97/51/350269751.db2.gz WTCMZSYKQPMWLX-LBPRGKRZSA-N 1 3 229.368 -0.064 20 0 BBADHO CC(C)([NH3+])CNC(=O)C[C@@H]1CNCCO1 ZINC000309297890 350269795 /nfs/dbraw/zinc/26/97/95/350269795.db2.gz SARLFKJSXUMFTO-MRVPVSSYSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)([NH3+])CNC(=O)C[C@H]1CNCCO1 ZINC000309297891 350270181 /nfs/dbraw/zinc/27/01/81/350270181.db2.gz SARLFKJSXUMFTO-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309311785 350275443 /nfs/dbraw/zinc/27/54/43/350275443.db2.gz XFMJYAQTKIYLFL-LLVKDONJSA-N 1 3 211.309 -0.064 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000309311786 350275234 /nfs/dbraw/zinc/27/52/34/350275234.db2.gz XFMJYAQTKIYLFL-NSHDSACASA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]CC1CCN(C(=O)CNC2CC2)CC1 ZINC000309337727 411101900 /nfs/dbraw/zinc/10/19/00/411101900.db2.gz AYGWYPJKJHEDHX-UHFFFAOYSA-N 1 3 211.309 -0.064 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309361242 350352309 /nfs/dbraw/zinc/35/23/09/350352309.db2.gz ALFBLYOIIGBLKO-BDAKNGLRSA-N 1 3 215.297 -0.782 20 0 BBADHO CO[C@H](CN)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309361244 350352197 /nfs/dbraw/zinc/35/21/97/350352197.db2.gz ALFBLYOIIGBLKO-RKDXNWHRSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CNC2CC2)C1 ZINC000309362993 347041643 /nfs/dbraw/zinc/04/16/43/347041643.db2.gz ATSOSTZMTNWHLT-BDAKNGLRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000309362994 350356707 /nfs/dbraw/zinc/35/67/07/350356707.db2.gz ATSOSTZMTNWHLT-DTWKUNHWSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)CNC2CC2)C1 ZINC000309362995 350356693 /nfs/dbraw/zinc/35/66/93/350356693.db2.gz ATSOSTZMTNWHLT-IUCAKERBSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000309362996 350356372 /nfs/dbraw/zinc/35/63/72/350356372.db2.gz ATSOSTZMTNWHLT-RKDXNWHRSA-N 1 3 211.309 -0.066 20 0 BBADHO CO[C@H](CN)C(=O)NC1(C[NH3+])CCCC1 ZINC000309374950 350362062 /nfs/dbraw/zinc/36/20/62/350362062.db2.gz CMJWPHIZZWSIOS-MRVPVSSYSA-N 1 3 215.297 -0.652 20 0 BBADHO CO[C@@H](CN)C(=O)NC1(C[NH3+])CCCC1 ZINC000309374953 347043979 /nfs/dbraw/zinc/04/39/79/347043979.db2.gz CMJWPHIZZWSIOS-QMMMGPOBSA-N 1 3 215.297 -0.652 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)C[C@@H]1CNCCO1 ZINC000309378101 350360597 /nfs/dbraw/zinc/36/05/97/350360597.db2.gz CXYVBXRQQNORKW-DTWKUNHWSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)C[C@H]1CNCCO1 ZINC000309378104 350360277 /nfs/dbraw/zinc/36/02/77/350360277.db2.gz CXYVBXRQQNORKW-IUCAKERBSA-N 1 3 215.297 -0.782 20 0 BBADHO CO[C@H](CN)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000309382887 350366712 /nfs/dbraw/zinc/36/67/12/350366712.db2.gz DPJJRZAWEJMZNQ-PSASIEDQSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000309382890 350366824 /nfs/dbraw/zinc/36/68/24/350366824.db2.gz DPJJRZAWEJMZNQ-SCZZXKLOSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000309382892 350366346 /nfs/dbraw/zinc/36/63/46/350366346.db2.gz DPJJRZAWEJMZNQ-WCBMZHEXSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000309382894 350366530 /nfs/dbraw/zinc/36/65/30/350366530.db2.gz DPJJRZAWEJMZNQ-WPRPVWTQSA-N 1 3 217.313 -0.550 20 0 BBADHO NCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000309384236 323365464 /nfs/dbraw/zinc/36/54/64/323365464.db2.gz AGKGLSBLEAASRN-JTQLQIEISA-N 1 3 211.309 -0.207 20 0 BBADHO NCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000309384238 323365106 /nfs/dbraw/zinc/36/51/06/323365106.db2.gz AGKGLSBLEAASRN-SNVBAGLBSA-N 1 3 211.309 -0.207 20 0 BBADHO C[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000309385552 633906292 /nfs/dbraw/zinc/90/62/92/633906292.db2.gz FAQLBVJPELJSEE-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000309385556 633004632 /nfs/dbraw/zinc/00/46/32/633004632.db2.gz FAQLBVJPELJSEE-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309389004 385559711 /nfs/dbraw/zinc/55/97/11/385559711.db2.gz FLAMNATWFXBCIY-BDAKNGLRSA-N 1 3 215.297 -0.844 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309389007 385560121 /nfs/dbraw/zinc/56/01/21/385560121.db2.gz FLAMNATWFXBCIY-IUCAKERBSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309389100 633005790 /nfs/dbraw/zinc/00/57/90/633005790.db2.gz FMMHEJNXWJPXQN-BDAKNGLRSA-N 1 3 215.297 -0.782 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309389106 632022482 /nfs/dbraw/zinc/02/24/82/632022482.db2.gz FMMHEJNXWJPXQN-IUCAKERBSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000309391547 350366389 /nfs/dbraw/zinc/36/63/89/350366389.db2.gz FYZHHCBNNQQVPT-BQBZGAKWSA-N 1 3 221.251 -0.211 20 0 BBADHO C[C@H]1CNCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000309391549 350366961 /nfs/dbraw/zinc/36/69/61/350366961.db2.gz FYZHHCBNNQQVPT-NKWVEPMBSA-N 1 3 221.251 -0.211 20 0 BBADHO C[C@@H]1CNCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000309391550 323371210 /nfs/dbraw/zinc/37/12/10/323371210.db2.gz FYZHHCBNNQQVPT-RNFRBKRXSA-N 1 3 221.251 -0.211 20 0 BBADHO C[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000309391551 323371187 /nfs/dbraw/zinc/37/11/87/323371187.db2.gz FYZHHCBNNQQVPT-RQJHMYQMSA-N 1 3 221.251 -0.211 20 0 BBADHO C[C@H]([NH3+])CNC(=O)[C@@H]1CNCCC1(F)F ZINC000309393758 411163237 /nfs/dbraw/zinc/16/32/37/411163237.db2.gz GGDWOXCABGKSCT-BQBZGAKWSA-N 1 3 221.251 -0.305 20 0 BBADHO C[C@H]([NH3+])CNC(=O)[C@H]1CNCCC1(F)F ZINC000309393759 411163258 /nfs/dbraw/zinc/16/32/58/411163258.db2.gz GGDWOXCABGKSCT-NKWVEPMBSA-N 1 3 221.251 -0.305 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)[C@H]1CNCCC1(F)F ZINC000309393760 411163487 /nfs/dbraw/zinc/16/34/87/411163487.db2.gz GGDWOXCABGKSCT-RNFRBKRXSA-N 1 3 221.251 -0.305 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)[C@@H]1CNCCC1(F)F ZINC000309393761 411163315 /nfs/dbraw/zinc/16/33/15/411163315.db2.gz GGDWOXCABGKSCT-RQJHMYQMSA-N 1 3 221.251 -0.305 20 0 BBADHO COCCNCC(=O)NC[C@@H]([NH3+])C(C)C ZINC000309397126 347047051 /nfs/dbraw/zinc/04/70/51/347047051.db2.gz GRSQPBJIVWPXIO-SECBINFHSA-N 1 3 217.313 -0.678 20 0 BBADHO COCCNCC(=O)NC[C@H]([NH3+])C(C)C ZINC000309397127 350367730 /nfs/dbraw/zinc/36/77/30/350367730.db2.gz GRSQPBJIVWPXIO-VIFPVBQESA-N 1 3 217.313 -0.678 20 0 BBADHO CSCC[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000309397227 262726140 /nfs/dbraw/zinc/72/61/40/262726140.db2.gz GUWANRISDFYAFF-BDAKNGLRSA-N 1 3 231.365 -0.113 20 0 BBADHO CSCC[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000309397228 350367657 /nfs/dbraw/zinc/36/76/57/350367657.db2.gz GUWANRISDFYAFF-DTWKUNHWSA-N 1 3 231.365 -0.113 20 0 BBADHO CSCC[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000309397229 383871194 /nfs/dbraw/zinc/87/11/94/383871194.db2.gz GUWANRISDFYAFF-IUCAKERBSA-N 1 3 231.365 -0.113 20 0 BBADHO CSCC[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000309397231 350367361 /nfs/dbraw/zinc/36/73/61/350367361.db2.gz GUWANRISDFYAFF-RKDXNWHRSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)CNC[C@H]1CCCO1 ZINC000309402483 633017585 /nfs/dbraw/zinc/01/75/85/633017585.db2.gz HNEQWSUQIXEXRL-DTWKUNHWSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)CNC[C@@H]1CCCO1 ZINC000309402484 633017828 /nfs/dbraw/zinc/01/78/28/633017828.db2.gz HNEQWSUQIXEXRL-IUCAKERBSA-N 1 3 215.297 -0.782 20 0 BBADHO CNCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000309403614 173328203 /nfs/dbraw/zinc/32/82/03/173328203.db2.gz HSTJEXSWOYZRQG-AEJSXWLSSA-N 1 3 211.309 -0.208 20 0 BBADHO CNCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000309403616 173328231 /nfs/dbraw/zinc/32/82/31/173328231.db2.gz HSTJEXSWOYZRQG-GUBZILKMSA-N 1 3 211.309 -0.208 20 0 BBADHO CNCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000309403618 173328233 /nfs/dbraw/zinc/32/82/33/173328233.db2.gz HSTJEXSWOYZRQG-IVZWLZJFSA-N 1 3 211.309 -0.208 20 0 BBADHO CNCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000309403619 173327992 /nfs/dbraw/zinc/32/79/92/173327992.db2.gz HSTJEXSWOYZRQG-LPEHRKFASA-N 1 3 211.309 -0.208 20 0 BBADHO CC(C)C[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309403628 385571554 /nfs/dbraw/zinc/57/15/54/385571554.db2.gz HSYZOMPUQUVMBA-QCLAVDOMSA-N 1 3 211.309 -0.306 20 0 BBADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309403630 385570993 /nfs/dbraw/zinc/57/09/93/385570993.db2.gz HSYZOMPUQUVMBA-RGOKHQFPSA-N 1 3 211.309 -0.306 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309404619 323381583 /nfs/dbraw/zinc/38/15/83/323381583.db2.gz HUWGFUANEQOWKY-UYXSQOIJSA-N 1 3 229.349 -0.599 20 0 BBADHO CSCC[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309404621 347056597 /nfs/dbraw/zinc/05/65/97/347056597.db2.gz HUWGFUANEQOWKY-XAVMHZPKSA-N 1 3 229.349 -0.599 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)CCOC1CNC1 ZINC000309405633 259343485 /nfs/dbraw/zinc/34/34/85/259343485.db2.gz HXKGSCBTWKEKAH-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](CN)OC ZINC000309419981 347059913 /nfs/dbraw/zinc/05/99/13/347059913.db2.gz JSVZIPZZUVJOTK-BDAKNGLRSA-N 1 3 217.313 -0.406 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CN)OC ZINC000309419983 347059573 /nfs/dbraw/zinc/05/95/73/347059573.db2.gz JSVZIPZZUVJOTK-DTWKUNHWSA-N 1 3 217.313 -0.406 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](CN)OC ZINC000309419986 347059649 /nfs/dbraw/zinc/05/96/49/347059649.db2.gz JSVZIPZZUVJOTK-IUCAKERBSA-N 1 3 217.313 -0.406 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](CN)OC ZINC000309419989 347059907 /nfs/dbraw/zinc/05/99/07/347059907.db2.gz JSVZIPZZUVJOTK-RKDXNWHRSA-N 1 3 217.313 -0.406 20 0 BBADHO CN1CC[C@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000309440246 633074680 /nfs/dbraw/zinc/07/46/80/633074680.db2.gz NXLGWLZYLKVZBE-AXFHLTTASA-N 1 3 223.320 -0.242 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309454119 173375471 /nfs/dbraw/zinc/37/54/71/173375471.db2.gz NHJDGMCCZVTKPF-NTSWFWBYSA-N 1 3 227.230 -0.152 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309454121 173363781 /nfs/dbraw/zinc/36/37/81/173363781.db2.gz NHJDGMCCZVTKPF-PHDIDXHHSA-N 1 3 227.230 -0.152 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309454122 173364288 /nfs/dbraw/zinc/36/42/88/173364288.db2.gz NHJDGMCCZVTKPF-RITPCOANSA-N 1 3 227.230 -0.152 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309454123 173375418 /nfs/dbraw/zinc/37/54/18/173375418.db2.gz NHJDGMCCZVTKPF-WDSKDSINSA-N 1 3 227.230 -0.152 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309455627 385588885 /nfs/dbraw/zinc/58/88/85/385588885.db2.gz NOXVESSKIUYYQR-AEJSXWLSSA-N 1 3 211.309 -0.208 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309455628 385587989 /nfs/dbraw/zinc/58/79/89/385587989.db2.gz NOXVESSKIUYYQR-BBBLOLIVSA-N 1 3 211.309 -0.208 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309455630 385588058 /nfs/dbraw/zinc/58/80/58/385588058.db2.gz NOXVESSKIUYYQR-GUBZILKMSA-N 1 3 211.309 -0.208 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309455631 385588069 /nfs/dbraw/zinc/58/80/69/385588069.db2.gz NOXVESSKIUYYQR-UTLUCORTSA-N 1 3 211.309 -0.208 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309456536 487557813 /nfs/dbraw/zinc/55/78/13/487557813.db2.gz NTUUYVFAQHNZGU-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309456537 487557971 /nfs/dbraw/zinc/55/79/71/487557971.db2.gz NTUUYVFAQHNZGU-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309456538 487558383 /nfs/dbraw/zinc/55/83/83/487558383.db2.gz NTUUYVFAQHNZGU-IVZWLZJFSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309456539 487557948 /nfs/dbraw/zinc/55/79/48/487557948.db2.gz NTUUYVFAQHNZGU-OPRDCNLKSA-N 1 3 211.309 -0.066 20 0 BBADHO CCC[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309456613 385588983 /nfs/dbraw/zinc/58/89/83/385588983.db2.gz NVPIMKBYSPXRGD-BDAKNGLRSA-N 1 3 215.297 -0.700 20 0 BBADHO CCC[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309456614 169387919 /nfs/dbraw/zinc/38/79/19/169387919.db2.gz NVPIMKBYSPXRGD-DTWKUNHWSA-N 1 3 215.297 -0.700 20 0 BBADHO CCC[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309456615 384203457 /nfs/dbraw/zinc/20/34/57/384203457.db2.gz NVPIMKBYSPXRGD-IUCAKERBSA-N 1 3 215.297 -0.700 20 0 BBADHO CCC[C@@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309456616 169387871 /nfs/dbraw/zinc/38/78/71/169387871.db2.gz NVPIMKBYSPXRGD-RKDXNWHRSA-N 1 3 215.297 -0.700 20 0 BBADHO CC[NH2+]CCCNC(=O)C(N)C(F)(F)F ZINC000309458282 347066794 /nfs/dbraw/zinc/06/67/94/347066794.db2.gz ODNKHSMXTIVRDS-LURJTMIESA-N 1 3 227.230 -0.008 20 0 BBADHO CC[NH2+]CCCNC(=O)C(N)C(F)(F)F ZINC000309458283 347066860 /nfs/dbraw/zinc/06/68/60/347066860.db2.gz ODNKHSMXTIVRDS-ZCFIWIBFSA-N 1 3 227.230 -0.008 20 0 BBADHO CN(CCC[NH3+])C(=O)C[C@@H]1CNCCO1 ZINC000309460380 411403898 /nfs/dbraw/zinc/40/38/98/411403898.db2.gz OPJDCIJKAVITIX-SECBINFHSA-N 1 3 215.297 -0.828 20 0 BBADHO CN(CCC[NH3+])C(=O)C[C@H]1CNCCO1 ZINC000309460381 411403602 /nfs/dbraw/zinc/40/36/02/411403602.db2.gz OPJDCIJKAVITIX-VIFPVBQESA-N 1 3 215.297 -0.828 20 0 BBADHO CC[C@@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000309463221 411496227 /nfs/dbraw/zinc/49/62/27/411496227.db2.gz PHYBGCLOJWQMND-BDAKNGLRSA-N 1 3 211.309 -0.018 20 0 BBADHO CC[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000309463223 411496241 /nfs/dbraw/zinc/49/62/41/411496241.db2.gz PHYBGCLOJWQMND-DTWKUNHWSA-N 1 3 211.309 -0.018 20 0 BBADHO CC[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000309463225 411496494 /nfs/dbraw/zinc/49/64/94/411496494.db2.gz PHYBGCLOJWQMND-IUCAKERBSA-N 1 3 211.309 -0.018 20 0 BBADHO CC[C@@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000309463227 411496602 /nfs/dbraw/zinc/49/66/02/411496602.db2.gz PHYBGCLOJWQMND-RKDXNWHRSA-N 1 3 211.309 -0.018 20 0 BBADHO C[N@H+]1CC[C@@](O)(CNCC2=CCCOC2)C1 ZINC000309464492 173138642 /nfs/dbraw/zinc/13/86/42/173138642.db2.gz OYECGCIXHBNKIQ-GFCCVEGCSA-N 1 3 226.320 -0.011 20 0 BBADHO C[N@@H+]1CC[C@@](O)(CNCC2=CCCOC2)C1 ZINC000309464492 173138640 /nfs/dbraw/zinc/13/86/40/173138640.db2.gz OYECGCIXHBNKIQ-GFCCVEGCSA-N 1 3 226.320 -0.011 20 0 BBADHO C[N@H+]1CC[C@](O)(CNCC2=CCCOC2)C1 ZINC000309464494 173164468 /nfs/dbraw/zinc/16/44/68/173164468.db2.gz OYECGCIXHBNKIQ-LBPRGKRZSA-N 1 3 226.320 -0.011 20 0 BBADHO C[N@@H+]1CC[C@](O)(CNCC2=CCCOC2)C1 ZINC000309464494 173164467 /nfs/dbraw/zinc/16/44/67/173164467.db2.gz OYECGCIXHBNKIQ-LBPRGKRZSA-N 1 3 226.320 -0.011 20 0 BBADHO COCCNCC(=O)NCC1([NH3+])CCC1 ZINC000309464845 347069301 /nfs/dbraw/zinc/06/93/01/347069301.db2.gz PRHAKHFPWISGSW-UHFFFAOYSA-N 1 3 215.297 -0.780 20 0 BBADHO CSCC[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000309466581 347070011 /nfs/dbraw/zinc/07/00/11/347070011.db2.gz QBWZYOCWVCNJKK-SECBINFHSA-N 1 3 231.365 -0.065 20 0 BBADHO CSCC[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000309466582 350538998 /nfs/dbraw/zinc/53/89/98/350538998.db2.gz QBWZYOCWVCNJKK-VIFPVBQESA-N 1 3 231.365 -0.065 20 0 BBADHO COC(=O)[C@@H]1CNCCCN1C[C@@H](C)[NH3+] ZINC000309474291 385602368 /nfs/dbraw/zinc/60/23/68/385602368.db2.gz ROPFFZGPQLJEII-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO COC(=O)[C@H]1CNCCCN1C[C@H](C)[NH3+] ZINC000309474294 385604019 /nfs/dbraw/zinc/60/40/19/385604019.db2.gz ROPFFZGPQLJEII-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO COC(=O)[C@@H]1CNCCCN1C[C@H](C)[NH3+] ZINC000309474298 385604237 /nfs/dbraw/zinc/60/42/37/385604237.db2.gz ROPFFZGPQLJEII-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO COC(=O)[C@H]1CNCCCN1C[C@@H](C)[NH3+] ZINC000309474301 385604178 /nfs/dbraw/zinc/60/41/78/385604178.db2.gz ROPFFZGPQLJEII-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)COC1(C)CNC1 ZINC000309474369 411497967 /nfs/dbraw/zinc/49/79/67/411497967.db2.gz RPJRKUNRDTVDER-MRVPVSSYSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)COC1(C)CNC1 ZINC000309474373 411497747 /nfs/dbraw/zinc/49/77/47/411497747.db2.gz RPJRKUNRDTVDER-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO COC[C@](C)(CCO)NCCOCC[NH3+] ZINC000309476232 385608964 /nfs/dbraw/zinc/60/89/64/385608964.db2.gz RZTMDHNFDIRBQH-JTQLQIEISA-N 1 3 220.313 -0.661 20 0 BBADHO COC[C@@](C)(CCO)NCCOCC[NH3+] ZINC000309476233 385607382 /nfs/dbraw/zinc/60/73/82/385607382.db2.gz RZTMDHNFDIRBQH-SNVBAGLBSA-N 1 3 220.313 -0.661 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309476319 387807685 /nfs/dbraw/zinc/80/76/85/387807685.db2.gz SBCMKTQBPGEWDQ-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309476321 323415920 /nfs/dbraw/zinc/41/59/20/323415920.db2.gz SBCMKTQBPGEWDQ-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309476325 387806906 /nfs/dbraw/zinc/80/69/06/387806906.db2.gz SBCMKTQBPGEWDQ-IVZWLZJFSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309476327 387807889 /nfs/dbraw/zinc/80/78/89/387807889.db2.gz SBCMKTQBPGEWDQ-OPRDCNLKSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(CCC[NH3+])C(=O)CCOC1CNC1 ZINC000309477015 411497315 /nfs/dbraw/zinc/49/73/15/411497315.db2.gz SEMFDMIRKJTBBG-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO CNCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000309479507 173325990 /nfs/dbraw/zinc/32/59/90/173325990.db2.gz DCILVDMTNZTCMR-LLVKDONJSA-N 1 3 211.309 -0.192 20 0 BBADHO CNCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000309479508 173326659 /nfs/dbraw/zinc/32/66/59/173326659.db2.gz DCILVDMTNZTCMR-NSHDSACASA-N 1 3 211.309 -0.192 20 0 BBADHO C[N@@H+](C[C@H](O)CNCC1(CO)CC1)C1CC1 ZINC000309483485 411499110 /nfs/dbraw/zinc/49/91/10/411499110.db2.gz WKTJVKHWVGSBFU-LLVKDONJSA-N 1 3 228.336 -0.196 20 0 BBADHO C[N@H+](C[C@H](O)CNCC1(CO)CC1)C1CC1 ZINC000309483485 411499109 /nfs/dbraw/zinc/49/91/09/411499109.db2.gz WKTJVKHWVGSBFU-LLVKDONJSA-N 1 3 228.336 -0.196 20 0 BBADHO C[N@@H+](C[C@@H](O)CNCC1(CO)CC1)C1CC1 ZINC000309483489 411499155 /nfs/dbraw/zinc/49/91/55/411499155.db2.gz WKTJVKHWVGSBFU-NSHDSACASA-N 1 3 228.336 -0.196 20 0 BBADHO C[N@H+](C[C@@H](O)CNCC1(CO)CC1)C1CC1 ZINC000309483489 411499152 /nfs/dbraw/zinc/49/91/52/411499152.db2.gz WKTJVKHWVGSBFU-NSHDSACASA-N 1 3 228.336 -0.196 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000309484584 385610072 /nfs/dbraw/zinc/61/00/72/385610072.db2.gz FTOKGLPMGIQUIB-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000309484585 385610969 /nfs/dbraw/zinc/61/09/69/385610969.db2.gz FTOKGLPMGIQUIB-UWVGGRQHSA-N 1 3 211.309 -0.051 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000309484586 385610050 /nfs/dbraw/zinc/61/00/50/385610050.db2.gz FTOKGLPMGIQUIB-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000309484587 385611656 /nfs/dbraw/zinc/61/16/56/385611656.db2.gz FTOKGLPMGIQUIB-ZJUUUORDSA-N 1 3 211.309 -0.051 20 0 BBADHO CN1CC[C@@](O)(C[NH2+]C2CCN(C)CC2)C1 ZINC000309485464 385614189 /nfs/dbraw/zinc/61/41/89/385614189.db2.gz VFUZOCZXJGCMEA-GFCCVEGCSA-N 1 3 227.352 -0.263 20 0 BBADHO CN1CC[C@](O)(C[NH2+]C2CCN(C)CC2)C1 ZINC000309485465 385612924 /nfs/dbraw/zinc/61/29/24/385612924.db2.gz VFUZOCZXJGCMEA-LBPRGKRZSA-N 1 3 227.352 -0.263 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309493112 259375811 /nfs/dbraw/zinc/37/58/11/259375811.db2.gz SPXMOYNIPHHVTR-BDAKNGLRSA-N 1 3 231.365 -0.065 20 0 BBADHO CSCC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309493117 387809210 /nfs/dbraw/zinc/80/92/10/387809210.db2.gz SPXMOYNIPHHVTR-DTWKUNHWSA-N 1 3 231.365 -0.065 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309493120 259343223 /nfs/dbraw/zinc/34/32/23/259343223.db2.gz SPXMOYNIPHHVTR-IUCAKERBSA-N 1 3 231.365 -0.065 20 0 BBADHO CC[C@@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000309498260 487889241 /nfs/dbraw/zinc/88/92/41/487889241.db2.gz UHFCBBYOQRRGBN-DJLDLDEBSA-N 1 3 215.297 -0.702 20 0 BBADHO CC[C@@H](N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000309498263 487888866 /nfs/dbraw/zinc/88/88/66/487888866.db2.gz UHFCBBYOQRRGBN-HLTSFMKQSA-N 1 3 215.297 -0.702 20 0 BBADHO CC[C@@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000309498266 487888925 /nfs/dbraw/zinc/88/89/25/487888925.db2.gz UHFCBBYOQRRGBN-IWSPIJDZSA-N 1 3 215.297 -0.702 20 0 BBADHO CC[C@@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000309498268 487889166 /nfs/dbraw/zinc/88/91/66/487889166.db2.gz UHFCBBYOQRRGBN-YIZRAAEISA-N 1 3 215.297 -0.702 20 0 BBADHO C[C@H]1NCCN(C(=O)COCC[NH3+])[C@H]1C ZINC000309500151 411151149 /nfs/dbraw/zinc/15/11/49/411151149.db2.gz URZRAJHNLAUWNR-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)COCC[NH3+] ZINC000309500153 411151159 /nfs/dbraw/zinc/15/11/59/411151159.db2.gz URZRAJHNLAUWNR-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H]1NCCN(C(=O)COCC[NH3+])[C@H]1C ZINC000309500154 411151206 /nfs/dbraw/zinc/15/12/06/411151206.db2.gz URZRAJHNLAUWNR-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H]1NCCN(C(=O)COCC[NH3+])[C@@H]1C ZINC000309500155 487887392 /nfs/dbraw/zinc/88/73/92/487887392.db2.gz URZRAJHNLAUWNR-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000309500243 350614267 /nfs/dbraw/zinc/61/42/67/350614267.db2.gz UTJYLZGDRMJMNZ-BDAKNGLRSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000309500244 350614001 /nfs/dbraw/zinc/61/40/01/350614001.db2.gz UTJYLZGDRMJMNZ-DTWKUNHWSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000309500246 350614122 /nfs/dbraw/zinc/61/41/22/350614122.db2.gz UTJYLZGDRMJMNZ-IUCAKERBSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000309500248 350613976 /nfs/dbraw/zinc/61/39/76/350613976.db2.gz UTJYLZGDRMJMNZ-RKDXNWHRSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H](NC(=O)C1(N)CC1)[C@H]1CCC[NH2+]C1 ZINC000309501285 350615131 /nfs/dbraw/zinc/61/51/31/350615131.db2.gz VAHBJWVWFDNLJN-BDAKNGLRSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@H](NC(=O)C1(N)CC1)[C@@H]1CCC[NH2+]C1 ZINC000309501287 350614732 /nfs/dbraw/zinc/61/47/32/350614732.db2.gz VAHBJWVWFDNLJN-DTWKUNHWSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@H](NC(=O)C1(N)CC1)[C@H]1CCC[NH2+]C1 ZINC000309501289 350614694 /nfs/dbraw/zinc/61/46/94/350614694.db2.gz VAHBJWVWFDNLJN-IUCAKERBSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@@H](NC(=O)C1(N)CC1)[C@@H]1CCC[NH2+]C1 ZINC000309501291 350614717 /nfs/dbraw/zinc/61/47/17/350614717.db2.gz VAHBJWVWFDNLJN-RKDXNWHRSA-N 1 3 211.309 -0.018 20 0 BBADHO O=C(NCC[NH2+]C1CC1)[C@]1(F)CCNC1 ZINC000309502050 182189603 /nfs/dbraw/zinc/18/96/03/182189603.db2.gz LXHMZGBXZYZYHF-JTQLQIEISA-N 1 3 215.272 -0.444 20 0 BBADHO O=C(NCC[NH2+]C1CC1)[C@@]1(F)CCNC1 ZINC000309502053 182189078 /nfs/dbraw/zinc/18/90/78/182189078.db2.gz LXHMZGBXZYZYHF-SNVBAGLBSA-N 1 3 215.272 -0.444 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CN)OC ZINC000309503302 323419682 /nfs/dbraw/zinc/41/96/82/323419682.db2.gz VGFWLXJILWISCX-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CN)OC ZINC000309503305 323419577 /nfs/dbraw/zinc/41/95/77/323419577.db2.gz VGFWLXJILWISCX-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CN)OC ZINC000309503307 323419774 /nfs/dbraw/zinc/41/97/74/323419774.db2.gz VGFWLXJILWISCX-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CN)OC ZINC000309503309 387812350 /nfs/dbraw/zinc/81/23/50/387812350.db2.gz VGFWLXJILWISCX-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309503915 411156240 /nfs/dbraw/zinc/15/62/40/411156240.db2.gz VJIJVTQCXRAXST-BDAKNGLRSA-N 1 3 211.309 -0.208 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309503916 411156081 /nfs/dbraw/zinc/15/60/81/411156081.db2.gz VJIJVTQCXRAXST-DTWKUNHWSA-N 1 3 211.309 -0.208 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309503918 411156165 /nfs/dbraw/zinc/15/61/65/411156165.db2.gz VJIJVTQCXRAXST-IUCAKERBSA-N 1 3 211.309 -0.208 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309503919 411156313 /nfs/dbraw/zinc/15/63/13/411156313.db2.gz VJIJVTQCXRAXST-RKDXNWHRSA-N 1 3 211.309 -0.208 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)C[C@H]1CSCCN1 ZINC000309505044 350679043 /nfs/dbraw/zinc/67/90/43/350679043.db2.gz VRFKGPQGCUCGGO-BDAKNGLRSA-N 1 3 231.365 -0.065 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)C[C@@H]1CSCCN1 ZINC000309505046 350679168 /nfs/dbraw/zinc/67/91/68/350679168.db2.gz VRFKGPQGCUCGGO-DTWKUNHWSA-N 1 3 231.365 -0.065 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)C[C@H]1CSCCN1 ZINC000309505048 350678744 /nfs/dbraw/zinc/67/87/44/350678744.db2.gz VRFKGPQGCUCGGO-IUCAKERBSA-N 1 3 231.365 -0.065 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)C[C@@H]1CSCCN1 ZINC000309505051 350678832 /nfs/dbraw/zinc/67/88/32/350678832.db2.gz VRFKGPQGCUCGGO-RKDXNWHRSA-N 1 3 231.365 -0.065 20 0 BBADHO CN(CCC[NH3+])C(=O)COC1(C)CNC1 ZINC000309507377 411155536 /nfs/dbraw/zinc/15/55/36/411155536.db2.gz WHMRKMQAXZOHRF-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309508066 410955885 /nfs/dbraw/zinc/95/58/85/410955885.db2.gz WLTWRQDJCRLDJP-BDAKNGLRSA-N 1 3 211.309 -0.162 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309508068 411155160 /nfs/dbraw/zinc/15/51/60/411155160.db2.gz WLTWRQDJCRLDJP-DTWKUNHWSA-N 1 3 211.309 -0.162 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309508070 411155123 /nfs/dbraw/zinc/15/51/23/411155123.db2.gz WLTWRQDJCRLDJP-IUCAKERBSA-N 1 3 211.309 -0.162 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309508071 411155133 /nfs/dbraw/zinc/15/51/33/411155133.db2.gz WLTWRQDJCRLDJP-RKDXNWHRSA-N 1 3 211.309 -0.162 20 0 BBADHO C[C@@H]1CN(C(=O)COCC[NH3+])C[C@H](C)N1 ZINC000309508401 411155235 /nfs/dbraw/zinc/15/52/35/411155235.db2.gz WMUUFHHKKBREBX-DTORHVGOSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H]1CN(C(=O)COCC[NH3+])C[C@H](C)N1 ZINC000309508402 411154806 /nfs/dbraw/zinc/15/48/06/411154806.db2.gz WMUUFHHKKBREBX-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H]1CN(C(=O)COCC[NH3+])C[C@@H](C)N1 ZINC000309508403 411155195 /nfs/dbraw/zinc/15/51/95/411155195.db2.gz WMUUFHHKKBREBX-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)C[C@H]1CNCCO1 ZINC000309508904 350685315 /nfs/dbraw/zinc/68/53/15/350685315.db2.gz WSMCDAFUMJRUKX-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1CNCCO1 ZINC000309508905 350685467 /nfs/dbraw/zinc/68/54/67/350685467.db2.gz WSMCDAFUMJRUKX-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1CNCCO1 ZINC000309508906 350685489 /nfs/dbraw/zinc/68/54/89/350685489.db2.gz WSMCDAFUMJRUKX-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1CNCCO1 ZINC000309508908 350685275 /nfs/dbraw/zinc/68/52/75/350685275.db2.gz WSMCDAFUMJRUKX-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO CCC[NH2+]CCNC(=O)C(N)C(F)(F)F ZINC000309509212 169259743 /nfs/dbraw/zinc/25/97/43/169259743.db2.gz WUUPXDSJOMYZLP-LURJTMIESA-N 1 3 227.230 -0.008 20 0 BBADHO CCC[NH2+]CCNC(=O)C(N)C(F)(F)F ZINC000309509213 169258402 /nfs/dbraw/zinc/25/84/02/169258402.db2.gz WUUPXDSJOMYZLP-ZCFIWIBFSA-N 1 3 227.230 -0.008 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309510012 170158094 /nfs/dbraw/zinc/15/80/94/170158094.db2.gz XBAIYLSHXJJUFP-PHDIDXHHSA-N 1 3 227.230 -0.010 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309510013 170157618 /nfs/dbraw/zinc/15/76/18/170157618.db2.gz XBAIYLSHXJJUFP-RITPCOANSA-N 1 3 227.230 -0.010 20 0 BBADHO CC1(CNC(=O)C2(N)CC2)CC[NH2+]CC1 ZINC000309511053 350685516 /nfs/dbraw/zinc/68/55/16/350685516.db2.gz XHQZZPCDOQHSLK-UHFFFAOYSA-N 1 3 211.309 -0.016 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C)CCCC[NH3+] ZINC000309511749 411157873 /nfs/dbraw/zinc/15/78/73/411157873.db2.gz XMSXUNFQYOIYQP-BDAKNGLRSA-N 1 3 217.313 -0.406 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309511750 411157511 /nfs/dbraw/zinc/15/75/11/411157511.db2.gz XMSXUNFQYOIYQP-DTWKUNHWSA-N 1 3 217.313 -0.406 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309511751 411157799 /nfs/dbraw/zinc/15/77/99/411157799.db2.gz XMSXUNFQYOIYQP-IUCAKERBSA-N 1 3 217.313 -0.406 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C)CCCC[NH3+] ZINC000309511752 411157849 /nfs/dbraw/zinc/15/78/49/411157849.db2.gz XMSXUNFQYOIYQP-RKDXNWHRSA-N 1 3 217.313 -0.406 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)COC1(C)CNC1 ZINC000309512599 343661684 /nfs/dbraw/zinc/66/16/84/343661684.db2.gz XVTNCFPGKKFMIY-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO CCCC[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309513110 169007842 /nfs/dbraw/zinc/00/78/42/169007842.db2.gz XXJBAGBVXRIFNM-QCLAVDOMSA-N 1 3 211.309 -0.162 20 0 BBADHO CCCC[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309513111 347090346 /nfs/dbraw/zinc/09/03/46/347090346.db2.gz XXJBAGBVXRIFNM-RGOKHQFPSA-N 1 3 211.309 -0.162 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000309514306 387815701 /nfs/dbraw/zinc/81/57/01/387815701.db2.gz YFUKBPKGNZQZQG-HRDYMLBCSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000309514307 387815744 /nfs/dbraw/zinc/81/57/44/387815744.db2.gz YFUKBPKGNZQZQG-IWSPIJDZSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000309514308 387815619 /nfs/dbraw/zinc/81/56/19/387815619.db2.gz YFUKBPKGNZQZQG-XHNCKOQMSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000309514309 387814941 /nfs/dbraw/zinc/81/49/41/387814941.db2.gz YFUKBPKGNZQZQG-YIZRAAEISA-N 1 3 215.297 -0.831 20 0 BBADHO C[C@@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000309514310 387813702 /nfs/dbraw/zinc/81/37/02/387813702.db2.gz YFXLNKDCUAKEET-MRVPVSSYSA-N 1 3 208.265 -0.043 20 0 BBADHO C[C@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000309514311 350694855 /nfs/dbraw/zinc/69/48/55/350694855.db2.gz YFXLNKDCUAKEET-QMMMGPOBSA-N 1 3 208.265 -0.043 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)CNCCOC)C1 ZINC000309514888 411157916 /nfs/dbraw/zinc/15/79/16/411157916.db2.gz RBQZABNUEKVROQ-SECBINFHSA-N 1 3 215.297 -0.957 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)CNCCOC)C1 ZINC000309514889 411157910 /nfs/dbraw/zinc/15/79/10/411157910.db2.gz RBQZABNUEKVROQ-VIFPVBQESA-N 1 3 215.297 -0.957 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)CNC2CC2)CC[NH2+]1 ZINC000309515212 350694834 /nfs/dbraw/zinc/69/48/34/350694834.db2.gz REMIDMJRVCJKOX-PSASIEDQSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)CNC2CC2)CC[NH2+]1 ZINC000309515214 350694966 /nfs/dbraw/zinc/69/49/66/350694966.db2.gz REMIDMJRVCJKOX-SCZZXKLOSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H]1C[C@H](NC(=O)CNC2CC2)CC[NH2+]1 ZINC000309515216 350694540 /nfs/dbraw/zinc/69/45/40/350694540.db2.gz REMIDMJRVCJKOX-WCBMZHEXSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)CNC2CC2)CC[NH2+]1 ZINC000309515218 350694577 /nfs/dbraw/zinc/69/45/77/350694577.db2.gz REMIDMJRVCJKOX-WPRPVWTQSA-N 1 3 211.309 -0.005 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000309516557 385650000 /nfs/dbraw/zinc/65/00/00/385650000.db2.gz YWKMEDPCFSTNAG-NTSWFWBYSA-N 1 3 225.214 -0.304 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000309516559 385649111 /nfs/dbraw/zinc/64/91/11/385649111.db2.gz YWKMEDPCFSTNAG-PHDIDXHHSA-N 1 3 225.214 -0.304 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000309516561 385649707 /nfs/dbraw/zinc/64/97/07/385649707.db2.gz YWKMEDPCFSTNAG-RITPCOANSA-N 1 3 225.214 -0.304 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000309516563 385649871 /nfs/dbraw/zinc/64/98/71/385649871.db2.gz YWKMEDPCFSTNAG-WDSKDSINSA-N 1 3 225.214 -0.304 20 0 BBADHO CC[NH2+]CCNC(=O)C[C@@H]1CNCCO1 ZINC000309518141 350697076 /nfs/dbraw/zinc/69/70/76/350697076.db2.gz SIHHRTHPWQLRCO-SECBINFHSA-N 1 3 215.297 -0.909 20 0 BBADHO CC[NH2+]CCNC(=O)C[C@H]1CNCCO1 ZINC000309518142 350697207 /nfs/dbraw/zinc/69/72/07/350697207.db2.gz SIHHRTHPWQLRCO-VIFPVBQESA-N 1 3 215.297 -0.909 20 0 BBADHO CN(C(=O)[C@@H]1NCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000309518171 410954951 /nfs/dbraw/zinc/95/49/51/410954951.db2.gz SITOZXCKGGQCOD-BDAKNGLRSA-N 1 3 211.309 -0.195 20 0 BBADHO CN(C(=O)[C@H]1NCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000309518173 411158781 /nfs/dbraw/zinc/15/87/81/411158781.db2.gz SITOZXCKGGQCOD-DTWKUNHWSA-N 1 3 211.309 -0.195 20 0 BBADHO CN(C(=O)[C@@H]1NCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000309518175 411158663 /nfs/dbraw/zinc/15/86/63/411158663.db2.gz SITOZXCKGGQCOD-IUCAKERBSA-N 1 3 211.309 -0.195 20 0 BBADHO CN(C(=O)[C@H]1NCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000309518176 411158404 /nfs/dbraw/zinc/15/84/04/411158404.db2.gz SITOZXCKGGQCOD-RKDXNWHRSA-N 1 3 211.309 -0.195 20 0 BBADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCCNCC1 ZINC000309518625 411159963 /nfs/dbraw/zinc/15/99/63/411159963.db2.gz SNPVCIZOGWHMFZ-SECBINFHSA-N 1 3 211.309 -0.194 20 0 BBADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCCNCC1 ZINC000309518626 411159933 /nfs/dbraw/zinc/15/99/33/411159933.db2.gz SNPVCIZOGWHMFZ-VIFPVBQESA-N 1 3 211.309 -0.194 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309518894 171397079 /nfs/dbraw/zinc/39/70/79/171397079.db2.gz ZMUBJRXPLHSDOZ-GENCIFFESA-N 1 3 211.309 -0.306 20 0 BBADHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309518898 171372280 /nfs/dbraw/zinc/37/22/80/171372280.db2.gz ZMUBJRXPLHSDOZ-SRQGCSHVSA-N 1 3 211.309 -0.306 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309518899 384116843 /nfs/dbraw/zinc/11/68/43/384116843.db2.gz ZMUBJRXPLHSDOZ-ZJDVBMNYSA-N 1 3 211.309 -0.306 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)CCOC1CNC1 ZINC000309519792 350695625 /nfs/dbraw/zinc/69/56/25/350695625.db2.gz ZRWFBXWDIDAWSD-MRVPVSSYSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)CCOC1CNC1 ZINC000309519794 350695677 /nfs/dbraw/zinc/69/56/77/350695677.db2.gz ZRWFBXWDIDAWSD-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO CC1(C)CNCCN1C(=O)C[NH2+]C1CC1 ZINC000309522599 487985139 /nfs/dbraw/zinc/98/51/39/487985139.db2.gz UIOVSGSLOIBCFL-UHFFFAOYSA-N 1 3 211.309 -0.051 20 0 BBADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCCNCC1 ZINC000309524595 487716818 /nfs/dbraw/zinc/71/68/18/487716818.db2.gz USWFEXOSKTYEEF-MYJAWHEDSA-N 1 3 209.293 -0.726 20 0 BBADHO NC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000309524875 387818582 /nfs/dbraw/zinc/81/85/82/387818582.db2.gz BQXZWVPNMQBNTD-DJLDLDEBSA-N 1 3 209.293 -0.327 20 0 BBADHO NC1(C(=O)N2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)CC1 ZINC000309524878 387818736 /nfs/dbraw/zinc/81/87/36/387818736.db2.gz BQXZWVPNMQBNTD-HRDYMLBCSA-N 1 3 209.293 -0.327 20 0 BBADHO NC1(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000309524882 387816594 /nfs/dbraw/zinc/81/65/94/387816594.db2.gz BQXZWVPNMQBNTD-IWSPIJDZSA-N 1 3 209.293 -0.327 20 0 BBADHO NC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000309524884 323423296 /nfs/dbraw/zinc/42/32/96/323423296.db2.gz BQXZWVPNMQBNTD-XHNCKOQMSA-N 1 3 209.293 -0.327 20 0 BBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCCN1 ZINC000309528083 182345902 /nfs/dbraw/zinc/34/59/02/182345902.db2.gz BIJUQLLKCQMCLE-QCLAVDOMSA-N 1 3 209.293 -0.538 20 0 BBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCCN1 ZINC000309528085 182345894 /nfs/dbraw/zinc/34/58/94/182345894.db2.gz BIJUQLLKCQMCLE-RGOKHQFPSA-N 1 3 209.293 -0.538 20 0 BBADHO [NH3+]CCOCCN1CCNC[C@@H]1C(F)F ZINC000309531496 387816633 /nfs/dbraw/zinc/81/66/33/387816633.db2.gz DLBAEDJZOPVWBO-MRVPVSSYSA-N 1 3 223.267 -0.499 20 0 BBADHO [NH3+]CCOCCN1CCNC[C@H]1C(F)F ZINC000309531504 387817326 /nfs/dbraw/zinc/81/73/26/387817326.db2.gz DLBAEDJZOPVWBO-QMMMGPOBSA-N 1 3 223.267 -0.499 20 0 BBADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309539836 411166088 /nfs/dbraw/zinc/16/60/88/411166088.db2.gz GFQMHQVBSHUBQK-QXEWZRGKSA-N 1 3 211.309 -0.079 20 0 BBADHO [NH3+]C[C@@H](NC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000309539841 385673301 /nfs/dbraw/zinc/67/33/01/385673301.db2.gz GFRDVRVOJXKOKD-PSASIEDQSA-N 1 3 215.272 -0.459 20 0 BBADHO [NH3+]C[C@@H](NC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000309539845 385674137 /nfs/dbraw/zinc/67/41/37/385674137.db2.gz GFRDVRVOJXKOKD-SCZZXKLOSA-N 1 3 215.272 -0.459 20 0 BBADHO [NH3+]C[C@H](NC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000309539849 385674403 /nfs/dbraw/zinc/67/44/03/385674403.db2.gz GFRDVRVOJXKOKD-WCBMZHEXSA-N 1 3 215.272 -0.459 20 0 BBADHO [NH3+]C[C@H](NC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000309539853 385673949 /nfs/dbraw/zinc/67/39/49/385673949.db2.gz GFRDVRVOJXKOKD-WPRPVWTQSA-N 1 3 215.272 -0.459 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309540482 411166124 /nfs/dbraw/zinc/16/61/24/411166124.db2.gz GFQMHQVBSHUBQK-YWVKMMECSA-N 1 3 211.309 -0.079 20 0 BBADHO NC(C(=O)N[C@@H](C[NH3+])C1CC1)C(F)(F)F ZINC000309542941 383886693 /nfs/dbraw/zinc/88/66/93/383886693.db2.gz GVZHQIWLKDKIRO-NTSWFWBYSA-N 1 3 225.214 -0.271 20 0 BBADHO NC(C(=O)N[C@H](C[NH3+])C1CC1)C(F)(F)F ZINC000309542944 259376398 /nfs/dbraw/zinc/37/63/98/259376398.db2.gz GVZHQIWLKDKIRO-PHDIDXHHSA-N 1 3 225.214 -0.271 20 0 BBADHO CN(C(=O)CNC1CC1)C1CC[NH2+]CC1 ZINC000309543247 411169653 /nfs/dbraw/zinc/16/96/53/411169653.db2.gz YVKFUTPMXBRNNW-UHFFFAOYSA-N 1 3 211.309 -0.051 20 0 BBADHO NC(C(=O)N[C@H](C[NH3+])C1CC1)C(F)(F)F ZINC000309543404 383886626 /nfs/dbraw/zinc/88/66/26/383886626.db2.gz GVZHQIWLKDKIRO-RITPCOANSA-N 1 3 225.214 -0.271 20 0 BBADHO NC(C(=O)N[C@@H](C[NH3+])C1CC1)C(F)(F)F ZINC000309543405 383884950 /nfs/dbraw/zinc/88/49/50/383884950.db2.gz GVZHQIWLKDKIRO-WDSKDSINSA-N 1 3 225.214 -0.271 20 0 BBADHO NC1(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000309543492 370226667 /nfs/dbraw/zinc/22/66/67/370226667.db2.gz GYWIBJFFIBHDIK-SECBINFHSA-N 1 3 211.309 -0.016 20 0 BBADHO NC1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000309543494 370226578 /nfs/dbraw/zinc/22/65/78/370226578.db2.gz GYWIBJFFIBHDIK-VIFPVBQESA-N 1 3 211.309 -0.016 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000309545690 385679593 /nfs/dbraw/zinc/67/95/93/385679593.db2.gz ZSDNTZHJGBKNQY-PSASIEDQSA-N 1 3 215.272 -0.492 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000309545692 385678932 /nfs/dbraw/zinc/67/89/32/385678932.db2.gz ZSDNTZHJGBKNQY-SCZZXKLOSA-N 1 3 215.272 -0.492 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000309545695 385678557 /nfs/dbraw/zinc/67/85/57/385678557.db2.gz ZSDNTZHJGBKNQY-WCBMZHEXSA-N 1 3 215.272 -0.492 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000309545696 385680139 /nfs/dbraw/zinc/68/01/39/385680139.db2.gz ZSDNTZHJGBKNQY-WPRPVWTQSA-N 1 3 215.272 -0.492 20 0 BBADHO C[NH2+]CCCNC(=O)COC1(C)CNC1 ZINC000309546268 411169126 /nfs/dbraw/zinc/16/91/26/411169126.db2.gz BTHRCXWIMSIZOZ-UHFFFAOYSA-N 1 3 215.297 -0.909 20 0 BBADHO O=C(CNC1CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000309546280 326158512 /nfs/dbraw/zinc/15/85/12/326158512.db2.gz BTMXFSPLFAXLTO-SECBINFHSA-N 1 3 211.309 -0.146 20 0 BBADHO O=C(CNC1CC1)NC[C@H]1CCC[NH2+]C1 ZINC000309546282 326158609 /nfs/dbraw/zinc/15/86/09/326158609.db2.gz BTMXFSPLFAXLTO-VIFPVBQESA-N 1 3 211.309 -0.146 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)COC1CNC1 ZINC000309547935 323424733 /nfs/dbraw/zinc/42/47/33/323424733.db2.gz CJYFTTHRXDBLKF-MRVPVSSYSA-N 1 3 215.297 -0.911 20 0 BBADHO NCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000309551533 350748654 /nfs/dbraw/zinc/74/86/54/350748654.db2.gz KLMSOJFPXDALLD-UHFFFAOYSA-N 1 3 211.309 -0.063 20 0 BBADHO NCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000309552941 411171287 /nfs/dbraw/zinc/17/12/87/411171287.db2.gz KZZFIKPWWXJLAL-UHFFFAOYSA-N 1 3 206.249 -0.376 20 0 BBADHO OC[C@H](NC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309558747 632495908 /nfs/dbraw/zinc/49/59/08/632495908.db2.gz IOWKHLRNRIHLGI-NEPJUHHUSA-N 1 3 228.336 -0.196 20 0 BBADHO OC[C@@H](NC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309558750 632496507 /nfs/dbraw/zinc/49/65/07/632496507.db2.gz IOWKHLRNRIHLGI-NWDGAFQWSA-N 1 3 228.336 -0.196 20 0 BBADHO OC[C@H](NC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309558752 632494785 /nfs/dbraw/zinc/49/47/85/632494785.db2.gz IOWKHLRNRIHLGI-RYUDHWBXSA-N 1 3 228.336 -0.196 20 0 BBADHO OC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309558753 632496173 /nfs/dbraw/zinc/49/61/73/632496173.db2.gz IOWKHLRNRIHLGI-VXGBXAGGSA-N 1 3 228.336 -0.196 20 0 BBADHO CC[NH2+]CCNC(=O)CCOC1CNC1 ZINC000309558874 370229673 /nfs/dbraw/zinc/22/96/73/370229673.db2.gz IQSZQFWNFAYYDU-UHFFFAOYSA-N 1 3 215.297 -0.909 20 0 BBADHO NC(C(=O)NC[C@H]([NH3+])C1CC1)C(F)(F)F ZINC000309559414 350775237 /nfs/dbraw/zinc/77/52/37/350775237.db2.gz NTENKEQQXVCQOI-NTSWFWBYSA-N 1 3 225.214 -0.271 20 0 BBADHO NC(C(=O)NC[C@@H]([NH3+])C1CC1)C(F)(F)F ZINC000309559415 350775509 /nfs/dbraw/zinc/77/55/09/350775509.db2.gz NTENKEQQXVCQOI-PHDIDXHHSA-N 1 3 225.214 -0.271 20 0 BBADHO NC(C(=O)NC[C@@H]([NH3+])C1CC1)C(F)(F)F ZINC000309559416 350775702 /nfs/dbraw/zinc/77/57/02/350775702.db2.gz NTENKEQQXVCQOI-RITPCOANSA-N 1 3 225.214 -0.271 20 0 BBADHO NC(C(=O)NC[C@H]([NH3+])C1CC1)C(F)(F)F ZINC000309559417 350775654 /nfs/dbraw/zinc/77/56/54/350775654.db2.gz NTENKEQQXVCQOI-WDSKDSINSA-N 1 3 225.214 -0.271 20 0 BBADHO N[C@H](CC(F)F)C(=O)NCC[NH2+]C1CC1 ZINC000309562496 411175527 /nfs/dbraw/zinc/17/55/27/411175527.db2.gz PJNRVYMONQVNOS-SSDOTTSWSA-N 1 3 221.251 -0.163 20 0 BBADHO N[C@@H](CC(F)F)C(=O)NCC[NH2+]C1CC1 ZINC000309562497 411174694 /nfs/dbraw/zinc/17/46/94/411174694.db2.gz PJNRVYMONQVNOS-ZETCQYMHSA-N 1 3 221.251 -0.163 20 0 BBADHO N[C@H](CC(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309566682 370230827 /nfs/dbraw/zinc/23/08/27/370230827.db2.gz QXKRDVLHEWXESM-RNFRBKRXSA-N 1 3 221.251 -0.163 20 0 BBADHO N[C@@H](CC(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309566687 370230427 /nfs/dbraw/zinc/23/04/27/370230427.db2.gz QXKRDVLHEWXESM-RQJHMYQMSA-N 1 3 221.251 -0.163 20 0 BBADHO NCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000309581768 491120129 /nfs/dbraw/zinc/12/01/29/491120129.db2.gz SSVHZUKQPOCFCV-UHFFFAOYSA-N 1 3 205.261 -0.135 20 0 BBADHO NC1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000309583197 491120145 /nfs/dbraw/zinc/12/01/45/491120145.db2.gz UGFROGFRMDDHQU-BDAKNGLRSA-N 1 3 209.293 -0.312 20 0 BBADHO NC1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000309583198 491120148 /nfs/dbraw/zinc/12/01/48/491120148.db2.gz UGFROGFRMDDHQU-DTWKUNHWSA-N 1 3 209.293 -0.312 20 0 BBADHO NC1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000309583199 490358430 /nfs/dbraw/zinc/35/84/30/490358430.db2.gz UGFROGFRMDDHQU-IUCAKERBSA-N 1 3 209.293 -0.312 20 0 BBADHO NC1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000309583200 490358066 /nfs/dbraw/zinc/35/80/66/490358066.db2.gz UGFROGFRMDDHQU-RKDXNWHRSA-N 1 3 209.293 -0.312 20 0 BBADHO [NH3+]C[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000309583551 370233155 /nfs/dbraw/zinc/23/31/55/370233155.db2.gz UKWYNEDFLOABEZ-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000309583552 370233215 /nfs/dbraw/zinc/23/32/15/370233215.db2.gz UKWYNEDFLOABEZ-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO NC(C(=O)NC1CC[NH2+]CC1)C(F)(F)F ZINC000309587519 326160212 /nfs/dbraw/zinc/16/02/12/326160212.db2.gz WNXKKIVHTHSHQJ-LURJTMIESA-N 1 3 225.214 -0.256 20 0 BBADHO NC(C(=O)NC1CC[NH2+]CC1)C(F)(F)F ZINC000309587520 326160094 /nfs/dbraw/zinc/16/00/94/326160094.db2.gz WNXKKIVHTHSHQJ-ZCFIWIBFSA-N 1 3 225.214 -0.256 20 0 BBADHO NC1(C(=O)NCC2C[NH2+]C2)CCCCC1 ZINC000309587676 490358417 /nfs/dbraw/zinc/35/84/17/490358417.db2.gz WTIVFHGUVQUYQN-UHFFFAOYSA-N 1 3 211.309 -0.016 20 0 BBADHO NC(C(=O)N1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000309588520 385715116 /nfs/dbraw/zinc/71/51/16/385715116.db2.gz XORWUJYXSJFMLQ-PHDIDXHHSA-N 1 3 225.214 -0.174 20 0 BBADHO NC(C(=O)N1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000309588521 385714945 /nfs/dbraw/zinc/71/49/45/385714945.db2.gz XORWUJYXSJFMLQ-RITPCOANSA-N 1 3 225.214 -0.174 20 0 BBADHO [NH3+][C@H](CNC(=O)[C@H]1CCCCN1)C1CC1 ZINC000309591376 342716127 /nfs/dbraw/zinc/71/61/27/342716127.db2.gz ZNYKJURKVMDTBP-NXEZZACHSA-N 1 3 211.309 -0.018 20 0 BBADHO CNCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309600864 173327988 /nfs/dbraw/zinc/32/79/88/173327988.db2.gz WMANNCXGUNGZEI-LLVKDONJSA-N 1 3 211.309 -0.192 20 0 BBADHO CNCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309600865 173328187 /nfs/dbraw/zinc/32/81/87/173328187.db2.gz WMANNCXGUNGZEI-NSHDSACASA-N 1 3 211.309 -0.192 20 0 BBADHO C[C@H](C[NH3+])NC(=O)[C@H]1CNCCC1(F)F ZINC000309601645 411183166 /nfs/dbraw/zinc/18/31/66/411183166.db2.gz KFFNCSIIOPBPOF-RNFRBKRXSA-N 1 3 221.251 -0.305 20 0 BBADHO C[C@H](C[NH3+])NC(=O)[C@@H]1CNCCC1(F)F ZINC000309601646 411183611 /nfs/dbraw/zinc/18/36/11/411183611.db2.gz KFFNCSIIOPBPOF-RQJHMYQMSA-N 1 3 221.251 -0.305 20 0 BBADHO NCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000309603955 633969366 /nfs/dbraw/zinc/96/93/66/633969366.db2.gz KSPMZWZPVJJFMY-UHFFFAOYSA-N 1 3 207.277 -0.237 20 0 BBADHO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000309604809 491120450 /nfs/dbraw/zinc/12/04/50/491120450.db2.gz KYKVACKVSYCBEE-NXEZZACHSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000309604810 491120464 /nfs/dbraw/zinc/12/04/64/491120464.db2.gz KYKVACKVSYCBEE-UWVGGRQHSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000309604811 491120462 /nfs/dbraw/zinc/12/04/62/491120462.db2.gz KYKVACKVSYCBEE-VHSXEESVSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000309604813 491120447 /nfs/dbraw/zinc/12/04/47/491120447.db2.gz KYKVACKVSYCBEE-ZJUUUORDSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000309611573 411185548 /nfs/dbraw/zinc/18/55/48/411185548.db2.gz MVPNRDWOJGYEJF-GXSJLCMTSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000309611578 411185561 /nfs/dbraw/zinc/18/55/61/411185561.db2.gz MVPNRDWOJGYEJF-KOLCDFICSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000309611582 175794872 /nfs/dbraw/zinc/79/48/72/175794872.db2.gz MVPNRDWOJGYEJF-MWLCHTKSSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000309611586 411185414 /nfs/dbraw/zinc/18/54/14/411185414.db2.gz MVPNRDWOJGYEJF-ONGXEEELSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000309616317 385743679 /nfs/dbraw/zinc/74/36/79/385743679.db2.gz NZISQIOLTNFYAK-AATLWQCWSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000309616324 385745236 /nfs/dbraw/zinc/74/52/36/385745236.db2.gz NZISQIOLTNFYAK-AXTSPUMRSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000309616329 385744000 /nfs/dbraw/zinc/74/40/00/385744000.db2.gz NZISQIOLTNFYAK-QEYWKRMJSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000309616333 385744624 /nfs/dbraw/zinc/74/46/24/385744624.db2.gz NZISQIOLTNFYAK-XKNYDFJKSA-N 1 3 211.309 -0.081 20 0 BBADHO O=C(CNC1CC1)NCC[C@H]1CC[NH2+]C1 ZINC000309619219 342753531 /nfs/dbraw/zinc/75/35/31/342753531.db2.gz GLMHAWUBPHTPID-SECBINFHSA-N 1 3 211.309 -0.146 20 0 BBADHO O=C(CNC1CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000309619220 342753568 /nfs/dbraw/zinc/75/35/68/342753568.db2.gz GLMHAWUBPHTPID-VIFPVBQESA-N 1 3 211.309 -0.146 20 0 BBADHO NCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000309621478 181350280 /nfs/dbraw/zinc/35/02/80/181350280.db2.gz PEUBONRVNLITSB-NXEZZACHSA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000309621484 181349814 /nfs/dbraw/zinc/34/98/14/181349814.db2.gz PEUBONRVNLITSB-UWVGGRQHSA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000309621492 181350315 /nfs/dbraw/zinc/35/03/15/181350315.db2.gz PEUBONRVNLITSB-VHSXEESVSA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000309622002 181349312 /nfs/dbraw/zinc/34/93/12/181349312.db2.gz PEUBONRVNLITSB-ZJUUUORDSA-N 1 3 211.309 -0.064 20 0 BBADHO C[NH2+]CCCNC(=O)C[C@@H]1CNCCO1 ZINC000309629196 358950102 /nfs/dbraw/zinc/95/01/02/358950102.db2.gz JZDYQAMQOHVJFB-SECBINFHSA-N 1 3 215.297 -0.909 20 0 BBADHO C[NH2+]CCCNC(=O)C[C@H]1CNCCO1 ZINC000309629200 358950172 /nfs/dbraw/zinc/95/01/72/358950172.db2.gz JZDYQAMQOHVJFB-VIFPVBQESA-N 1 3 215.297 -0.909 20 0 BBADHO CC[NH2+]CCCNC(=O)COC1CNC1 ZINC000309635123 387953064 /nfs/dbraw/zinc/95/30/64/387953064.db2.gz MBNDNFSGNJATGG-UHFFFAOYSA-N 1 3 215.297 -0.909 20 0 BBADHO C[NH2+]CCN(C)C(=O)CCOC1CNC1 ZINC000309643121 342775087 /nfs/dbraw/zinc/77/50/87/342775087.db2.gz PFYDGZLGKBCAAV-UHFFFAOYSA-N 1 3 215.297 -0.957 20 0 BBADHO [NH3+]CCCNC(=O)[C@H]1CNCCC1(F)F ZINC000309644093 488010918 /nfs/dbraw/zinc/01/09/18/488010918.db2.gz VLZRYZLJDFLUMP-SSDOTTSWSA-N 1 3 221.251 -0.304 20 0 BBADHO [NH3+]CCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000309644095 488011113 /nfs/dbraw/zinc/01/11/13/488011113.db2.gz VLZRYZLJDFLUMP-ZETCQYMHSA-N 1 3 221.251 -0.304 20 0 BBADHO C[NH2+]CCNC(=O)[C@H]1CNCCC1(F)F ZINC000309650717 488010850 /nfs/dbraw/zinc/01/08/50/488010850.db2.gz SPJKIQGIOBPULY-SSDOTTSWSA-N 1 3 221.251 -0.433 20 0 BBADHO C[NH2+]CCNC(=O)[C@@H]1CNCCC1(F)F ZINC000309650718 488010634 /nfs/dbraw/zinc/01/06/34/488010634.db2.gz SPJKIQGIOBPULY-ZETCQYMHSA-N 1 3 221.251 -0.433 20 0 BBADHO C[NH2+]CCCNC(=O)CCOC1CNC1 ZINC000309657211 342776781 /nfs/dbraw/zinc/77/67/81/342776781.db2.gz WKPFOJVUWLZTTB-UHFFFAOYSA-N 1 3 215.297 -0.909 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309745544 342846599 /nfs/dbraw/zinc/84/65/99/342846599.db2.gz FLAMNATWFXBCIY-DTWKUNHWSA-N 1 3 215.297 -0.844 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309745545 342846579 /nfs/dbraw/zinc/84/65/79/342846579.db2.gz FLAMNATWFXBCIY-RKDXNWHRSA-N 1 3 215.297 -0.844 20 0 BBADHO COC[C@]1(CNC(=O)[C@H](C)N)CCC[NH2+]1 ZINC000309767023 370257116 /nfs/dbraw/zinc/25/71/16/370257116.db2.gz JPVPWRCMIOQVDI-WCBMZHEXSA-N 1 3 215.297 -0.782 20 0 BBADHO COC[C@@]1(CNC(=O)[C@H](C)N)CCC[NH2+]1 ZINC000309767024 370256947 /nfs/dbraw/zinc/25/69/47/370256947.db2.gz JPVPWRCMIOQVDI-WPRPVWTQSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H]1CN(C(=O)COCC[NH3+])[C@@H](C)CN1 ZINC000309771440 411230810 /nfs/dbraw/zinc/23/08/10/411230810.db2.gz KNZWJYPDXLSPAJ-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)COCC[NH3+] ZINC000309771441 411230989 /nfs/dbraw/zinc/23/09/89/411230989.db2.gz KNZWJYPDXLSPAJ-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H]1CN(C(=O)COCC[NH3+])[C@@H](C)CN1 ZINC000309771442 411230824 /nfs/dbraw/zinc/23/08/24/411230824.db2.gz KNZWJYPDXLSPAJ-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H]1CN(C(=O)COCC[NH3+])[C@H](C)CN1 ZINC000309771443 411230721 /nfs/dbraw/zinc/23/07/21/411230721.db2.gz KNZWJYPDXLSPAJ-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)CNC[C@@H]1CCCO1 ZINC000309771788 411231121 /nfs/dbraw/zinc/23/11/21/411231121.db2.gz KQMQRXSZZCQWME-BDAKNGLRSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@H]([NH3+])CNC(=O)CNC[C@H]1CCCO1 ZINC000309771789 411231025 /nfs/dbraw/zinc/23/10/25/411231025.db2.gz KQMQRXSZZCQWME-DTWKUNHWSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@H]([NH3+])CNC(=O)CNC[C@@H]1CCCO1 ZINC000309771790 411231013 /nfs/dbraw/zinc/23/10/13/411231013.db2.gz KQMQRXSZZCQWME-IUCAKERBSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)CNC[C@H]1CCCO1 ZINC000309771791 411230957 /nfs/dbraw/zinc/23/09/57/411230957.db2.gz KQMQRXSZZCQWME-RKDXNWHRSA-N 1 3 215.297 -0.782 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)CCSC)C1 ZINC000309782733 342898223 /nfs/dbraw/zinc/89/82/23/342898223.db2.gz NHDQDQWALKPPEF-BDAKNGLRSA-N 1 3 231.365 -0.113 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](N)CCSC)C1 ZINC000309782734 342898356 /nfs/dbraw/zinc/89/83/56/342898356.db2.gz NHDQDQWALKPPEF-IUCAKERBSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CNC1CC1 ZINC000309792717 259377609 /nfs/dbraw/zinc/37/76/09/259377609.db2.gz PPAYCBJDYAZHBU-BDAKNGLRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CNC1CC1 ZINC000309792720 259377558 /nfs/dbraw/zinc/37/75/58/259377558.db2.gz PPAYCBJDYAZHBU-DTWKUNHWSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CNC1CC1 ZINC000309792722 259377532 /nfs/dbraw/zinc/37/75/32/259377532.db2.gz PPAYCBJDYAZHBU-IUCAKERBSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CNC1CC1 ZINC000309792724 259377612 /nfs/dbraw/zinc/37/76/12/259377612.db2.gz PPAYCBJDYAZHBU-RKDXNWHRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)COC1(C)CNC1 ZINC000309817348 411258764 /nfs/dbraw/zinc/25/87/64/411258764.db2.gz VNFXNCHWPHWSCU-MRVPVSSYSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)COC1(C)CNC1 ZINC000309817350 411258814 /nfs/dbraw/zinc/25/88/14/411258814.db2.gz VNFXNCHWPHWSCU-QMMMGPOBSA-N 1 3 215.297 -0.830 20 0 BBADHO CCC[NH2+]CCNC(=O)[C@]1(F)CCNC1 ZINC000309847117 169259149 /nfs/dbraw/zinc/25/91/49/169259149.db2.gz UZADWCSPRFWDRF-JTQLQIEISA-N 1 3 217.288 -0.196 20 0 BBADHO CCC[NH2+]CCNC(=O)[C@@]1(F)CCNC1 ZINC000309847120 169259030 /nfs/dbraw/zinc/25/90/30/169259030.db2.gz UZADWCSPRFWDRF-SNVBAGLBSA-N 1 3 217.288 -0.196 20 0 BBADHO CNC(=O)C[C@H](C)[NH2+]CCOCCN(C)C ZINC000309940993 173281753 /nfs/dbraw/zinc/28/17/53/173281753.db2.gz BQCCFQXCUHTKIR-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO CNC(=O)C[C@@H](C)[NH2+]CCOCCN(C)C ZINC000309940997 386344389 /nfs/dbraw/zinc/34/43/89/386344389.db2.gz BQCCFQXCUHTKIR-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](O)CN(C)C)C1 ZINC000309962950 170038565 /nfs/dbraw/zinc/03/85/65/170038565.db2.gz MFQGMHQGBPJZON-QJPTWQEYSA-N 1 3 229.368 -0.161 20 0 BBADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@H](O)CN(C)C)C1 ZINC000309962951 170038866 /nfs/dbraw/zinc/03/88/66/170038866.db2.gz MFQGMHQGBPJZON-SDDRHHMPSA-N 1 3 229.368 -0.161 20 0 BBADHO CCN1C[C@H]([NH2+]C[C@H](O)CN(C)C)[C@@H](C)C1 ZINC000309962952 170035204 /nfs/dbraw/zinc/03/52/04/170035204.db2.gz MFQGMHQGBPJZON-SRVKXCTJSA-N 1 3 229.368 -0.161 20 0 BBADHO CCN1C[C@H]([NH2+]C[C@@H](O)CN(C)C)[C@@H](C)C1 ZINC000309963259 170035692 /nfs/dbraw/zinc/03/56/92/170035692.db2.gz MFQGMHQGBPJZON-TUAOUCFPSA-N 1 3 229.368 -0.161 20 0 BBADHO CN(C(=O)COCC[NH3+])[C@@H]1CN2CCC1CC2 ZINC000310079666 386077620 /nfs/dbraw/zinc/07/76/20/386077620.db2.gz CGLPTJFVKMTMDF-LLVKDONJSA-N 1 3 241.335 -0.486 20 0 BBADHO CN(C(=O)COCC[NH3+])[C@H]1CN2CCC1CC2 ZINC000310079667 386078509 /nfs/dbraw/zinc/07/85/09/386078509.db2.gz CGLPTJFVKMTMDF-NSHDSACASA-N 1 3 241.335 -0.486 20 0 BBADHO COC[C@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000310285638 370332705 /nfs/dbraw/zinc/33/27/05/370332705.db2.gz QMHUPIDOCFJUDJ-NEPJUHHUSA-N 1 3 246.351 -0.572 20 0 BBADHO COC[C@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000310285638 370332701 /nfs/dbraw/zinc/33/27/01/370332701.db2.gz QMHUPIDOCFJUDJ-NEPJUHHUSA-N 1 3 246.351 -0.572 20 0 BBADHO COC[C@@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310285639 370333415 /nfs/dbraw/zinc/33/34/15/370333415.db2.gz QMHUPIDOCFJUDJ-NWDGAFQWSA-N 1 3 246.351 -0.572 20 0 BBADHO COC[C@@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000310285639 370333411 /nfs/dbraw/zinc/33/34/11/370333411.db2.gz QMHUPIDOCFJUDJ-NWDGAFQWSA-N 1 3 246.351 -0.572 20 0 BBADHO COC[C@@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000310285640 370333323 /nfs/dbraw/zinc/33/33/23/370333323.db2.gz QMHUPIDOCFJUDJ-RYUDHWBXSA-N 1 3 246.351 -0.572 20 0 BBADHO COC[C@@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000310285640 370333317 /nfs/dbraw/zinc/33/33/17/370333317.db2.gz QMHUPIDOCFJUDJ-RYUDHWBXSA-N 1 3 246.351 -0.572 20 0 BBADHO COC[C@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310285641 370333380 /nfs/dbraw/zinc/33/33/80/370333380.db2.gz QMHUPIDOCFJUDJ-VXGBXAGGSA-N 1 3 246.351 -0.572 20 0 BBADHO COC[C@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000310285641 370333374 /nfs/dbraw/zinc/33/33/74/370333374.db2.gz QMHUPIDOCFJUDJ-VXGBXAGGSA-N 1 3 246.351 -0.572 20 0 BBADHO CN(C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000310334956 491161099 /nfs/dbraw/zinc/16/10/99/491161099.db2.gz CMIUJMGNXXWESZ-GVXVVHGQSA-N 1 3 239.363 -0.407 20 0 BBADHO CN(C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000310334959 491161102 /nfs/dbraw/zinc/16/11/02/491161102.db2.gz CMIUJMGNXXWESZ-LOWVWBTDSA-N 1 3 239.363 -0.407 20 0 BBADHO CN(C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000310334962 491161083 /nfs/dbraw/zinc/16/10/83/491161083.db2.gz CMIUJMGNXXWESZ-NTZNESFSSA-N 1 3 239.363 -0.407 20 0 BBADHO CN(C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000310334965 491161088 /nfs/dbraw/zinc/16/10/88/491161088.db2.gz CMIUJMGNXXWESZ-WZRBSPASSA-N 1 3 239.363 -0.407 20 0 BBADHO CN(CCc1cn[nH]c1)CCN1CC[NH2+]CC1 ZINC000310366120 386180032 /nfs/dbraw/zinc/18/00/32/386180032.db2.gz VOHKTKZYQXZULS-UHFFFAOYSA-N 1 3 237.351 -0.211 20 0 BBADHO CN1CC[NH+]=C1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000310421029 187392917 /nfs/dbraw/zinc/39/29/17/187392917.db2.gz OMCNRNFSHHJEPV-GHMZBOCLSA-N 1 3 238.335 -0.259 20 0 BBADHO CN1CC[NH+]=C1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000310421067 387537929 /nfs/dbraw/zinc/53/79/29/387537929.db2.gz OMCNRNFSHHJEPV-MNOVXSKESA-N 1 3 238.335 -0.259 20 0 BBADHO CN1CC[NH+]=C1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000310421069 187392355 /nfs/dbraw/zinc/39/23/55/187392355.db2.gz OMCNRNFSHHJEPV-QWRGUYRKSA-N 1 3 238.335 -0.259 20 0 BBADHO CN1CC[NH+]=C1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000310421071 387537890 /nfs/dbraw/zinc/53/78/90/387537890.db2.gz OMCNRNFSHHJEPV-WDEREUQCSA-N 1 3 238.335 -0.259 20 0 BBADHO COC[C@@]1(C(=O)N2CCCNCC2)CC[NH2+]C1 ZINC000310448522 323131854 /nfs/dbraw/zinc/13/18/54/323131854.db2.gz RTKBQEHIBCBXNP-GFCCVEGCSA-N 1 3 241.335 -0.566 20 0 BBADHO COC[C@]1(C(=O)N2CCCNCC2)CC[NH2+]C1 ZINC000310448523 323131820 /nfs/dbraw/zinc/13/18/20/323131820.db2.gz RTKBQEHIBCBXNP-LBPRGKRZSA-N 1 3 241.335 -0.566 20 0 BBADHO NC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310570585 343537021 /nfs/dbraw/zinc/53/70/21/343537021.db2.gz NUROXNPVVKTZGC-DTORHVGOSA-N 1 3 240.307 -0.887 20 0 BBADHO c1cnn(CCN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000311038493 259345020 /nfs/dbraw/zinc/34/50/20/259345020.db2.gz YUPPQFLLEXPVNQ-CYBMUJFWSA-N 1 3 249.362 -0.137 20 0 BBADHO c1cnn(CCN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000311038494 259345079 /nfs/dbraw/zinc/34/50/79/259345079.db2.gz YUPPQFLLEXPVNQ-ZDUSSCGKSA-N 1 3 249.362 -0.137 20 0 BBADHO CC[C@H](O)C[N@H+]1CCCO[C@@H](CN)C1 ZINC000313363481 641561169 /nfs/dbraw/zinc/56/11/69/641561169.db2.gz YTQHVLBRMJIJMB-UWVGGRQHSA-N 1 3 202.298 -0.193 20 0 BBADHO CC[C@H](O)C[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313363481 641561162 /nfs/dbraw/zinc/56/11/62/641561162.db2.gz YTQHVLBRMJIJMB-UWVGGRQHSA-N 1 3 202.298 -0.193 20 0 BBADHO CC[C@H](O)C[N@H+]1CCCO[C@H](CN)C1 ZINC000313363484 641560814 /nfs/dbraw/zinc/56/08/14/641560814.db2.gz YTQHVLBRMJIJMB-VHSXEESVSA-N 1 3 202.298 -0.193 20 0 BBADHO CC[C@H](O)C[N@@H+]1CCCO[C@H](CN)C1 ZINC000313363484 641560813 /nfs/dbraw/zinc/56/08/13/641560813.db2.gz YTQHVLBRMJIJMB-VHSXEESVSA-N 1 3 202.298 -0.193 20 0 BBADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCC[C@H]1O)C1CC1 ZINC000323794083 348615191 /nfs/dbraw/zinc/61/51/91/348615191.db2.gz DJZXTAWNUHSTAQ-IJLUTSLNSA-N 1 3 228.336 -0.056 20 0 BBADHO C[N@H+](C[C@H](O)CN[C@@H]1CCC[C@H]1O)C1CC1 ZINC000323794083 348615187 /nfs/dbraw/zinc/61/51/87/348615187.db2.gz DJZXTAWNUHSTAQ-IJLUTSLNSA-N 1 3 228.336 -0.056 20 0 BBADHO C[N@@H+](C[C@H](O)CN[C@H]1CCC[C@@H]1O)C1CC1 ZINC000323794085 398013281 /nfs/dbraw/zinc/01/32/81/398013281.db2.gz DJZXTAWNUHSTAQ-WOPDTQHZSA-N 1 3 228.336 -0.056 20 0 BBADHO C[N@H+](C[C@H](O)CN[C@H]1CCC[C@@H]1O)C1CC1 ZINC000323794085 398013276 /nfs/dbraw/zinc/01/32/76/398013276.db2.gz DJZXTAWNUHSTAQ-WOPDTQHZSA-N 1 3 228.336 -0.056 20 0 BBADHO O[C@H](CN[C@@H]1CCC[C@H]1O)C[NH+]1CCCC1 ZINC000323902959 388091935 /nfs/dbraw/zinc/09/19/35/388091935.db2.gz YUTRPSIEBGYRRO-IJLUTSLNSA-N 1 3 228.336 -0.054 20 0 BBADHO O[C@H](CN[C@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000323902972 388092281 /nfs/dbraw/zinc/09/22/81/388092281.db2.gz YUTRPSIEBGYRRO-WOPDTQHZSA-N 1 3 228.336 -0.054 20 0 BBADHO C[N@@H+](C[C@H](O)CN)C[C@@H]1CCCC[C@@H]1O ZINC000328388025 350399894 /nfs/dbraw/zinc/39/98/94/350399894.db2.gz XANHWVPGAJIGSM-AXFHLTTASA-N 1 3 216.325 -0.211 20 0 BBADHO C[N@H+](C[C@H](O)CN)C[C@@H]1CCCC[C@@H]1O ZINC000328388025 350399893 /nfs/dbraw/zinc/39/98/93/350399893.db2.gz XANHWVPGAJIGSM-AXFHLTTASA-N 1 3 216.325 -0.211 20 0 BBADHO CN(C[C@H](O)C[NH3+])C[C@@H]1CCCC[C@@H]1O ZINC000328388025 350399892 /nfs/dbraw/zinc/39/98/92/350399892.db2.gz XANHWVPGAJIGSM-AXFHLTTASA-N 1 3 216.325 -0.211 20 0 BBADHO C[N@@H+](C[C@H](O)CN)C[C@H]1CCCC[C@H]1O ZINC000328388029 350400096 /nfs/dbraw/zinc/40/00/96/350400096.db2.gz XANHWVPGAJIGSM-GMTAPVOTSA-N 1 3 216.325 -0.211 20 0 BBADHO C[N@H+](C[C@H](O)CN)C[C@H]1CCCC[C@H]1O ZINC000328388029 350400092 /nfs/dbraw/zinc/40/00/92/350400092.db2.gz XANHWVPGAJIGSM-GMTAPVOTSA-N 1 3 216.325 -0.211 20 0 BBADHO CN(C[C@H](O)C[NH3+])C[C@H]1CCCC[C@H]1O ZINC000328388029 350400090 /nfs/dbraw/zinc/40/00/90/350400090.db2.gz XANHWVPGAJIGSM-GMTAPVOTSA-N 1 3 216.325 -0.211 20 0 BBADHO C[N@@H+](C[C@H](O)CN)C[C@@H]1CCCC[C@H]1O ZINC000328388031 350399908 /nfs/dbraw/zinc/39/99/08/350399908.db2.gz XANHWVPGAJIGSM-HBNTYKKESA-N 1 3 216.325 -0.211 20 0 BBADHO C[N@H+](C[C@H](O)CN)C[C@@H]1CCCC[C@H]1O ZINC000328388031 350399907 /nfs/dbraw/zinc/39/99/07/350399907.db2.gz XANHWVPGAJIGSM-HBNTYKKESA-N 1 3 216.325 -0.211 20 0 BBADHO CN(C[C@H](O)C[NH3+])C[C@@H]1CCCC[C@H]1O ZINC000328388031 350399906 /nfs/dbraw/zinc/39/99/06/350399906.db2.gz XANHWVPGAJIGSM-HBNTYKKESA-N 1 3 216.325 -0.211 20 0 BBADHO C[N@@H+](C[C@H](O)CN)C[C@H]1CCCC[C@@H]1O ZINC000328388034 350399978 /nfs/dbraw/zinc/39/99/78/350399978.db2.gz XANHWVPGAJIGSM-MXWKQRLJSA-N 1 3 216.325 -0.211 20 0 BBADHO C[N@H+](C[C@H](O)CN)C[C@H]1CCCC[C@@H]1O ZINC000328388034 350399974 /nfs/dbraw/zinc/39/99/74/350399974.db2.gz XANHWVPGAJIGSM-MXWKQRLJSA-N 1 3 216.325 -0.211 20 0 BBADHO CN(C[C@H](O)C[NH3+])C[C@H]1CCCC[C@@H]1O ZINC000328388034 350399972 /nfs/dbraw/zinc/39/99/72/350399972.db2.gz XANHWVPGAJIGSM-MXWKQRLJSA-N 1 3 216.325 -0.211 20 0 BBADHO Cn1cc(CNCC2(O)CC[NH+](C)CC2)cn1 ZINC000330675378 388443422 /nfs/dbraw/zinc/44/34/22/388443422.db2.gz SEACQICEZPBFAE-UHFFFAOYSA-N 1 3 238.335 -0.034 20 0 BBADHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000330765854 386881189 /nfs/dbraw/zinc/88/11/89/386881189.db2.gz UHSUTHISEQEDJZ-SECBINFHSA-N 1 3 242.323 -0.131 20 0 BBADHO CN(C)C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000330765854 386881186 /nfs/dbraw/zinc/88/11/86/386881186.db2.gz UHSUTHISEQEDJZ-SECBINFHSA-N 1 3 242.323 -0.131 20 0 BBADHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000330765855 386881061 /nfs/dbraw/zinc/88/10/61/386881061.db2.gz UHSUTHISEQEDJZ-VIFPVBQESA-N 1 3 242.323 -0.131 20 0 BBADHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000330765855 386881058 /nfs/dbraw/zinc/88/10/58/386881058.db2.gz UHSUTHISEQEDJZ-VIFPVBQESA-N 1 3 242.323 -0.131 20 0 BBADHO COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000330860076 386903810 /nfs/dbraw/zinc/90/38/10/386903810.db2.gz VSNFBWYVLXTACH-CMPLNLGQSA-N 1 3 244.335 -0.206 20 0 BBADHO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000330860076 386903808 /nfs/dbraw/zinc/90/38/08/386903808.db2.gz VSNFBWYVLXTACH-CMPLNLGQSA-N 1 3 244.335 -0.206 20 0 BBADHO COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000330860077 386903286 /nfs/dbraw/zinc/90/32/86/386903286.db2.gz VSNFBWYVLXTACH-JQWIXIFHSA-N 1 3 244.335 -0.206 20 0 BBADHO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000330860077 386903282 /nfs/dbraw/zinc/90/32/82/386903282.db2.gz VSNFBWYVLXTACH-JQWIXIFHSA-N 1 3 244.335 -0.206 20 0 BBADHO COC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000330860078 386903173 /nfs/dbraw/zinc/90/31/73/386903173.db2.gz VSNFBWYVLXTACH-PWSUYJOCSA-N 1 3 244.335 -0.206 20 0 BBADHO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000330860078 386903168 /nfs/dbraw/zinc/90/31/68/386903168.db2.gz VSNFBWYVLXTACH-PWSUYJOCSA-N 1 3 244.335 -0.206 20 0 BBADHO COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000330860079 386904088 /nfs/dbraw/zinc/90/40/88/386904088.db2.gz VSNFBWYVLXTACH-ZYHUDNBSSA-N 1 3 244.335 -0.206 20 0 BBADHO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000330860079 386904085 /nfs/dbraw/zinc/90/40/85/386904085.db2.gz VSNFBWYVLXTACH-ZYHUDNBSSA-N 1 3 244.335 -0.206 20 0 BBADHO C[C@@H](CC(=O)N(C)C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000330863357 386905659 /nfs/dbraw/zinc/90/56/59/386905659.db2.gz AOSSMQLDRQIFLC-CMPLNLGQSA-N 1 3 243.351 -0.491 20 0 BBADHO C[C@@H](CC(=O)N(C)C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000330863357 386905657 /nfs/dbraw/zinc/90/56/57/386905657.db2.gz AOSSMQLDRQIFLC-CMPLNLGQSA-N 1 3 243.351 -0.491 20 0 BBADHO C[C@@H](CC(=O)N(C)C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000330863358 386905632 /nfs/dbraw/zinc/90/56/32/386905632.db2.gz AOSSMQLDRQIFLC-JQWIXIFHSA-N 1 3 243.351 -0.491 20 0 BBADHO C[C@@H](CC(=O)N(C)C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000330863358 386905629 /nfs/dbraw/zinc/90/56/29/386905629.db2.gz AOSSMQLDRQIFLC-JQWIXIFHSA-N 1 3 243.351 -0.491 20 0 BBADHO C[C@H](CC(=O)N(C)C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000330863359 386905572 /nfs/dbraw/zinc/90/55/72/386905572.db2.gz AOSSMQLDRQIFLC-PWSUYJOCSA-N 1 3 243.351 -0.491 20 0 BBADHO C[C@H](CC(=O)N(C)C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000330863359 386905567 /nfs/dbraw/zinc/90/55/67/386905567.db2.gz AOSSMQLDRQIFLC-PWSUYJOCSA-N 1 3 243.351 -0.491 20 0 BBADHO C[C@H](CC(=O)N(C)C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000330863360 386907035 /nfs/dbraw/zinc/90/70/35/386907035.db2.gz AOSSMQLDRQIFLC-ZYHUDNBSSA-N 1 3 243.351 -0.491 20 0 BBADHO C[C@H](CC(=O)N(C)C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000330863360 386907031 /nfs/dbraw/zinc/90/70/31/386907031.db2.gz AOSSMQLDRQIFLC-ZYHUDNBSSA-N 1 3 243.351 -0.491 20 0 BBADHO C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@H]1C[NH3+] ZINC000331370290 177152054 /nfs/dbraw/zinc/15/20/54/177152054.db2.gz GCSFIBACTAFIMB-JLIMGVALSA-N 1 3 211.309 -0.223 20 0 BBADHO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@H]1C[NH3+] ZINC000331370291 176160915 /nfs/dbraw/zinc/16/09/15/176160915.db2.gz GCSFIBACTAFIMB-KYXWUPHJSA-N 1 3 211.309 -0.223 20 0 BBADHO C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@@H]1C[NH3+] ZINC000331370294 177152261 /nfs/dbraw/zinc/15/22/61/177152261.db2.gz GCSFIBACTAFIMB-QEYWKRMJSA-N 1 3 211.309 -0.223 20 0 BBADHO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@@H]1C[NH3+] ZINC000331370301 176160807 /nfs/dbraw/zinc/16/08/07/176160807.db2.gz GCSFIBACTAFIMB-RGOKHQFPSA-N 1 3 211.309 -0.223 20 0 BBADHO CN(C)C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000331468494 386856506 /nfs/dbraw/zinc/85/65/06/386856506.db2.gz VXNKFHRCXRJFBU-AEJSXWLSSA-N 1 3 227.308 -0.877 20 0 BBADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000331468507 386855615 /nfs/dbraw/zinc/85/56/15/386855615.db2.gz VXNKFHRCXRJFBU-BBBLOLIVSA-N 1 3 227.308 -0.877 20 0 BBADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@H]1N ZINC000331989801 356206808 /nfs/dbraw/zinc/20/68/08/356206808.db2.gz PZXOCZCHMMMLCH-HRDYMLBCSA-N 1 3 211.309 -0.162 20 0 BBADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1N ZINC000331989805 356206865 /nfs/dbraw/zinc/20/68/65/356206865.db2.gz PZXOCZCHMMMLCH-VGMNWLOBSA-N 1 3 211.309 -0.162 20 0 BBADHO CN(CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000333394531 387032386 /nfs/dbraw/zinc/03/23/86/387032386.db2.gz PFUFEVMAMVXNBP-URLYPYJESA-N 1 3 238.335 -0.402 20 0 BBADHO CN(CCNC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000333412710 385259171 /nfs/dbraw/zinc/25/91/71/385259171.db2.gz RKMYMFRWYKITAT-SECBINFHSA-N 1 3 226.324 -0.258 20 0 BBADHO CN(CCNC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000333412714 487738375 /nfs/dbraw/zinc/73/83/75/487738375.db2.gz RKMYMFRWYKITAT-VIFPVBQESA-N 1 3 226.324 -0.258 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCCNCC1 ZINC000333849556 176186375 /nfs/dbraw/zinc/18/63/75/176186375.db2.gz PTZBHNPVPORICO-GHMZBOCLSA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCCNCC1 ZINC000333849559 176185480 /nfs/dbraw/zinc/18/54/80/176185480.db2.gz PTZBHNPVPORICO-MNOVXSKESA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCCNCC1 ZINC000333849563 177174789 /nfs/dbraw/zinc/17/47/89/177174789.db2.gz PTZBHNPVPORICO-QWRGUYRKSA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCCNCC1 ZINC000333849566 177175391 /nfs/dbraw/zinc/17/53/91/177175391.db2.gz PTZBHNPVPORICO-WDEREUQCSA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@H]1NCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1C ZINC000333853588 177396536 /nfs/dbraw/zinc/39/65/36/177396536.db2.gz QMMFWLNQDQRNQG-APLZJWDSSA-N 1 3 238.335 -0.404 20 0 BBADHO C[C@@H]1NCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1C ZINC000333853591 387062381 /nfs/dbraw/zinc/06/23/81/387062381.db2.gz QMMFWLNQDQRNQG-LADJIXMOSA-N 1 3 238.335 -0.404 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333853593 387062488 /nfs/dbraw/zinc/06/24/88/387062488.db2.gz QMMFWLNQDQRNQG-OGBGREFGSA-N 1 3 238.335 -0.404 20 0 BBADHO C[C@H]1NCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1C ZINC000333853594 387062167 /nfs/dbraw/zinc/06/21/67/387062167.db2.gz QMMFWLNQDQRNQG-XXFSISAASA-N 1 3 238.335 -0.404 20 0 BBADHO C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)CN1 ZINC000333854516 176252821 /nfs/dbraw/zinc/25/28/21/176252821.db2.gz QPKNIZARLPGEBM-APLZJWDSSA-N 1 3 238.335 -0.404 20 0 BBADHO C[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)CN1 ZINC000333854517 177221539 /nfs/dbraw/zinc/22/15/39/177221539.db2.gz QPKNIZARLPGEBM-LADJIXMOSA-N 1 3 238.335 -0.404 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333854519 177221201 /nfs/dbraw/zinc/22/12/01/177221201.db2.gz QPKNIZARLPGEBM-OGBGREFGSA-N 1 3 238.335 -0.404 20 0 BBADHO C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)CN1 ZINC000333854520 387062578 /nfs/dbraw/zinc/06/25/78/387062578.db2.gz QPKNIZARLPGEBM-XXFSISAASA-N 1 3 238.335 -0.404 20 0 BBADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333949073 173055473 /nfs/dbraw/zinc/05/54/73/173055473.db2.gz WXRIYUUPDPVFPR-UKKRHICBSA-N 1 3 238.335 -0.402 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333949074 173031141 /nfs/dbraw/zinc/03/11/41/173031141.db2.gz WXRIYUUPDPVFPR-ZNSHCXBVSA-N 1 3 238.335 -0.402 20 0 BBADHO NCC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000334196137 136224375 /nfs/dbraw/zinc/22/43/75/136224375.db2.gz LBFBVPGOHUCGFD-LLVKDONJSA-N 1 3 219.288 -0.052 20 0 BBADHO NCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000334196138 136224323 /nfs/dbraw/zinc/22/43/23/136224323.db2.gz LBFBVPGOHUCGFD-NSHDSACASA-N 1 3 219.288 -0.052 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000334899010 386972871 /nfs/dbraw/zinc/97/28/71/386972871.db2.gz DSNRRZPQCBGIHQ-NXEZZACHSA-N 1 3 243.376 -0.098 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000334899012 386972680 /nfs/dbraw/zinc/97/26/80/386972680.db2.gz DSNRRZPQCBGIHQ-UWVGGRQHSA-N 1 3 243.376 -0.098 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000334899014 135837618 /nfs/dbraw/zinc/83/76/18/135837618.db2.gz DSNRRZPQCBGIHQ-VHSXEESVSA-N 1 3 243.376 -0.098 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000334899017 386972652 /nfs/dbraw/zinc/97/26/52/386972652.db2.gz DSNRRZPQCBGIHQ-ZJUUUORDSA-N 1 3 243.376 -0.098 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000334926203 387001047 /nfs/dbraw/zinc/00/10/47/387001047.db2.gz OPDYCALEWPAZGZ-GHMZBOCLSA-N 1 3 238.335 -0.162 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000334926204 387001532 /nfs/dbraw/zinc/00/15/32/387001532.db2.gz OPDYCALEWPAZGZ-MNOVXSKESA-N 1 3 238.335 -0.162 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000334926205 387001272 /nfs/dbraw/zinc/00/12/72/387001272.db2.gz OPDYCALEWPAZGZ-QWRGUYRKSA-N 1 3 238.335 -0.162 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000334926206 387001960 /nfs/dbraw/zinc/00/19/60/387001960.db2.gz OPDYCALEWPAZGZ-WDEREUQCSA-N 1 3 238.335 -0.162 20 0 BBADHO NCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000334929241 387004818 /nfs/dbraw/zinc/00/48/18/387004818.db2.gz ORPXCIXRBXMKBS-WDEREUQCSA-N 1 3 219.288 -0.102 20 0 BBADHO C[NH2+]CCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000334939689 387016390 /nfs/dbraw/zinc/01/63/90/387016390.db2.gz DWGMDYPXQDXNFM-BDAKNGLRSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000334939691 387015785 /nfs/dbraw/zinc/01/57/85/387015785.db2.gz DWGMDYPXQDXNFM-DTWKUNHWSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000334939692 387015530 /nfs/dbraw/zinc/01/55/30/387015530.db2.gz DWGMDYPXQDXNFM-IUCAKERBSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000334939694 387016324 /nfs/dbraw/zinc/01/63/24/387016324.db2.gz DWGMDYPXQDXNFM-RKDXNWHRSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000334941731 387019030 /nfs/dbraw/zinc/01/90/30/387019030.db2.gz UFQTUXGDMFXWAD-BDAKNGLRSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000334941732 387018362 /nfs/dbraw/zinc/01/83/62/387018362.db2.gz UFQTUXGDMFXWAD-DTWKUNHWSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000334941733 135846758 /nfs/dbraw/zinc/84/67/58/135846758.db2.gz UFQTUXGDMFXWAD-IUCAKERBSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000334941734 173354958 /nfs/dbraw/zinc/35/49/58/173354958.db2.gz UFQTUXGDMFXWAD-RKDXNWHRSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCNC(=O)N1CCNC(C)(C)C1 ZINC000334942416 387020464 /nfs/dbraw/zinc/02/04/64/387020464.db2.gz ZFTNNCGCHYJNCR-UHFFFAOYSA-N 1 3 214.313 -0.401 20 0 BBADHO CC1(C(=O)N[C@@H]2CNCCC2(F)F)C[NH2+]C1 ZINC000335032524 385920404 /nfs/dbraw/zinc/92/04/04/385920404.db2.gz MCJAZTXGGKSCIJ-SSDOTTSWSA-N 1 3 233.262 -0.291 20 0 BBADHO CC1(C(=O)N[C@H]2CNCCC2(F)F)C[NH2+]C1 ZINC000335032525 135869121 /nfs/dbraw/zinc/86/91/21/135869121.db2.gz MCJAZTXGGKSCIJ-ZETCQYMHSA-N 1 3 233.262 -0.291 20 0 BBADHO C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000335036421 173338701 /nfs/dbraw/zinc/33/87/01/173338701.db2.gz CUFZVIXIIMBARU-ZJUUUORDSA-N 1 3 211.309 -0.208 20 0 BBADHO CC1(C(=O)N[C@@H]2CCN(C3CC3)C2)C[NH2+]C1 ZINC000335045072 388448675 /nfs/dbraw/zinc/44/86/75/388448675.db2.gz XBWLEKWPKKSGCE-SECBINFHSA-N 1 3 223.320 -0.051 20 0 BBADHO CC1(C(=O)N[C@H]2CCN(C3CC3)C2)C[NH2+]C1 ZINC000335045073 388448288 /nfs/dbraw/zinc/44/82/88/388448288.db2.gz XBWLEKWPKKSGCE-VIFPVBQESA-N 1 3 223.320 -0.051 20 0 BBADHO CC1(C(=O)N2CCNC(C)(C)C2)C[NH2+]C1 ZINC000335229056 347103674 /nfs/dbraw/zinc/10/36/74/347103674.db2.gz FAKWTWFBJMLMRG-UHFFFAOYSA-N 1 3 211.309 -0.194 20 0 BBADHO CC1(CNC(=O)[C@@H]2C[C@@H]2N)CC[NH2+]CC1 ZINC000335277103 386340082 /nfs/dbraw/zinc/34/00/82/386340082.db2.gz HXPHVEWLSJJDOM-BDAKNGLRSA-N 1 3 211.309 -0.161 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335282035 355273182 /nfs/dbraw/zinc/27/31/82/355273182.db2.gz QISUBSIPNIZGSD-VHSXEESVSA-N 1 3 223.320 -0.064 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335283462 136001031 /nfs/dbraw/zinc/00/10/31/136001031.db2.gz JDSNVCWZPJHWBS-VHSXEESVSA-N 1 3 223.320 -0.064 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000335284424 386155377 /nfs/dbraw/zinc/15/53/77/386155377.db2.gz CDRNAFWJYVEHGL-VHSXEESVSA-N 1 3 209.293 -0.360 20 0 BBADHO CC1(C)CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1 ZINC000335344180 136065446 /nfs/dbraw/zinc/06/54/46/136065446.db2.gz FRPXQPUEKBZENV-DTORHVGOSA-N 1 3 211.309 -0.066 20 0 BBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000335345506 136066296 /nfs/dbraw/zinc/06/62/96/136066296.db2.gz KMQIFLZAOHALJW-HTQZYQBOSA-N 1 3 233.262 -0.148 20 0 BBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000335345507 136066216 /nfs/dbraw/zinc/06/62/16/136066216.db2.gz KMQIFLZAOHALJW-JGVFFNPUSA-N 1 3 233.262 -0.148 20 0 BBADHO O=C(N[C@H]1CNCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000335345508 136066177 /nfs/dbraw/zinc/06/61/77/136066177.db2.gz KMQIFLZAOHALJW-SFYZADRCSA-N 1 3 233.262 -0.148 20 0 BBADHO O=C(N[C@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000335345509 182341925 /nfs/dbraw/zinc/34/19/25/182341925.db2.gz KMQIFLZAOHALJW-YUMQZZPRSA-N 1 3 233.262 -0.148 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)NC3C[NH2+]C3)[C@@H]2C1 ZINC000335377039 136086000 /nfs/dbraw/zinc/08/60/00/136086000.db2.gz GYNOWIUGGULVJN-GXSJLCMTSA-N 1 3 238.335 -0.306 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)NC3C[NH2+]C3)[C@H]2C1 ZINC000335377040 136085976 /nfs/dbraw/zinc/08/59/76/136085976.db2.gz GYNOWIUGGULVJN-KOLCDFICSA-N 1 3 238.335 -0.306 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)NC3C[NH2+]C3)[C@@H]2C1 ZINC000335377041 136086062 /nfs/dbraw/zinc/08/60/62/136086062.db2.gz GYNOWIUGGULVJN-MWLCHTKSSA-N 1 3 238.335 -0.306 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)NC3C[NH2+]C3)[C@H]2C1 ZINC000335377042 136085932 /nfs/dbraw/zinc/08/59/32/136085932.db2.gz GYNOWIUGGULVJN-ONGXEEELSA-N 1 3 238.335 -0.306 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335388113 536373558 /nfs/dbraw/zinc/37/35/58/536373558.db2.gz DIEXKZICKWEYRI-NXEZZACHSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335388114 136089541 /nfs/dbraw/zinc/08/95/41/136089541.db2.gz DIEXKZICKWEYRI-UWVGGRQHSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335388115 136089799 /nfs/dbraw/zinc/08/97/99/136089799.db2.gz DIEXKZICKWEYRI-VHSXEESVSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335388116 536372795 /nfs/dbraw/zinc/37/27/95/536372795.db2.gz DIEXKZICKWEYRI-ZJUUUORDSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)CC[NH3+])[C@@H]2C1 ZINC000335390503 136090476 /nfs/dbraw/zinc/09/04/76/136090476.db2.gz VXWOQBCXVYETNJ-NXEZZACHSA-N 1 3 211.309 -0.112 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)CC[NH3+])[C@H]2C1 ZINC000335390504 136090718 /nfs/dbraw/zinc/09/07/18/136090718.db2.gz VXWOQBCXVYETNJ-UWVGGRQHSA-N 1 3 211.309 -0.112 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)CC[NH3+])[C@@H]2C1 ZINC000335390506 136090674 /nfs/dbraw/zinc/09/06/74/136090674.db2.gz VXWOQBCXVYETNJ-VHSXEESVSA-N 1 3 211.309 -0.112 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)CC[NH3+])[C@H]2C1 ZINC000335390508 136090347 /nfs/dbraw/zinc/09/03/47/136090347.db2.gz VXWOQBCXVYETNJ-ZJUUUORDSA-N 1 3 211.309 -0.112 20 0 BBADHO [NH3+]CC1(CC(=O)N2CCCNCC2)CC1 ZINC000335390602 181359036 /nfs/dbraw/zinc/35/90/36/181359036.db2.gz RAAOJNRTJFQBOZ-UHFFFAOYSA-N 1 3 211.309 -0.063 20 0 BBADHO O=C1NCC[C@@H]1N1CCC2(C1)CC[NH2+]CC2 ZINC000335390891 136090606 /nfs/dbraw/zinc/09/06/06/136090606.db2.gz BRQOQJVUABFRIB-JTQLQIEISA-N 1 3 223.320 -0.050 20 0 BBADHO O=C1NCC[C@H]1N1CCC2(C1)CC[NH2+]CC2 ZINC000335390894 136090467 /nfs/dbraw/zinc/09/04/67/136090467.db2.gz BRQOQJVUABFRIB-SNVBAGLBSA-N 1 3 223.320 -0.050 20 0 BBADHO O=C(NC1C[NH2+]C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000335394523 136091990 /nfs/dbraw/zinc/09/19/90/136091990.db2.gz HMLFJCOEBYGRFL-LLVKDONJSA-N 1 3 236.319 -0.386 20 0 BBADHO O=C(NC1C[NH2+]C1)N1CC[C@H](N2CC=CC2)C1 ZINC000335394524 136092231 /nfs/dbraw/zinc/09/22/31/136092231.db2.gz HMLFJCOEBYGRFL-NSHDSACASA-N 1 3 236.319 -0.386 20 0 BBADHO CNC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000335395182 136091974 /nfs/dbraw/zinc/09/19/74/136091974.db2.gz JXORGCABWMKHAI-UHFFFAOYSA-N 1 3 211.309 -0.192 20 0 BBADHO O=C1NCC[C@@H]1N1CCC2(CC[NH2+]C2)CC1 ZINC000335396355 136092416 /nfs/dbraw/zinc/09/24/16/136092416.db2.gz PCBLTBYMKJRQFQ-JTQLQIEISA-N 1 3 223.320 -0.050 20 0 BBADHO O=C1NCC[C@H]1N1CCC2(CC[NH2+]C2)CC1 ZINC000335396357 136092493 /nfs/dbraw/zinc/09/24/93/136092493.db2.gz PCBLTBYMKJRQFQ-SNVBAGLBSA-N 1 3 223.320 -0.050 20 0 BBADHO C[C@@H]1CCN(C(=O)C2(N)CC2)C[C@@H]1C[NH3+] ZINC000335397098 136092900 /nfs/dbraw/zinc/09/29/00/136092900.db2.gz VBSGCFPAKUWMEN-BDAKNGLRSA-N 1 3 211.309 -0.079 20 0 BBADHO C[C@H]1CCN(C(=O)C2(N)CC2)C[C@H]1C[NH3+] ZINC000335397100 136093131 /nfs/dbraw/zinc/09/31/31/136093131.db2.gz VBSGCFPAKUWMEN-DTWKUNHWSA-N 1 3 211.309 -0.079 20 0 BBADHO C[C@H]1CCN(C(=O)C2(N)CC2)C[C@@H]1C[NH3+] ZINC000335397102 136093078 /nfs/dbraw/zinc/09/30/78/136093078.db2.gz VBSGCFPAKUWMEN-IUCAKERBSA-N 1 3 211.309 -0.079 20 0 BBADHO C[C@@H]1CCN(C(=O)C2(N)CC2)C[C@H]1C[NH3+] ZINC000335397104 136093023 /nfs/dbraw/zinc/09/30/23/136093023.db2.gz VBSGCFPAKUWMEN-RKDXNWHRSA-N 1 3 211.309 -0.079 20 0 BBADHO NCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000335397721 136093128 /nfs/dbraw/zinc/09/31/28/136093128.db2.gz WBCRCVGFMOUXHR-WDEREUQCSA-N 1 3 219.288 -0.183 20 0 BBADHO CNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335397764 173275055 /nfs/dbraw/zinc/27/50/55/173275055.db2.gz YAKNFXWBMYWTIZ-AOOOYVTPSA-N 1 3 211.309 -0.336 20 0 BBADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000335399207 136093771 /nfs/dbraw/zinc/09/37/71/136093771.db2.gz MWQCMSJRFZQJEB-NXEZZACHSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000335399209 136093651 /nfs/dbraw/zinc/09/36/51/136093651.db2.gz MWQCMSJRFZQJEB-UWVGGRQHSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000335399211 136093832 /nfs/dbraw/zinc/09/38/32/136093832.db2.gz MWQCMSJRFZQJEB-VHSXEESVSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]CC[C@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000335399213 136093958 /nfs/dbraw/zinc/09/39/58/136093958.db2.gz MWQCMSJRFZQJEB-ZJUUUORDSA-N 1 3 211.309 -0.064 20 0 BBADHO N[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000335400915 136094168 /nfs/dbraw/zinc/09/41/68/136094168.db2.gz RYURBTPEKAXUAF-NXEZZACHSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@H](C(=O)N[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000335400917 385591240 /nfs/dbraw/zinc/59/12/40/385591240.db2.gz RYURBTPEKAXUAF-UWVGGRQHSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000335400919 136094305 /nfs/dbraw/zinc/09/43/05/136094305.db2.gz RYURBTPEKAXUAF-VHSXEESVSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000335400921 384712176 /nfs/dbraw/zinc/71/21/76/384712176.db2.gz RYURBTPEKAXUAF-ZJUUUORDSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@@H]1CCN(C)CCN1C(=O)NC1C[NH2+]C1 ZINC000335404886 386561610 /nfs/dbraw/zinc/56/16/10/386561610.db2.gz SAGBLCZAKVKQPX-SECBINFHSA-N 1 3 226.324 -0.306 20 0 BBADHO C[C@H]1CCN(C)CCN1C(=O)NC1C[NH2+]C1 ZINC000335404888 386559957 /nfs/dbraw/zinc/55/99/57/386559957.db2.gz SAGBLCZAKVKQPX-VIFPVBQESA-N 1 3 226.324 -0.306 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1CCNC(C)(C)C1 ZINC000335414416 386579556 /nfs/dbraw/zinc/57/95/56/386579556.db2.gz RKYWAZQMABLHBR-MRVPVSSYSA-N 1 3 214.313 -0.273 20 0 BBADHO NC1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000335424507 386600223 /nfs/dbraw/zinc/60/02/23/386600223.db2.gz RQSGKPLRTOGTQZ-NXEZZACHSA-N 1 3 223.320 -0.064 20 0 BBADHO NC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000335424509 386601156 /nfs/dbraw/zinc/60/11/56/386601156.db2.gz RQSGKPLRTOGTQZ-UWVGGRQHSA-N 1 3 223.320 -0.064 20 0 BBADHO NC1(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000335424510 386600531 /nfs/dbraw/zinc/60/05/31/386600531.db2.gz RQSGKPLRTOGTQZ-VHSXEESVSA-N 1 3 223.320 -0.064 20 0 BBADHO NC1(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000335424513 386601499 /nfs/dbraw/zinc/60/14/99/386601499.db2.gz RQSGKPLRTOGTQZ-ZJUUUORDSA-N 1 3 223.320 -0.064 20 0 BBADHO CN1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335455238 386530588 /nfs/dbraw/zinc/53/05/88/386530588.db2.gz PPHHRFZBQWDXDC-DTORHVGOSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CCC1 ZINC000335461971 386546566 /nfs/dbraw/zinc/54/65/66/386546566.db2.gz GVSJRKQBPLQQJF-BDAKNGLRSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CCC1 ZINC000335461972 386545757 /nfs/dbraw/zinc/54/57/57/386545757.db2.gz GVSJRKQBPLQQJF-DTWKUNHWSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CCC1 ZINC000335461973 386546098 /nfs/dbraw/zinc/54/60/98/386546098.db2.gz GVSJRKQBPLQQJF-IUCAKERBSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CCC1 ZINC000335461974 386545513 /nfs/dbraw/zinc/54/55/13/386545513.db2.gz GVSJRKQBPLQQJF-RKDXNWHRSA-N 1 3 211.309 -0.018 20 0 BBADHO C[NH2+]CCC(=O)N1CCN2CCC1CC2 ZINC000335462346 386544853 /nfs/dbraw/zinc/54/48/53/386544853.db2.gz DMBWUJOJVYXQLB-UHFFFAOYSA-N 1 3 211.309 -0.098 20 0 BBADHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335464308 384292474 /nfs/dbraw/zinc/29/24/74/384292474.db2.gz PDUPZKOXMWPSHI-NXEZZACHSA-N 1 3 211.309 -0.099 20 0 BBADHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335464309 172483682 /nfs/dbraw/zinc/48/36/82/172483682.db2.gz PDUPZKOXMWPSHI-VHSXEESVSA-N 1 3 211.309 -0.099 20 0 BBADHO C[C@H](C[NH3+])C(=O)N1CCN2CCC1CC2 ZINC000335465102 386551565 /nfs/dbraw/zinc/55/15/65/386551565.db2.gz SQIAFRMYAUQOEU-SECBINFHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[C@@H](C[NH3+])C(=O)N1CCN2CCC1CC2 ZINC000335465104 386551203 /nfs/dbraw/zinc/55/12/03/386551203.db2.gz SQIAFRMYAUQOEU-VIFPVBQESA-N 1 3 211.309 -0.112 20 0 BBADHO C[C@@H]1CCN[C@@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000335465436 386551512 /nfs/dbraw/zinc/55/15/12/386551512.db2.gz SLKAIRBIXAAKOK-PSASIEDQSA-N 1 3 211.309 -0.290 20 0 BBADHO C[C@@H]1CCN[C@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000335465437 386550843 /nfs/dbraw/zinc/55/08/43/386550843.db2.gz SLKAIRBIXAAKOK-SCZZXKLOSA-N 1 3 211.309 -0.290 20 0 BBADHO C[C@H]1CCN[C@@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000335465438 386551725 /nfs/dbraw/zinc/55/17/25/386551725.db2.gz SLKAIRBIXAAKOK-WCBMZHEXSA-N 1 3 211.309 -0.290 20 0 BBADHO C[C@H]1CCN[C@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000335465439 386552150 /nfs/dbraw/zinc/55/21/50/386552150.db2.gz SLKAIRBIXAAKOK-WPRPVWTQSA-N 1 3 211.309 -0.290 20 0 BBADHO NC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000335481693 386709805 /nfs/dbraw/zinc/70/98/05/386709805.db2.gz XQNSXTAHCDDVEI-DTORHVGOSA-N 1 3 209.293 -0.454 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000335506343 398341616 /nfs/dbraw/zinc/34/16/16/398341616.db2.gz YPKMZJJNXMCUGQ-SECBINFHSA-N 1 3 211.309 -0.194 20 0 BBADHO CN1CCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000335506344 398341650 /nfs/dbraw/zinc/34/16/50/398341650.db2.gz YPKMZJJNXMCUGQ-VIFPVBQESA-N 1 3 211.309 -0.194 20 0 BBADHO CNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000335570539 173273536 /nfs/dbraw/zinc/27/35/36/173273536.db2.gz BBZYFIJAJIWSDQ-UHFFFAOYSA-N 1 3 211.309 -0.192 20 0 BBADHO C[C@]1(CNC(=O)C2(N)CC2)CCC[NH2+]C1 ZINC000335605376 384377864 /nfs/dbraw/zinc/37/78/64/384377864.db2.gz WUUFHSGKFQCBBO-JTQLQIEISA-N 1 3 211.309 -0.016 20 0 BBADHO C[C@@]1(CNC(=O)C2(N)CC2)CCC[NH2+]C1 ZINC000335605377 176531360 /nfs/dbraw/zinc/53/13/60/176531360.db2.gz WUUFHSGKFQCBBO-SNVBAGLBSA-N 1 3 211.309 -0.016 20 0 BBADHO C[C@@H]1CN(C(=O)NCCC[NH3+])[C@@H](C)CN1 ZINC000335621118 136239409 /nfs/dbraw/zinc/23/94/09/136239409.db2.gz IUKCYDPSWTXAEP-BDAKNGLRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCC[NH3+] ZINC000335621119 136239628 /nfs/dbraw/zinc/23/96/28/136239628.db2.gz IUKCYDPSWTXAEP-DTWKUNHWSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H]1CN(C(=O)NCCC[NH3+])[C@@H](C)CN1 ZINC000335621120 136239512 /nfs/dbraw/zinc/23/95/12/136239512.db2.gz IUKCYDPSWTXAEP-IUCAKERBSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H]1CN(C(=O)NCCC[NH3+])[C@H](C)CN1 ZINC000335621121 136239704 /nfs/dbraw/zinc/23/97/04/136239704.db2.gz IUKCYDPSWTXAEP-RKDXNWHRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H]1NCCN(C(=O)NCCC[NH3+])[C@H]1C ZINC000335622512 136239856 /nfs/dbraw/zinc/23/98/56/136239856.db2.gz NKYHZDCZWZKYMM-BDAKNGLRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[NH3+] ZINC000335622518 136240101 /nfs/dbraw/zinc/24/01/01/136240101.db2.gz NKYHZDCZWZKYMM-DTWKUNHWSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H]1NCCN(C(=O)NCCC[NH3+])[C@H]1C ZINC000335622527 136240085 /nfs/dbraw/zinc/24/00/85/136240085.db2.gz NKYHZDCZWZKYMM-IUCAKERBSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H]1NCCN(C(=O)NCCC[NH3+])[C@@H]1C ZINC000335622530 136239937 /nfs/dbraw/zinc/23/99/37/136239937.db2.gz NKYHZDCZWZKYMM-RKDXNWHRSA-N 1 3 214.313 -0.273 20 0 BBADHO CC1(C)CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CCN1 ZINC000335626388 136240632 /nfs/dbraw/zinc/24/06/32/136240632.db2.gz CYXOUIIUYUHQHA-SKDRFNHKSA-N 1 3 223.320 -0.051 20 0 BBADHO CC1(C)CN(C(=O)[C@H]2CCC[NH2+]2)CCN1 ZINC000335628175 347263744 /nfs/dbraw/zinc/26/37/44/347263744.db2.gz XLHIBMISHWLLSL-SECBINFHSA-N 1 3 211.309 -0.051 20 0 BBADHO CC1(C)CN(C(=O)[C@@H]2CCC[NH2+]2)CCN1 ZINC000335628176 136241129 /nfs/dbraw/zinc/24/11/29/136241129.db2.gz XLHIBMISHWLLSL-VIFPVBQESA-N 1 3 211.309 -0.051 20 0 BBADHO NC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC000335629248 181328789 /nfs/dbraw/zinc/32/87/89/181328789.db2.gz OJBLCJWRBQEXPG-BRPSZJMVSA-N 1 3 209.293 -0.408 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335630154 538097829 /nfs/dbraw/zinc/09/78/29/538097829.db2.gz XYOUMUKSZSUWHO-GXSJLCMTSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335630155 176748062 /nfs/dbraw/zinc/74/80/62/176748062.db2.gz XYOUMUKSZSUWHO-ONGXEEELSA-N 1 3 211.309 -0.064 20 0 BBADHO CN1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000335648683 384427336 /nfs/dbraw/zinc/42/73/36/384427336.db2.gz IRDAPWNRVBFUFO-UHFFFAOYSA-N 1 3 211.309 -0.194 20 0 BBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@H]1CC[NH2+]1 ZINC000335652879 136305832 /nfs/dbraw/zinc/30/58/32/136305832.db2.gz DCODEDIGOQTHJU-RNFRBKRXSA-N 1 3 219.235 -0.538 20 0 BBADHO O=C(N[C@H]1CNCCC1(F)F)[C@H]1CC[NH2+]1 ZINC000335652880 136305647 /nfs/dbraw/zinc/30/56/47/136305647.db2.gz DCODEDIGOQTHJU-RQJHMYQMSA-N 1 3 219.235 -0.538 20 0 BBADHO C[C@H]([NH3+])CC(=O)N[C@H]1CNCCC1(F)F ZINC000335653346 136305619 /nfs/dbraw/zinc/30/56/19/136305619.db2.gz IDADNTYZACMPAF-BQBZGAKWSA-N 1 3 221.251 -0.163 20 0 BBADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CNCCC1(F)F ZINC000335653447 136305764 /nfs/dbraw/zinc/30/57/64/136305764.db2.gz IDADNTYZACMPAF-NKWVEPMBSA-N 1 3 221.251 -0.163 20 0 BBADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CNCCC1(F)F ZINC000335653448 136305577 /nfs/dbraw/zinc/30/55/77/136305577.db2.gz IDADNTYZACMPAF-RNFRBKRXSA-N 1 3 221.251 -0.163 20 0 BBADHO C[C@@H]([NH3+])CC(=O)N[C@H]1CNCCC1(F)F ZINC000335653449 136305683 /nfs/dbraw/zinc/30/56/83/136305683.db2.gz IDADNTYZACMPAF-RQJHMYQMSA-N 1 3 221.251 -0.163 20 0 BBADHO C[C@@H](C[NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000335653523 136305685 /nfs/dbraw/zinc/30/56/85/136305685.db2.gz KPILNYPWBWYANA-BQBZGAKWSA-N 1 3 221.251 -0.305 20 0 BBADHO C[C@@H](C[NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000335653524 136305729 /nfs/dbraw/zinc/30/57/29/136305729.db2.gz KPILNYPWBWYANA-NKWVEPMBSA-N 1 3 221.251 -0.305 20 0 BBADHO C[C@H](C[NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000335653525 136305553 /nfs/dbraw/zinc/30/55/53/136305553.db2.gz KPILNYPWBWYANA-RNFRBKRXSA-N 1 3 221.251 -0.305 20 0 BBADHO C[C@H](C[NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000335653526 136305859 /nfs/dbraw/zinc/30/58/59/136305859.db2.gz KPILNYPWBWYANA-RQJHMYQMSA-N 1 3 221.251 -0.305 20 0 BBADHO [NH3+]CCC(=O)N[C@H]1CNCCC1(F)F ZINC000335653794 136305982 /nfs/dbraw/zinc/30/59/82/136305982.db2.gz LJSFWSMYZXUEAB-LURJTMIESA-N 1 3 207.224 -0.551 20 0 BBADHO [NH3+]CCC(=O)N[C@@H]1CNCCC1(F)F ZINC000335653795 136306102 /nfs/dbraw/zinc/30/61/02/136306102.db2.gz LJSFWSMYZXUEAB-ZCFIWIBFSA-N 1 3 207.224 -0.551 20 0 BBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000335653796 136306310 /nfs/dbraw/zinc/30/63/10/136306310.db2.gz LNMRRAKNKHJUAL-HTQZYQBOSA-N 1 3 233.262 -0.291 20 0 BBADHO O=C(N[C@H]1CNCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000335653798 136306227 /nfs/dbraw/zinc/30/62/27/136306227.db2.gz LNMRRAKNKHJUAL-SFYZADRCSA-N 1 3 233.262 -0.291 20 0 BBADHO C[NH2+]CC(=O)N[C@H]1CNCCC1(F)F ZINC000335654725 136306167 /nfs/dbraw/zinc/30/61/67/136306167.db2.gz ZYLNWBDQPHXIEI-LURJTMIESA-N 1 3 207.224 -0.681 20 0 BBADHO C[NH2+]CC(=O)N[C@@H]1CNCCC1(F)F ZINC000335654726 136306046 /nfs/dbraw/zinc/30/60/46/136306046.db2.gz ZYLNWBDQPHXIEI-ZCFIWIBFSA-N 1 3 207.224 -0.681 20 0 BBADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN)C1 ZINC000335655325 536473486 /nfs/dbraw/zinc/47/34/86/536473486.db2.gz ABOVWQRMBTYVRZ-NXEZZACHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN)C1 ZINC000335655325 536473484 /nfs/dbraw/zinc/47/34/84/536473484.db2.gz ABOVWQRMBTYVRZ-NXEZZACHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN)C1 ZINC000335655326 136306576 /nfs/dbraw/zinc/30/65/76/136306576.db2.gz ABOVWQRMBTYVRZ-UWVGGRQHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN)C1 ZINC000335655326 136306575 /nfs/dbraw/zinc/30/65/75/136306575.db2.gz ABOVWQRMBTYVRZ-UWVGGRQHSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN)C1 ZINC000335655327 173136668 /nfs/dbraw/zinc/13/66/68/173136668.db2.gz ABOVWQRMBTYVRZ-VHSXEESVSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN)C1 ZINC000335655327 173136666 /nfs/dbraw/zinc/13/66/66/173136666.db2.gz ABOVWQRMBTYVRZ-VHSXEESVSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN)C1 ZINC000335655328 136306608 /nfs/dbraw/zinc/30/66/08/136306608.db2.gz ABOVWQRMBTYVRZ-ZJUUUORDSA-N 1 3 211.309 -0.112 20 0 BBADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN)C1 ZINC000335655328 136306607 /nfs/dbraw/zinc/30/66/07/136306607.db2.gz ABOVWQRMBTYVRZ-ZJUUUORDSA-N 1 3 211.309 -0.112 20 0 BBADHO NC1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000335663256 136316009 /nfs/dbraw/zinc/31/60/09/136316009.db2.gz UVLLXNWOYSPKAS-LURJTMIESA-N 1 3 219.235 -0.409 20 0 BBADHO NC1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000335663272 136316203 /nfs/dbraw/zinc/31/62/03/136316203.db2.gz UVLLXNWOYSPKAS-ZCFIWIBFSA-N 1 3 219.235 -0.409 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335667517 538098727 /nfs/dbraw/zinc/09/87/27/538098727.db2.gz XYOUMUKSZSUWHO-KOLCDFICSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335667518 538098394 /nfs/dbraw/zinc/09/83/94/538098394.db2.gz XYOUMUKSZSUWHO-MWLCHTKSSA-N 1 3 211.309 -0.064 20 0 BBADHO NC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCCC1 ZINC000336620757 181328835 /nfs/dbraw/zinc/32/88/35/181328835.db2.gz AYSAIWONDYGPQE-MYJAWHEDSA-N 1 3 223.320 -0.018 20 0 BBADHO COC[C@@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000336645312 386607285 /nfs/dbraw/zinc/60/72/85/386607285.db2.gz BMHXFFULKMNJRK-NXEZZACHSA-N 1 3 202.298 -0.323 20 0 BBADHO COC[C@@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000336645312 386607279 /nfs/dbraw/zinc/60/72/79/386607279.db2.gz BMHXFFULKMNJRK-NXEZZACHSA-N 1 3 202.298 -0.323 20 0 BBADHO COC[C@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000336645315 386608280 /nfs/dbraw/zinc/60/82/80/386608280.db2.gz BMHXFFULKMNJRK-UWVGGRQHSA-N 1 3 202.298 -0.323 20 0 BBADHO COC[C@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336645315 386608276 /nfs/dbraw/zinc/60/82/76/386608276.db2.gz BMHXFFULKMNJRK-UWVGGRQHSA-N 1 3 202.298 -0.323 20 0 BBADHO COC[C@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000336645316 386608174 /nfs/dbraw/zinc/60/81/74/386608174.db2.gz BMHXFFULKMNJRK-VHSXEESVSA-N 1 3 202.298 -0.323 20 0 BBADHO COC[C@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000336645316 386608171 /nfs/dbraw/zinc/60/81/71/386608171.db2.gz BMHXFFULKMNJRK-VHSXEESVSA-N 1 3 202.298 -0.323 20 0 BBADHO COC[C@@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000336645317 386607323 /nfs/dbraw/zinc/60/73/23/386607323.db2.gz BMHXFFULKMNJRK-ZJUUUORDSA-N 1 3 202.298 -0.323 20 0 BBADHO COC[C@@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336645317 386607318 /nfs/dbraw/zinc/60/73/18/386607318.db2.gz BMHXFFULKMNJRK-ZJUUUORDSA-N 1 3 202.298 -0.323 20 0 BBADHO CC(C)(C)[C@H](NCCOCC[NH3+])C(N)=O ZINC000336647363 187992568 /nfs/dbraw/zinc/99/25/68/187992568.db2.gz BVGPSIQKAJDAOZ-MRVPVSSYSA-N 1 3 217.313 -0.549 20 0 BBADHO CC(C)(C)[C@@H](NCCOCC[NH3+])C(N)=O ZINC000336647364 386257769 /nfs/dbraw/zinc/25/77/69/386257769.db2.gz BVGPSIQKAJDAOZ-QMMMGPOBSA-N 1 3 217.313 -0.549 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000336687266 490265836 /nfs/dbraw/zinc/26/58/36/490265836.db2.gz VANZVIGXMRYBEC-NTSWFWBYSA-N 1 3 227.230 -0.025 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000336687279 188341358 /nfs/dbraw/zinc/34/13/58/188341358.db2.gz VANZVIGXMRYBEC-PHDIDXHHSA-N 1 3 227.230 -0.025 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000336687280 191125791 /nfs/dbraw/zinc/12/57/91/191125791.db2.gz VANZVIGXMRYBEC-RITPCOANSA-N 1 3 227.230 -0.025 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000336687281 385152296 /nfs/dbraw/zinc/15/22/96/385152296.db2.gz VANZVIGXMRYBEC-WDSKDSINSA-N 1 3 227.230 -0.025 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000336718593 170157638 /nfs/dbraw/zinc/15/76/38/170157638.db2.gz XKKUMGJFNODPOC-HTQZYQBOSA-N 1 3 236.337 -0.466 20 0 BBADHO CC[NH2+][C@@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000336718594 170139063 /nfs/dbraw/zinc/13/90/63/170139063.db2.gz XKKUMGJFNODPOC-JGVFFNPUSA-N 1 3 236.337 -0.466 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000336718595 170158106 /nfs/dbraw/zinc/15/81/06/170158106.db2.gz XKKUMGJFNODPOC-SFYZADRCSA-N 1 3 236.337 -0.466 20 0 BBADHO CC[NH2+][C@@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000336718596 170140448 /nfs/dbraw/zinc/14/04/48/170140448.db2.gz XKKUMGJFNODPOC-YUMQZZPRSA-N 1 3 236.337 -0.466 20 0 BBADHO C[N@@H+](C[C@@H](O)CNC(C)(C)CC(N)=O)C1CC1 ZINC000336726259 385890545 /nfs/dbraw/zinc/89/05/45/385890545.db2.gz VJKWTOOQGISBQO-JTQLQIEISA-N 1 3 243.351 -0.315 20 0 BBADHO C[N@H+](C[C@@H](O)CNC(C)(C)CC(N)=O)C1CC1 ZINC000336726259 385890544 /nfs/dbraw/zinc/89/05/44/385890544.db2.gz VJKWTOOQGISBQO-JTQLQIEISA-N 1 3 243.351 -0.315 20 0 BBADHO C[N@@H+](C[C@H](O)CNC(C)(C)CC(N)=O)C1CC1 ZINC000336726262 385890068 /nfs/dbraw/zinc/89/00/68/385890068.db2.gz VJKWTOOQGISBQO-SNVBAGLBSA-N 1 3 243.351 -0.315 20 0 BBADHO C[N@H+](C[C@H](O)CNC(C)(C)CC(N)=O)C1CC1 ZINC000336726262 385890063 /nfs/dbraw/zinc/89/00/63/385890063.db2.gz VJKWTOOQGISBQO-SNVBAGLBSA-N 1 3 243.351 -0.315 20 0 BBADHO CN1CCC[C@H]1CC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336730408 173054800 /nfs/dbraw/zinc/05/48/00/173054800.db2.gz XZDBJDOCBRPUKV-CMPLNLGQSA-N 1 3 241.335 -0.607 20 0 BBADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336730408 173054798 /nfs/dbraw/zinc/05/47/98/173054798.db2.gz XZDBJDOCBRPUKV-CMPLNLGQSA-N 1 3 241.335 -0.607 20 0 BBADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336730411 173053607 /nfs/dbraw/zinc/05/36/07/173053607.db2.gz XZDBJDOCBRPUKV-JQWIXIFHSA-N 1 3 241.335 -0.607 20 0 BBADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336730411 173053604 /nfs/dbraw/zinc/05/36/04/173053604.db2.gz XZDBJDOCBRPUKV-JQWIXIFHSA-N 1 3 241.335 -0.607 20 0 BBADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336730412 173029486 /nfs/dbraw/zinc/02/94/86/173029486.db2.gz XZDBJDOCBRPUKV-PWSUYJOCSA-N 1 3 241.335 -0.607 20 0 BBADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000336730412 173029484 /nfs/dbraw/zinc/02/94/84/173029484.db2.gz XZDBJDOCBRPUKV-PWSUYJOCSA-N 1 3 241.335 -0.607 20 0 BBADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336730415 173027524 /nfs/dbraw/zinc/02/75/24/173027524.db2.gz XZDBJDOCBRPUKV-ZYHUDNBSSA-N 1 3 241.335 -0.607 20 0 BBADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000336730415 173027521 /nfs/dbraw/zinc/02/75/21/173027521.db2.gz XZDBJDOCBRPUKV-ZYHUDNBSSA-N 1 3 241.335 -0.607 20 0 BBADHO CN1CCC(O)(C[NH2+][C@H]2CCOC2)CC1 ZINC000336746385 385936078 /nfs/dbraw/zinc/93/60/78/385936078.db2.gz BJEJTKWOIDCHBL-JTQLQIEISA-N 1 3 214.309 -0.178 20 0 BBADHO CN1CCC(O)(C[NH2+][C@@H]2CCOC2)CC1 ZINC000336746390 385936974 /nfs/dbraw/zinc/93/69/74/385936974.db2.gz BJEJTKWOIDCHBL-SNVBAGLBSA-N 1 3 214.309 -0.178 20 0 BBADHO CC[NH2+][C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000336754677 170139476 /nfs/dbraw/zinc/13/94/76/170139476.db2.gz XBAIYLSHXJJUFP-NTSWFWBYSA-N 1 3 227.230 -0.010 20 0 BBADHO CC[NH2+][C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000336754679 170140324 /nfs/dbraw/zinc/14/03/24/170140324.db2.gz XBAIYLSHXJJUFP-WDSKDSINSA-N 1 3 227.230 -0.010 20 0 BBADHO CNC(=O)C[C@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000336764491 173282495 /nfs/dbraw/zinc/28/24/95/173282495.db2.gz NGHKLAXJNYRRPD-GXSJLCMTSA-N 1 3 229.324 -0.833 20 0 BBADHO CNC(=O)C[C@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000336764491 173282494 /nfs/dbraw/zinc/28/24/94/173282494.db2.gz NGHKLAXJNYRRPD-GXSJLCMTSA-N 1 3 229.324 -0.833 20 0 BBADHO CNC(=O)C[C@@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000336764492 173280634 /nfs/dbraw/zinc/28/06/34/173280634.db2.gz NGHKLAXJNYRRPD-KOLCDFICSA-N 1 3 229.324 -0.833 20 0 BBADHO CNC(=O)C[C@@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336764492 173280633 /nfs/dbraw/zinc/28/06/33/173280633.db2.gz NGHKLAXJNYRRPD-KOLCDFICSA-N 1 3 229.324 -0.833 20 0 BBADHO CNC(=O)C[C@@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000336764493 173280823 /nfs/dbraw/zinc/28/08/23/173280823.db2.gz NGHKLAXJNYRRPD-MWLCHTKSSA-N 1 3 229.324 -0.833 20 0 BBADHO CNC(=O)C[C@@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000336764493 173280822 /nfs/dbraw/zinc/28/08/22/173280822.db2.gz NGHKLAXJNYRRPD-MWLCHTKSSA-N 1 3 229.324 -0.833 20 0 BBADHO CNC(=O)C[C@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000336764494 173282244 /nfs/dbraw/zinc/28/22/44/173282244.db2.gz NGHKLAXJNYRRPD-ONGXEEELSA-N 1 3 229.324 -0.833 20 0 BBADHO CNC(=O)C[C@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336764494 173282243 /nfs/dbraw/zinc/28/22/43/173282243.db2.gz NGHKLAXJNYRRPD-ONGXEEELSA-N 1 3 229.324 -0.833 20 0 BBADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H](O)CN(C)C ZINC000336768640 176276580 /nfs/dbraw/zinc/27/65/80/176276580.db2.gz UUFJPZYEKWKOCI-GMTAPVOTSA-N 1 3 215.341 -0.551 20 0 BBADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](O)CN(C)C ZINC000336768641 176273699 /nfs/dbraw/zinc/27/36/99/176273699.db2.gz UUFJPZYEKWKOCI-MXWKQRLJSA-N 1 3 215.341 -0.551 20 0 BBADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H](O)CN(C)C ZINC000336768642 176277227 /nfs/dbraw/zinc/27/72/27/176277227.db2.gz UUFJPZYEKWKOCI-OUAUKWLOSA-N 1 3 215.341 -0.551 20 0 BBADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H](O)CN(C)C ZINC000336768643 176273522 /nfs/dbraw/zinc/27/35/22/176273522.db2.gz UUFJPZYEKWKOCI-VWYCJHECSA-N 1 3 215.341 -0.551 20 0 BBADHO C[C@H](CC(N)=O)[NH2+]CCOCCN(C)C ZINC000336772234 386078351 /nfs/dbraw/zinc/07/83/51/386078351.db2.gz XYEJVQQSZRHTDK-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO C[C@@H](CC(N)=O)[NH2+]CCOCCN(C)C ZINC000336772235 175652634 /nfs/dbraw/zinc/65/26/34/175652634.db2.gz XYEJVQQSZRHTDK-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO CCN(CC)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000337381667 385623094 /nfs/dbraw/zinc/62/30/94/385623094.db2.gz CLIPGNSVISRJDS-GFCCVEGCSA-N 1 3 243.351 -0.489 20 0 BBADHO CCN(CC)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000337381667 385623090 /nfs/dbraw/zinc/62/30/90/385623090.db2.gz CLIPGNSVISRJDS-GFCCVEGCSA-N 1 3 243.351 -0.489 20 0 BBADHO CCN(CC)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000337381669 385622729 /nfs/dbraw/zinc/62/27/29/385622729.db2.gz CLIPGNSVISRJDS-LBPRGKRZSA-N 1 3 243.351 -0.489 20 0 BBADHO CCN(CC)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000337381669 385622726 /nfs/dbraw/zinc/62/27/26/385622726.db2.gz CLIPGNSVISRJDS-LBPRGKRZSA-N 1 3 243.351 -0.489 20 0 BBADHO CCCN(C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337444685 169071590 /nfs/dbraw/zinc/07/15/90/169071590.db2.gz HUGLOGXTSONJNC-GFCCVEGCSA-N 1 3 245.367 -0.243 20 0 BBADHO CCCN(C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337444686 169072613 /nfs/dbraw/zinc/07/26/13/169072613.db2.gz HUGLOGXTSONJNC-LBPRGKRZSA-N 1 3 245.367 -0.243 20 0 BBADHO C[NH+](C)CCCNC(=O)[C@H](N)C1CCOCC1 ZINC000337798162 385791286 /nfs/dbraw/zinc/79/12/86/385791286.db2.gz GMDCDWHOYIPUMK-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO C[NH+](C)CCCNC(=O)[C@@H](N)C1CCOCC1 ZINC000337798163 385791502 /nfs/dbraw/zinc/79/15/02/385791502.db2.gz GMDCDWHOYIPUMK-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[N@@H+](C)CCNC(=O)[C@H]1CCCN1C ZINC000339244794 174277231 /nfs/dbraw/zinc/27/72/31/174277231.db2.gz DQTXIQKIYMDSDG-LLVKDONJSA-N 1 3 243.351 -0.225 20 0 BBADHO COCC[N@H+](C)CCNC(=O)[C@H]1CCCN1C ZINC000339244794 174277230 /nfs/dbraw/zinc/27/72/30/174277230.db2.gz DQTXIQKIYMDSDG-LLVKDONJSA-N 1 3 243.351 -0.225 20 0 BBADHO COCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C ZINC000339244795 174277158 /nfs/dbraw/zinc/27/71/58/174277158.db2.gz DQTXIQKIYMDSDG-NSHDSACASA-N 1 3 243.351 -0.225 20 0 BBADHO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1C ZINC000339244795 174277156 /nfs/dbraw/zinc/27/71/56/174277156.db2.gz DQTXIQKIYMDSDG-NSHDSACASA-N 1 3 243.351 -0.225 20 0 BBADHO CCN1CCN(C[C@@H](C)CNC(N)=[NH2+])CC1 ZINC000340032489 350935294 /nfs/dbraw/zinc/93/52/94/350935294.db2.gz FHGAVAVVCYQFTC-JTQLQIEISA-N 1 3 227.356 -0.257 20 0 BBADHO CCN1CCN(C[C@H](C)CNC(N)=[NH2+])CC1 ZINC000340032492 350935351 /nfs/dbraw/zinc/93/53/51/350935351.db2.gz FHGAVAVVCYQFTC-SNVBAGLBSA-N 1 3 227.356 -0.257 20 0 BBADHO NC(=[NH2+])NC[C@@H](O)CN1CCCCC1 ZINC000340032940 181188954 /nfs/dbraw/zinc/18/89/54/181188954.db2.gz OSVSUYMDJXGWAL-MRVPVSSYSA-N 1 3 200.286 -0.684 20 0 BBADHO NC(=[NH2+])NC[C@H](O)CN1CCCCC1 ZINC000340032941 181190056 /nfs/dbraw/zinc/19/00/56/181190056.db2.gz OSVSUYMDJXGWAL-QMMMGPOBSA-N 1 3 200.286 -0.684 20 0 BBADHO O[C@H](CNC1=[NH+]CCCN1)CN1CCCCC1 ZINC000340034491 183223242 /nfs/dbraw/zinc/22/32/42/183223242.db2.gz YEBXHEQZWLGWNF-LLVKDONJSA-N 1 3 240.351 -0.228 20 0 BBADHO O[C@@H](CNC1=[NH+]CCCN1)CN1CCCCC1 ZINC000340034492 183178363 /nfs/dbraw/zinc/17/83/63/183178363.db2.gz YEBXHEQZWLGWNF-NSHDSACASA-N 1 3 240.351 -0.228 20 0 BBADHO COCCN(C)CCCNC1=[NH+]CCCN1 ZINC000340036728 174275422 /nfs/dbraw/zinc/27/54/22/174275422.db2.gz AUMVAOGNNAAIKB-UHFFFAOYSA-N 1 3 228.340 -0.106 20 0 BBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(N)=[NH2+] ZINC000340037937 172386740 /nfs/dbraw/zinc/38/67/40/172386740.db2.gz SNFMABSRAUTEBF-SECBINFHSA-N 1 3 241.339 -0.588 20 0 BBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(N)=[NH2+] ZINC000340037939 172384174 /nfs/dbraw/zinc/38/41/74/172384174.db2.gz SNFMABSRAUTEBF-VIFPVBQESA-N 1 3 241.339 -0.588 20 0 BBADHO COCCC[NH+]1CCC(NC(=O)[C@H](C)N)CC1 ZINC000340176488 174228789 /nfs/dbraw/zinc/22/87/89/174228789.db2.gz FWQHQDOTFDLPIL-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO COCCC[NH+]1CCC(NC(=O)[C@@H](C)N)CC1 ZINC000340176489 174229365 /nfs/dbraw/zinc/22/93/65/174229365.db2.gz FWQHQDOTFDLPIL-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN(C)CCCNC(=O)C[C@H](C)[NH3+] ZINC000340181537 174275829 /nfs/dbraw/zinc/27/58/29/174275829.db2.gz ULZCWHFZZPUZGZ-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO COCCN(C)CCCNC(=O)C[C@@H](C)[NH3+] ZINC000340181538 174275056 /nfs/dbraw/zinc/27/50/56/174275056.db2.gz ULZCWHFZZPUZGZ-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO COCCCN(C)CCNC(=O)C[C@H](C)[NH3+] ZINC000340183783 174216536 /nfs/dbraw/zinc/21/65/36/174216536.db2.gz DMARMQJOOJZYMW-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO COCCCN(C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000340183784 174216426 /nfs/dbraw/zinc/21/64/26/174216426.db2.gz DMARMQJOOJZYMW-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO C[C@@H]([NH3+])C(=O)N(C)CCCN1CCN(C)CC1 ZINC000340187662 385840483 /nfs/dbraw/zinc/84/04/83/385840483.db2.gz ZNUDJMQVXQPSBZ-LLVKDONJSA-N 1 3 242.367 -0.571 20 0 BBADHO C[C@H]([NH3+])C(=O)N(C)CCCN1CCN(C)CC1 ZINC000340187692 385841015 /nfs/dbraw/zinc/84/10/15/385841015.db2.gz ZNUDJMQVXQPSBZ-NSHDSACASA-N 1 3 242.367 -0.571 20 0 BBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(C)C ZINC000340954281 176275705 /nfs/dbraw/zinc/27/57/05/176275705.db2.gz RABOBBYNYXTQSY-NXEZZACHSA-N 1 3 213.325 -0.138 20 0 BBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(C)C ZINC000340954281 176275704 /nfs/dbraw/zinc/27/57/04/176275704.db2.gz RABOBBYNYXTQSY-NXEZZACHSA-N 1 3 213.325 -0.138 20 0 BBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(C)C ZINC000340954299 177234974 /nfs/dbraw/zinc/23/49/74/177234974.db2.gz RABOBBYNYXTQSY-UWVGGRQHSA-N 1 3 213.325 -0.138 20 0 BBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(C)C ZINC000340954299 177234972 /nfs/dbraw/zinc/23/49/72/177234972.db2.gz RABOBBYNYXTQSY-UWVGGRQHSA-N 1 3 213.325 -0.138 20 0 BBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(C)C ZINC000340954301 177237851 /nfs/dbraw/zinc/23/78/51/177237851.db2.gz RABOBBYNYXTQSY-VHSXEESVSA-N 1 3 213.325 -0.138 20 0 BBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(C)C ZINC000340954301 177237850 /nfs/dbraw/zinc/23/78/50/177237850.db2.gz RABOBBYNYXTQSY-VHSXEESVSA-N 1 3 213.325 -0.138 20 0 BBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(C)C ZINC000340954303 176272644 /nfs/dbraw/zinc/27/26/44/176272644.db2.gz RABOBBYNYXTQSY-ZJUUUORDSA-N 1 3 213.325 -0.138 20 0 BBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(C)C ZINC000340954303 176272642 /nfs/dbraw/zinc/27/26/42/176272642.db2.gz RABOBBYNYXTQSY-ZJUUUORDSA-N 1 3 213.325 -0.138 20 0 BBADHO NC1(C[NH2+]CCN2C(=O)CCC2=O)CCC1 ZINC000342142423 181332365 /nfs/dbraw/zinc/33/23/65/181332365.db2.gz QBUBKXZIFWGCJR-UHFFFAOYSA-N 1 3 225.292 -0.394 20 0 BBADHO COC(=O)CC[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000342650556 135307176 /nfs/dbraw/zinc/30/71/76/135307176.db2.gz LNZFVRRVPDTXAT-SECBINFHSA-N 1 3 245.323 -0.665 20 0 BBADHO COC(=O)CC[C@H](N)C(=O)NCCC[NH+](C)C ZINC000342650561 135307462 /nfs/dbraw/zinc/30/74/62/135307462.db2.gz LNZFVRRVPDTXAT-VIFPVBQESA-N 1 3 245.323 -0.665 20 0 BBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000342707594 135313170 /nfs/dbraw/zinc/31/31/70/135313170.db2.gz NBJUXRAUTMTMMU-BDAKNGLRSA-N 1 3 245.323 -0.667 20 0 BBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000342707604 536459322 /nfs/dbraw/zinc/45/93/22/536459322.db2.gz NBJUXRAUTMTMMU-DTWKUNHWSA-N 1 3 245.323 -0.667 20 0 BBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000342707605 135312860 /nfs/dbraw/zinc/31/28/60/135312860.db2.gz NBJUXRAUTMTMMU-IUCAKERBSA-N 1 3 245.323 -0.667 20 0 BBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000342707607 536459790 /nfs/dbraw/zinc/45/97/90/536459790.db2.gz NBJUXRAUTMTMMU-RKDXNWHRSA-N 1 3 245.323 -0.667 20 0 BBADHO CC[N@@H+](C)CCNC(=O)[C@H](N)CCC(=O)OC ZINC000342712451 135313581 /nfs/dbraw/zinc/31/35/81/135313581.db2.gz SDHLVIQFHUYQJI-SECBINFHSA-N 1 3 245.323 -0.665 20 0 BBADHO CC[N@H+](C)CCNC(=O)[C@H](N)CCC(=O)OC ZINC000342712451 135313579 /nfs/dbraw/zinc/31/35/79/135313579.db2.gz SDHLVIQFHUYQJI-SECBINFHSA-N 1 3 245.323 -0.665 20 0 BBADHO CC[N@@H+](C)CCNC(=O)[C@@H](N)CCC(=O)OC ZINC000342712452 135313548 /nfs/dbraw/zinc/31/35/48/135313548.db2.gz SDHLVIQFHUYQJI-VIFPVBQESA-N 1 3 245.323 -0.665 20 0 BBADHO CC[N@H+](C)CCNC(=O)[C@@H](N)CCC(=O)OC ZINC000342712452 135313547 /nfs/dbraw/zinc/31/35/47/135313547.db2.gz SDHLVIQFHUYQJI-VIFPVBQESA-N 1 3 245.323 -0.665 20 0 BBADHO C[C@@]1(CNC(=O)COC2CNC2)CCC[NH2+]C1 ZINC000342734555 135316439 /nfs/dbraw/zinc/31/64/39/135316439.db2.gz LURRDZHMEVWTCP-GFCCVEGCSA-N 1 3 241.335 -0.519 20 0 BBADHO C[C@]1(CNC(=O)COC2CNC2)CCC[NH2+]C1 ZINC000342734558 135316976 /nfs/dbraw/zinc/31/69/76/135316976.db2.gz LURRDZHMEVWTCP-LBPRGKRZSA-N 1 3 241.335 -0.519 20 0 BBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CNC[C@H]1CCCO1 ZINC000343614234 353933776 /nfs/dbraw/zinc/93/37/76/353933776.db2.gz ZIBNUSYVMUVBJW-GMTAPVOTSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CNC[C@H]1CCCO1 ZINC000343614235 353933618 /nfs/dbraw/zinc/93/36/18/353933618.db2.gz ZIBNUSYVMUVBJW-MXWKQRLJSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CNC[C@@H]1CCCO1 ZINC000343614236 353933573 /nfs/dbraw/zinc/93/35/73/353933573.db2.gz ZIBNUSYVMUVBJW-OUAUKWLOSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CNC[C@@H]1CCCO1 ZINC000343614237 353933822 /nfs/dbraw/zinc/93/38/22/353933822.db2.gz ZIBNUSYVMUVBJW-VWYCJHECSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CNCCO1 ZINC000343643242 353952053 /nfs/dbraw/zinc/95/20/53/353952053.db2.gz PVBFIFWAEHRWGQ-BBBLOLIVSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1CNCCO1 ZINC000343643244 353952034 /nfs/dbraw/zinc/95/20/34/353952034.db2.gz PVBFIFWAEHRWGQ-KXUCPTDWSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1CNCCO1 ZINC000343643246 353952014 /nfs/dbraw/zinc/95/20/14/353952014.db2.gz PVBFIFWAEHRWGQ-OPRDCNLKSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CNCCO1 ZINC000343643248 353951860 /nfs/dbraw/zinc/95/18/60/353951860.db2.gz PVBFIFWAEHRWGQ-UTLUCORTSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCOC1CNC1 ZINC000343692254 353964930 /nfs/dbraw/zinc/96/49/30/353964930.db2.gz ULHYSCXSTXGWMB-PSASIEDQSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCOC1CNC1 ZINC000343692256 353965320 /nfs/dbraw/zinc/96/53/20/353965320.db2.gz ULHYSCXSTXGWMB-SCZZXKLOSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCOC1CNC1 ZINC000343692257 353965286 /nfs/dbraw/zinc/96/52/86/353965286.db2.gz ULHYSCXSTXGWMB-WCBMZHEXSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCOC1CNC1 ZINC000343692260 353964914 /nfs/dbraw/zinc/96/49/14/353964914.db2.gz ULHYSCXSTXGWMB-WPRPVWTQSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1CN(C)C[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000343693733 353965942 /nfs/dbraw/zinc/96/59/42/353965942.db2.gz NEINOUJPXGHFRA-AGIUHOORSA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@@H]1CN(C)C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000343693735 353965918 /nfs/dbraw/zinc/96/59/18/353965918.db2.gz NEINOUJPXGHFRA-FRRDWIJNSA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@@H]1CN(C)C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000343693736 353965934 /nfs/dbraw/zinc/96/59/34/353965934.db2.gz NEINOUJPXGHFRA-JHJVBQTASA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@@H]1CN(C)C[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000343693737 353965706 /nfs/dbraw/zinc/96/57/06/353965706.db2.gz NEINOUJPXGHFRA-UPJWGTAASA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@@H]1CN(CCO)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343930171 354044784 /nfs/dbraw/zinc/04/47/84/354044784.db2.gz YVSXGMHWGAVRDC-CHWSQXEVSA-N 1 3 241.379 -0.064 20 0 BBADHO C[C@@H]1CN(CCO)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343930172 354045821 /nfs/dbraw/zinc/04/58/21/354045821.db2.gz YVSXGMHWGAVRDC-OLZOCXBDSA-N 1 3 241.379 -0.064 20 0 BBADHO C[C@H]1CN(CCO)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343930173 354045925 /nfs/dbraw/zinc/04/59/25/354045925.db2.gz YVSXGMHWGAVRDC-QWHCGFSZSA-N 1 3 241.379 -0.064 20 0 BBADHO C[C@H]1CN(CCO)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343930174 354046058 /nfs/dbraw/zinc/04/60/58/354046058.db2.gz YVSXGMHWGAVRDC-STQMWFEESA-N 1 3 241.379 -0.064 20 0 BBADHO CN(CCCN(C)CC(N)=O)CC[NH+](C)C ZINC000344032450 354095688 /nfs/dbraw/zinc/09/56/88/354095688.db2.gz QAGAYMUUACBVFN-UHFFFAOYSA-N 1 3 230.356 -0.713 20 0 BBADHO CN(C)CCN(C)CCC[N@@H+](C)CCO ZINC000344033876 354097335 /nfs/dbraw/zinc/09/73/35/354097335.db2.gz QYXYSFZYLQWLJZ-UHFFFAOYSA-N 1 3 217.357 -0.206 20 0 BBADHO CN(C)CCN(C)CCC[N@H+](C)CCO ZINC000344033876 354097332 /nfs/dbraw/zinc/09/73/32/354097332.db2.gz QYXYSFZYLQWLJZ-UHFFFAOYSA-N 1 3 217.357 -0.206 20 0 BBADHO C[C@H](C(N)=O)N(C)CCCN(C)CC[NH+](C)C ZINC000344048856 354122308 /nfs/dbraw/zinc/12/23/08/354122308.db2.gz ZFDJTVLOVWYKCF-LLVKDONJSA-N 1 3 244.383 -0.325 20 0 BBADHO C[C@@H](C(N)=O)N(C)CCCN(C)CC[NH+](C)C ZINC000344048876 354122123 /nfs/dbraw/zinc/12/21/23/354122123.db2.gz ZFDJTVLOVWYKCF-NSHDSACASA-N 1 3 244.383 -0.325 20 0 BBADHO COCCN1CC[C@@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000344130913 354148982 /nfs/dbraw/zinc/14/89/82/354148982.db2.gz ILHXUGQDRHNWHU-NEPJUHHUSA-N 1 3 245.367 -0.781 20 0 BBADHO COCCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C)C1 ZINC000344130913 354148976 /nfs/dbraw/zinc/14/89/76/354148976.db2.gz ILHXUGQDRHNWHU-NEPJUHHUSA-N 1 3 245.367 -0.781 20 0 BBADHO COCCN1CC[C@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000344130915 354149041 /nfs/dbraw/zinc/14/90/41/354149041.db2.gz ILHXUGQDRHNWHU-NWDGAFQWSA-N 1 3 245.367 -0.781 20 0 BBADHO COCCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C)C1 ZINC000344130915 354149038 /nfs/dbraw/zinc/14/90/38/354149038.db2.gz ILHXUGQDRHNWHU-NWDGAFQWSA-N 1 3 245.367 -0.781 20 0 BBADHO COCCN1CC[C@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000344130916 354148329 /nfs/dbraw/zinc/14/83/29/354148329.db2.gz ILHXUGQDRHNWHU-RYUDHWBXSA-N 1 3 245.367 -0.781 20 0 BBADHO COCCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C)C1 ZINC000344130916 354148328 /nfs/dbraw/zinc/14/83/28/354148328.db2.gz ILHXUGQDRHNWHU-RYUDHWBXSA-N 1 3 245.367 -0.781 20 0 BBADHO COCCN1CC[C@@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000344130918 354148817 /nfs/dbraw/zinc/14/88/17/354148817.db2.gz ILHXUGQDRHNWHU-VXGBXAGGSA-N 1 3 245.367 -0.781 20 0 BBADHO COCCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)C1 ZINC000344130918 354148811 /nfs/dbraw/zinc/14/88/11/354148811.db2.gz ILHXUGQDRHNWHU-VXGBXAGGSA-N 1 3 245.367 -0.781 20 0 BBADHO CC1CCN(C[C@H](O)CNC(N)=[NH2+])CC1 ZINC000344530596 354281157 /nfs/dbraw/zinc/28/11/57/354281157.db2.gz KFPOYKGCERLLDR-SECBINFHSA-N 1 3 214.313 -0.438 20 0 BBADHO CC1CCN(C[C@@H](O)CNC(N)=[NH2+])CC1 ZINC000344530598 354280744 /nfs/dbraw/zinc/28/07/44/354280744.db2.gz KFPOYKGCERLLDR-VIFPVBQESA-N 1 3 214.313 -0.438 20 0 BBADHO Cn1nccc1CNCC1(O)CC[NH+](C)CC1 ZINC000344556973 388507958 /nfs/dbraw/zinc/50/79/58/388507958.db2.gz TZSAJGVVQGORNQ-UHFFFAOYSA-N 1 3 238.335 -0.034 20 0 BBADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000344558820 354295895 /nfs/dbraw/zinc/29/58/95/354295895.db2.gz YZUCGNBBLQSWQR-NEPJUHHUSA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@H]1CN(C)C[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000344558821 354295821 /nfs/dbraw/zinc/29/58/21/354295821.db2.gz YZUCGNBBLQSWQR-NWDGAFQWSA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000344558823 354296011 /nfs/dbraw/zinc/29/60/11/354296011.db2.gz YZUCGNBBLQSWQR-RYUDHWBXSA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000344558825 354295811 /nfs/dbraw/zinc/29/58/11/354295811.db2.gz YZUCGNBBLQSWQR-VXGBXAGGSA-N 1 3 241.379 -0.017 20 0 BBADHO CN(C)CCN(C)CCCNC1=[NH+]CCCN1 ZINC000345202955 386057477 /nfs/dbraw/zinc/05/74/77/386057477.db2.gz RJIUHFMVCKMDFU-UHFFFAOYSA-N 1 3 241.383 -0.191 20 0 BBADHO CN(C)CCN(C)CCCNC(N)=[NH2+] ZINC000345209120 386060798 /nfs/dbraw/zinc/06/07/98/386060798.db2.gz WZCJJEYBBKNFEM-UHFFFAOYSA-N 1 3 201.318 -0.647 20 0 BBADHO COCCN(CC1CC[NH2+]CC1)[C@@H](C)C(N)=O ZINC000346820701 355125141 /nfs/dbraw/zinc/12/51/41/355125141.db2.gz DDJKNVWMYGKMTR-JTQLQIEISA-N 1 3 243.351 -0.192 20 0 BBADHO COCCN(CC1CC[NH2+]CC1)[C@H](C)C(N)=O ZINC000346820702 355125119 /nfs/dbraw/zinc/12/51/19/355125119.db2.gz DDJKNVWMYGKMTR-SNVBAGLBSA-N 1 3 243.351 -0.192 20 0 BBADHO CNC(=O)[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346972449 355208553 /nfs/dbraw/zinc/20/85/53/355208553.db2.gz HKQLQMZIVUTYHB-LLVKDONJSA-N 1 3 241.335 -0.567 20 0 BBADHO CNC(=O)[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346972452 355208276 /nfs/dbraw/zinc/20/82/76/355208276.db2.gz HKQLQMZIVUTYHB-NSHDSACASA-N 1 3 241.335 -0.567 20 0 BBADHO CCN1CCN(CCC(=O)N[C@H](C)C[NH3+])CC1 ZINC000347649712 535682919 /nfs/dbraw/zinc/68/29/19/535682919.db2.gz PRXREZWXNWOQEW-LLVKDONJSA-N 1 3 242.367 -0.523 20 0 BBADHO CCN1CCN(CCC(=O)N[C@@H](C)C[NH3+])CC1 ZINC000347649714 535681088 /nfs/dbraw/zinc/68/10/88/535681088.db2.gz PRXREZWXNWOQEW-NSHDSACASA-N 1 3 242.367 -0.523 20 0 BBADHO CN1CCCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000347655161 136001898 /nfs/dbraw/zinc/00/18/98/136001898.db2.gz OQJHTMNBHULKJJ-UHFFFAOYSA-N 1 3 241.335 -0.471 20 0 BBADHO CCCN(C)CC(=O)NCC[N@@H+](CC)CCO ZINC000347795120 136010210 /nfs/dbraw/zinc/01/02/10/136010210.db2.gz DNBHKXGYLVWBET-UHFFFAOYSA-N 1 3 245.367 -0.241 20 0 BBADHO CCCN(C)CC(=O)NCC[N@H+](CC)CCO ZINC000347795120 136010209 /nfs/dbraw/zinc/01/02/09/136010209.db2.gz DNBHKXGYLVWBET-UHFFFAOYSA-N 1 3 245.367 -0.241 20 0 BBADHO Cc1nccn1CCC[N@@H+](CCN)CCO ZINC000348755652 136297525 /nfs/dbraw/zinc/29/75/25/136297525.db2.gz IGROVPYHCCMPGI-UHFFFAOYSA-N 1 3 226.324 -0.165 20 0 BBADHO Cc1nccn1CCC[N@H+](CCN)CCO ZINC000348755652 136297524 /nfs/dbraw/zinc/29/75/24/136297524.db2.gz IGROVPYHCCMPGI-UHFFFAOYSA-N 1 3 226.324 -0.165 20 0 BBADHO C[NH+](C)CCCCNC(=O)CCOC1CNC1 ZINC000348986148 355335703 /nfs/dbraw/zinc/33/57/03/355335703.db2.gz BIJBQVZBPWTIRA-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO CC[NH+](CC)CCNC(=O)CCOC1CNC1 ZINC000348987134 355336898 /nfs/dbraw/zinc/33/68/98/355336898.db2.gz DUSIOQUSQUAERH-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH+](C)CCCNC(=O)CCOC1CNC1 ZINC000348987347 355336598 /nfs/dbraw/zinc/33/65/98/355336598.db2.gz FTLKIVRNMKFFNT-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CN1CCC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348988627 355336981 /nfs/dbraw/zinc/33/69/81/355336981.db2.gz BNTRWRJYEFICMQ-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348988628 355336797 /nfs/dbraw/zinc/33/67/97/355336797.db2.gz BNTRWRJYEFICMQ-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@H](CNC(=O)CCOC1C[NH2+]C1)N(C)C ZINC000348992936 136314177 /nfs/dbraw/zinc/31/41/77/136314177.db2.gz PQHUCTYAVZWYQV-SECBINFHSA-N 1 3 229.324 -0.569 20 0 BBADHO C[C@H](CNC(=O)CCOC1CNC1)[NH+](C)C ZINC000348992936 136314176 /nfs/dbraw/zinc/31/41/76/136314176.db2.gz PQHUCTYAVZWYQV-SECBINFHSA-N 1 3 229.324 -0.569 20 0 BBADHO C[C@@H](CNC(=O)CCOC1C[NH2+]C1)N(C)C ZINC000348992941 136314430 /nfs/dbraw/zinc/31/44/30/136314430.db2.gz PQHUCTYAVZWYQV-VIFPVBQESA-N 1 3 229.324 -0.569 20 0 BBADHO C[C@@H](CNC(=O)CCOC1CNC1)[NH+](C)C ZINC000348992941 136314429 /nfs/dbraw/zinc/31/44/29/136314429.db2.gz PQHUCTYAVZWYQV-VIFPVBQESA-N 1 3 229.324 -0.569 20 0 BBADHO CC(C)[N@@H+](C)CCNC(=O)CCOC1CNC1 ZINC000348994295 136314234 /nfs/dbraw/zinc/31/42/34/136314234.db2.gz SLIHGUNEWQJJDA-UHFFFAOYSA-N 1 3 243.351 -0.179 20 0 BBADHO CC(C)[N@H+](C)CCNC(=O)CCOC1CNC1 ZINC000348994295 136314233 /nfs/dbraw/zinc/31/42/33/136314233.db2.gz SLIHGUNEWQJJDA-UHFFFAOYSA-N 1 3 243.351 -0.179 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000349000443 136315190 /nfs/dbraw/zinc/31/51/90/136315190.db2.gz NHNQBTDADSCHRA-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000349000443 136315189 /nfs/dbraw/zinc/31/51/89/136315189.db2.gz NHNQBTDADSCHRA-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)CCOC2CNC2)C1 ZINC000349000444 136314905 /nfs/dbraw/zinc/31/49/05/136314905.db2.gz NHNQBTDADSCHRA-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)CCOC2CNC2)C1 ZINC000349000444 136314904 /nfs/dbraw/zinc/31/49/04/136314904.db2.gz NHNQBTDADSCHRA-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO CN1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349003501 536341291 /nfs/dbraw/zinc/34/12/91/536341291.db2.gz QTHRELGBMGDDED-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH+](C)C(C)(C)CNC(=O)CCOC1CNC1 ZINC000349008953 536109063 /nfs/dbraw/zinc/10/90/63/536109063.db2.gz WWWLBVPSYABANR-UHFFFAOYSA-N 1 3 243.351 -0.179 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)CCOC1CNC1 ZINC000349024391 136317627 /nfs/dbraw/zinc/31/76/27/136317627.db2.gz DUXDKHCAGJPNSH-UHFFFAOYSA-N 1 3 243.351 -0.001 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)CCOC1CNC1 ZINC000349025568 136318123 /nfs/dbraw/zinc/31/81/23/136318123.db2.gz HWVAVXPKXMUXSI-GFCCVEGCSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)CCOC1CNC1 ZINC000349025569 136318195 /nfs/dbraw/zinc/31/81/95/136318195.db2.gz HWVAVXPKXMUXSI-LBPRGKRZSA-N 1 3 243.351 -0.146 20 0 BBADHO CN(CCNC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000349027082 136318566 /nfs/dbraw/zinc/31/85/66/136318566.db2.gz LDHSBFRFSKQFAH-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)CCOC1CNC1 ZINC000349027122 136318855 /nfs/dbraw/zinc/31/88/55/136318855.db2.gz LPFMFBHUEXYJIV-JTQLQIEISA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)CCOC1CNC1 ZINC000349027123 136318514 /nfs/dbraw/zinc/31/85/14/136318514.db2.gz LPFMFBHUEXYJIV-SNVBAGLBSA-N 1 3 243.351 -0.146 20 0 BBADHO O=C(CCOC1C[NH2+]C1)NCCN1CCCC1 ZINC000349031272 136319871 /nfs/dbraw/zinc/31/98/71/136319871.db2.gz UVYURIVUAJREKA-UHFFFAOYSA-N 1 3 241.335 -0.423 20 0 BBADHO C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@H](C)N1 ZINC000349031274 136319970 /nfs/dbraw/zinc/31/99/70/136319970.db2.gz UWLIEDYCRRJPSC-AOOOYVTPSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@@H](C)N1 ZINC000349031275 136319948 /nfs/dbraw/zinc/31/99/48/136319948.db2.gz UWLIEDYCRRJPSC-NXEZZACHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@H](C)N1 ZINC000349031276 136320120 /nfs/dbraw/zinc/32/01/20/136320120.db2.gz UWLIEDYCRRJPSC-UWVGGRQHSA-N 1 3 241.335 -0.426 20 0 BBADHO [NH3+]CC1(NC(=O)CCOC2CNC2)CCCC1 ZINC000349031833 136319746 /nfs/dbraw/zinc/31/97/46/136319746.db2.gz WGDFCBSNECAMJT-UHFFFAOYSA-N 1 3 241.335 -0.247 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)CCOC1CNC1 ZINC000349047418 535353306 /nfs/dbraw/zinc/35/33/06/535353306.db2.gz GOIAFRUPOIBUPQ-JTQLQIEISA-N 1 3 243.351 -0.001 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)CCOC1CNC1 ZINC000349047419 136320969 /nfs/dbraw/zinc/32/09/69/136320969.db2.gz GOIAFRUPOIBUPQ-SNVBAGLBSA-N 1 3 243.351 -0.001 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)CCOC1CNC1 ZINC000349051394 136321135 /nfs/dbraw/zinc/32/11/35/136321135.db2.gz KIBYJPHOCPRSRT-UHFFFAOYSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)CCOC1CNC1 ZINC000349055893 136321613 /nfs/dbraw/zinc/32/16/13/136321613.db2.gz PMFSDECOFVXHBF-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)CCOC1CNC1 ZINC000349055894 136321394 /nfs/dbraw/zinc/32/13/94/136321394.db2.gz PMFSDECOFVXHBF-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)CCOC1CNC1 ZINC000349057866 136321431 /nfs/dbraw/zinc/32/14/31/136321431.db2.gz RYKJEDVFCCOIRY-UHFFFAOYSA-N 1 3 243.351 -0.192 20 0 BBADHO CCN(C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000349063637 355339001 /nfs/dbraw/zinc/33/90/01/355339001.db2.gz YVGXCGLIKFRLBC-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CC[N@@H+](C)CCNC(=O)CCOC1CNC1 ZINC000349063637 355338999 /nfs/dbraw/zinc/33/89/99/355338999.db2.gz YVGXCGLIKFRLBC-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CC[N@H+](C)CCNC(=O)CCOC1CNC1 ZINC000349063637 355338996 /nfs/dbraw/zinc/33/89/96/355338996.db2.gz YVGXCGLIKFRLBC-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CCCN(C)CC(=O)NCC[NH2+]CCOC ZINC000349211409 136331959 /nfs/dbraw/zinc/33/19/59/136331959.db2.gz XQNQECCYSULBCN-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO C[NH+](C)CCCNC(=O)C(N)C(F)(F)F ZINC000352997654 386987691 /nfs/dbraw/zinc/98/76/91/386987691.db2.gz BAIPRFKJYNIDTH-LURJTMIESA-N 1 3 227.230 -0.056 20 0 BBADHO C[NH+](C)CCCNC(=O)C(N)C(F)(F)F ZINC000352997655 386986301 /nfs/dbraw/zinc/98/63/01/386986301.db2.gz BAIPRFKJYNIDTH-ZCFIWIBFSA-N 1 3 227.230 -0.056 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000353160471 387148927 /nfs/dbraw/zinc/14/89/27/387148927.db2.gz DPSSHSKBRLHNTO-GHMZBOCLSA-N 1 3 243.351 -0.016 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000353160474 387148539 /nfs/dbraw/zinc/14/85/39/387148539.db2.gz DPSSHSKBRLHNTO-MNOVXSKESA-N 1 3 243.351 -0.016 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000353160475 387148416 /nfs/dbraw/zinc/14/84/16/387148416.db2.gz DPSSHSKBRLHNTO-QWRGUYRKSA-N 1 3 243.351 -0.016 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000353160476 387147846 /nfs/dbraw/zinc/14/78/46/387147846.db2.gz DPSSHSKBRLHNTO-WDEREUQCSA-N 1 3 243.351 -0.016 20 0 BBADHO COCC[N@@H+](C)CCCNC(=O)[C@H](CN)OC ZINC000353422130 174275746 /nfs/dbraw/zinc/27/57/46/174275746.db2.gz ATCFVFZMNUXAMN-JTQLQIEISA-N 1 3 247.339 -0.955 20 0 BBADHO COCC[N@H+](C)CCCNC(=O)[C@H](CN)OC ZINC000353422130 174275745 /nfs/dbraw/zinc/27/57/45/174275745.db2.gz ATCFVFZMNUXAMN-JTQLQIEISA-N 1 3 247.339 -0.955 20 0 BBADHO COCC[N@@H+](C)CCCNC(=O)[C@@H](CN)OC ZINC000353422131 174275295 /nfs/dbraw/zinc/27/52/95/174275295.db2.gz ATCFVFZMNUXAMN-SNVBAGLBSA-N 1 3 247.339 -0.955 20 0 BBADHO COCC[N@H+](C)CCCNC(=O)[C@@H](CN)OC ZINC000353422131 174275294 /nfs/dbraw/zinc/27/52/94/174275294.db2.gz ATCFVFZMNUXAMN-SNVBAGLBSA-N 1 3 247.339 -0.955 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)C(N)C(F)(F)F)C1 ZINC000353426606 173115045 /nfs/dbraw/zinc/11/50/45/173115045.db2.gz NBFDDYQMGAAARP-BQBZGAKWSA-N 1 3 239.241 -0.056 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)C(N)C(F)(F)F)C1 ZINC000353426606 173115041 /nfs/dbraw/zinc/11/50/41/173115041.db2.gz NBFDDYQMGAAARP-BQBZGAKWSA-N 1 3 239.241 -0.056 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)C(N)C(F)(F)F)C1 ZINC000353426608 173114493 /nfs/dbraw/zinc/11/44/93/173114493.db2.gz NBFDDYQMGAAARP-NKWVEPMBSA-N 1 3 239.241 -0.056 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)C(N)C(F)(F)F)C1 ZINC000353426608 173114492 /nfs/dbraw/zinc/11/44/92/173114492.db2.gz NBFDDYQMGAAARP-NKWVEPMBSA-N 1 3 239.241 -0.056 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)C(N)C(F)(F)F)C1 ZINC000353426610 173144517 /nfs/dbraw/zinc/14/45/17/173144517.db2.gz NBFDDYQMGAAARP-RNFRBKRXSA-N 1 3 239.241 -0.056 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)C(N)C(F)(F)F)C1 ZINC000353426610 173144516 /nfs/dbraw/zinc/14/45/16/173144516.db2.gz NBFDDYQMGAAARP-RNFRBKRXSA-N 1 3 239.241 -0.056 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)C(N)C(F)(F)F)C1 ZINC000353426611 173145105 /nfs/dbraw/zinc/14/51/05/173145105.db2.gz NBFDDYQMGAAARP-RQJHMYQMSA-N 1 3 239.241 -0.056 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)C(N)C(F)(F)F)C1 ZINC000353426611 173145104 /nfs/dbraw/zinc/14/51/04/173145104.db2.gz NBFDDYQMGAAARP-RQJHMYQMSA-N 1 3 239.241 -0.056 20 0 BBADHO CC[N@@H+](CCNC(=O)[C@H](CN)OC)C(C)C ZINC000353441547 387202284 /nfs/dbraw/zinc/20/22/84/387202284.db2.gz AHOBWOSOFOHGCN-JTQLQIEISA-N 1 3 231.340 -0.193 20 0 BBADHO CC[N@H+](CCNC(=O)[C@H](CN)OC)C(C)C ZINC000353441547 387202281 /nfs/dbraw/zinc/20/22/81/387202281.db2.gz AHOBWOSOFOHGCN-JTQLQIEISA-N 1 3 231.340 -0.193 20 0 BBADHO CC[N@@H+](CCNC(=O)[C@@H](CN)OC)C(C)C ZINC000353441553 387202193 /nfs/dbraw/zinc/20/21/93/387202193.db2.gz AHOBWOSOFOHGCN-SNVBAGLBSA-N 1 3 231.340 -0.193 20 0 BBADHO CC[N@H+](CCNC(=O)[C@@H](CN)OC)C(C)C ZINC000353441553 387202191 /nfs/dbraw/zinc/20/21/91/387202191.db2.gz AHOBWOSOFOHGCN-SNVBAGLBSA-N 1 3 231.340 -0.193 20 0 BBADHO C[C@@H](CNC(=O)C(N)C(F)(F)F)[NH+](C)C ZINC000353446958 387205448 /nfs/dbraw/zinc/20/54/48/387205448.db2.gz KONCBBFKBAZFEF-NTSWFWBYSA-N 1 3 227.230 -0.058 20 0 BBADHO C[C@H](CNC(=O)C(N)C(F)(F)F)[NH+](C)C ZINC000353446978 387205237 /nfs/dbraw/zinc/20/52/37/387205237.db2.gz KONCBBFKBAZFEF-PHDIDXHHSA-N 1 3 227.230 -0.058 20 0 BBADHO C[C@H](CNC(=O)C(N)C(F)(F)F)[NH+](C)C ZINC000353446979 387205547 /nfs/dbraw/zinc/20/55/47/387205547.db2.gz KONCBBFKBAZFEF-RITPCOANSA-N 1 3 227.230 -0.058 20 0 BBADHO C[C@@H](CNC(=O)C(N)C(F)(F)F)[NH+](C)C ZINC000353446981 387205092 /nfs/dbraw/zinc/20/50/92/387205092.db2.gz KONCBBFKBAZFEF-WDSKDSINSA-N 1 3 227.230 -0.058 20 0 BBADHO CO[C@H](CN)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000353447783 387203919 /nfs/dbraw/zinc/20/39/19/387203919.db2.gz LQPCWWCNTOOJRZ-GHMZBOCLSA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@H](CN)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000353447783 387203915 /nfs/dbraw/zinc/20/39/15/387203915.db2.gz LQPCWWCNTOOJRZ-GHMZBOCLSA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000353447789 387205040 /nfs/dbraw/zinc/20/50/40/387205040.db2.gz LQPCWWCNTOOJRZ-MNOVXSKESA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000353447789 387205039 /nfs/dbraw/zinc/20/50/39/387205039.db2.gz LQPCWWCNTOOJRZ-MNOVXSKESA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000353447790 387203855 /nfs/dbraw/zinc/20/38/55/387203855.db2.gz LQPCWWCNTOOJRZ-QWRGUYRKSA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000353447790 387203850 /nfs/dbraw/zinc/20/38/50/387203850.db2.gz LQPCWWCNTOOJRZ-QWRGUYRKSA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@H](CN)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000353447791 387204447 /nfs/dbraw/zinc/20/44/47/387204447.db2.gz LQPCWWCNTOOJRZ-WDEREUQCSA-N 1 3 243.351 -0.240 20 0 BBADHO CO[C@H](CN)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000353447791 387204444 /nfs/dbraw/zinc/20/44/44/387204444.db2.gz LQPCWWCNTOOJRZ-WDEREUQCSA-N 1 3 243.351 -0.240 20 0 BBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CN)OC)C1 ZINC000353448497 387204867 /nfs/dbraw/zinc/20/48/67/387204867.db2.gz MSFPKZSRYXODAP-GHMZBOCLSA-N 1 3 243.351 -0.240 20 0 BBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CN)OC)C1 ZINC000353448497 387204866 /nfs/dbraw/zinc/20/48/66/387204866.db2.gz MSFPKZSRYXODAP-GHMZBOCLSA-N 1 3 243.351 -0.240 20 0 BBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000353448499 387204370 /nfs/dbraw/zinc/20/43/70/387204370.db2.gz MSFPKZSRYXODAP-MNOVXSKESA-N 1 3 243.351 -0.240 20 0 BBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000353448499 387204368 /nfs/dbraw/zinc/20/43/68/387204368.db2.gz MSFPKZSRYXODAP-MNOVXSKESA-N 1 3 243.351 -0.240 20 0 BBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000353448500 387204523 /nfs/dbraw/zinc/20/45/23/387204523.db2.gz MSFPKZSRYXODAP-QWRGUYRKSA-N 1 3 243.351 -0.240 20 0 BBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000353448500 387204521 /nfs/dbraw/zinc/20/45/21/387204521.db2.gz MSFPKZSRYXODAP-QWRGUYRKSA-N 1 3 243.351 -0.240 20 0 BBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CN)OC)C1 ZINC000353448502 387199005 /nfs/dbraw/zinc/19/90/05/387199005.db2.gz MSFPKZSRYXODAP-WDEREUQCSA-N 1 3 243.351 -0.240 20 0 BBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CN)OC)C1 ZINC000353448502 387198997 /nfs/dbraw/zinc/19/89/97/387198997.db2.gz MSFPKZSRYXODAP-WDEREUQCSA-N 1 3 243.351 -0.240 20 0 BBADHO CCCC[N@@H+](C)CCNC(=O)[C@H](CN)OC ZINC000353453818 387204337 /nfs/dbraw/zinc/20/43/37/387204337.db2.gz SEKZXKUKRHTYHT-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO CCCC[N@H+](C)CCNC(=O)[C@H](CN)OC ZINC000353453818 387204335 /nfs/dbraw/zinc/20/43/35/387204335.db2.gz SEKZXKUKRHTYHT-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000353453819 387204921 /nfs/dbraw/zinc/20/49/21/387204921.db2.gz SEKZXKUKRHTYHT-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CCCC[N@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000353453819 387204919 /nfs/dbraw/zinc/20/49/19/387204919.db2.gz SEKZXKUKRHTYHT-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000353454760 387204649 /nfs/dbraw/zinc/20/46/49/387204649.db2.gz VVKGNQHRUCGMDU-NXEZZACHSA-N 1 3 229.324 -0.584 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000353454761 387205301 /nfs/dbraw/zinc/20/53/01/387205301.db2.gz VVKGNQHRUCGMDU-UWVGGRQHSA-N 1 3 229.324 -0.584 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000353454762 174857990 /nfs/dbraw/zinc/85/79/90/174857990.db2.gz VVKGNQHRUCGMDU-VHSXEESVSA-N 1 3 229.324 -0.584 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000353454763 387204069 /nfs/dbraw/zinc/20/40/69/387204069.db2.gz VVKGNQHRUCGMDU-ZJUUUORDSA-N 1 3 229.324 -0.584 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(N)C(F)(F)F ZINC000353458254 176185340 /nfs/dbraw/zinc/18/53/40/176185340.db2.gz IWPADOFUQZGMMF-DSYKOEDSSA-N 1 3 239.241 -0.010 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(N)C(F)(F)F ZINC000353458255 176186357 /nfs/dbraw/zinc/18/63/57/176186357.db2.gz IWPADOFUQZGMMF-FSDSQADBSA-N 1 3 239.241 -0.010 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(N)C(F)(F)F ZINC000353458256 176186628 /nfs/dbraw/zinc/18/66/28/176186628.db2.gz IWPADOFUQZGMMF-QYNIQEEDSA-N 1 3 239.241 -0.010 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(N)C(F)(F)F ZINC000353458257 176185290 /nfs/dbraw/zinc/18/52/90/176185290.db2.gz IWPADOFUQZGMMF-VQVTYTSYSA-N 1 3 239.241 -0.010 20 0 BBADHO COCCC[N@@H+](C)CCNC(=O)[C@H](CN)OC ZINC000353464911 174215843 /nfs/dbraw/zinc/21/58/43/174215843.db2.gz YZKQWGQJXSFHBP-JTQLQIEISA-N 1 3 247.339 -0.955 20 0 BBADHO COCCC[N@H+](C)CCNC(=O)[C@H](CN)OC ZINC000353464911 174215842 /nfs/dbraw/zinc/21/58/42/174215842.db2.gz YZKQWGQJXSFHBP-JTQLQIEISA-N 1 3 247.339 -0.955 20 0 BBADHO COCCC[N@@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000353464914 174216053 /nfs/dbraw/zinc/21/60/53/174216053.db2.gz YZKQWGQJXSFHBP-SNVBAGLBSA-N 1 3 247.339 -0.955 20 0 BBADHO COCCC[N@H+](C)CCNC(=O)[C@@H](CN)OC ZINC000353464914 174216052 /nfs/dbraw/zinc/21/60/52/174216052.db2.gz YZKQWGQJXSFHBP-SNVBAGLBSA-N 1 3 247.339 -0.955 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353466794 387202841 /nfs/dbraw/zinc/20/28/41/387202841.db2.gz JKXACIZNUXBRAV-GARJFASQSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353466794 387202836 /nfs/dbraw/zinc/20/28/36/387202836.db2.gz JKXACIZNUXBRAV-GARJFASQSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353466795 387203163 /nfs/dbraw/zinc/20/31/63/387203163.db2.gz JKXACIZNUXBRAV-GMTAPVOTSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353466795 387203158 /nfs/dbraw/zinc/20/31/58/387203158.db2.gz JKXACIZNUXBRAV-GMTAPVOTSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353466796 387201614 /nfs/dbraw/zinc/20/16/14/387201614.db2.gz JKXACIZNUXBRAV-HBNTYKKESA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353466796 387201611 /nfs/dbraw/zinc/20/16/11/387201611.db2.gz JKXACIZNUXBRAV-HBNTYKKESA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353466797 387202480 /nfs/dbraw/zinc/20/24/80/387202480.db2.gz JKXACIZNUXBRAV-OUAUKWLOSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353466797 387202478 /nfs/dbraw/zinc/20/24/78/387202478.db2.gz JKXACIZNUXBRAV-OUAUKWLOSA-N 1 3 243.351 -0.099 20 0 BBADHO CC[N@@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353507468 387218513 /nfs/dbraw/zinc/21/85/13/387218513.db2.gz FFXOVLMJCUDNQZ-LURJTMIESA-N 1 3 227.230 -0.056 20 0 BBADHO CC[N@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353507468 387218511 /nfs/dbraw/zinc/21/85/11/387218511.db2.gz FFXOVLMJCUDNQZ-LURJTMIESA-N 1 3 227.230 -0.056 20 0 BBADHO CC[N@@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353507470 387218987 /nfs/dbraw/zinc/21/89/87/387218987.db2.gz FFXOVLMJCUDNQZ-ZCFIWIBFSA-N 1 3 227.230 -0.056 20 0 BBADHO CC[N@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353507470 387218984 /nfs/dbraw/zinc/21/89/84/387218984.db2.gz FFXOVLMJCUDNQZ-ZCFIWIBFSA-N 1 3 227.230 -0.056 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000353537152 387225706 /nfs/dbraw/zinc/22/57/06/387225706.db2.gz WMYKNYMMUGNUHR-GARJFASQSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000353537153 387226782 /nfs/dbraw/zinc/22/67/82/387226782.db2.gz WMYKNYMMUGNUHR-GMTAPVOTSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000353537154 387226305 /nfs/dbraw/zinc/22/63/05/387226305.db2.gz WMYKNYMMUGNUHR-HBNTYKKESA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000353537155 387226769 /nfs/dbraw/zinc/22/67/69/387226769.db2.gz WMYKNYMMUGNUHR-OUAUKWLOSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000353541568 387225139 /nfs/dbraw/zinc/22/51/39/387225139.db2.gz ZHUWLZNSSHMONC-NXEZZACHSA-N 1 3 243.351 -0.146 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000353541569 387225920 /nfs/dbraw/zinc/22/59/20/387225920.db2.gz ZHUWLZNSSHMONC-UWVGGRQHSA-N 1 3 243.351 -0.146 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000353541570 387225973 /nfs/dbraw/zinc/22/59/73/387225973.db2.gz ZHUWLZNSSHMONC-VHSXEESVSA-N 1 3 243.351 -0.146 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000353541571 387226004 /nfs/dbraw/zinc/22/60/04/387226004.db2.gz ZHUWLZNSSHMONC-ZJUUUORDSA-N 1 3 243.351 -0.146 20 0 BBADHO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000353578231 169390055 /nfs/dbraw/zinc/39/00/55/169390055.db2.gz IFFPABJBFHAKNS-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[C@H]([NH3+])C(=O)N[C@H]1CCN(CCOC)C1 ZINC000353578233 386111951 /nfs/dbraw/zinc/11/19/51/386111951.db2.gz IFFPABJBFHAKNS-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(CCOC)C1 ZINC000353578235 169392159 /nfs/dbraw/zinc/39/21/59/169392159.db2.gz IFFPABJBFHAKNS-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000353584195 174311429 /nfs/dbraw/zinc/31/14/29/174311429.db2.gz YOIFVECYTMOCFS-GHMZBOCLSA-N 1 3 243.351 -0.193 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000353584196 174311609 /nfs/dbraw/zinc/31/16/09/174311609.db2.gz YOIFVECYTMOCFS-MNOVXSKESA-N 1 3 243.351 -0.193 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000353584197 174314194 /nfs/dbraw/zinc/31/41/94/174314194.db2.gz YOIFVECYTMOCFS-QWRGUYRKSA-N 1 3 243.351 -0.193 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000353584198 174314651 /nfs/dbraw/zinc/31/46/51/174314651.db2.gz YOIFVECYTMOCFS-WDEREUQCSA-N 1 3 243.351 -0.193 20 0 BBADHO COCC[NH+]1CCC(N[C@H](CO)COC)CC1 ZINC000353658199 174304410 /nfs/dbraw/zinc/30/44/10/174304410.db2.gz KGGOMILWDAEXQA-GFCCVEGCSA-N 1 3 246.351 -0.306 20 0 BBADHO COCC[NH+]1CCC(N[C@@H](CO)COC)CC1 ZINC000353658208 174304391 /nfs/dbraw/zinc/30/43/91/174304391.db2.gz KGGOMILWDAEXQA-LBPRGKRZSA-N 1 3 246.351 -0.306 20 0 BBADHO C[C@@H]1CN(C(=O)COC2C[NH2+]C2)[C@@H](C)CN1 ZINC000356336900 387646715 /nfs/dbraw/zinc/64/67/15/387646715.db2.gz BQDKBJLQGGBODB-BDAKNGLRSA-N 1 3 227.308 -0.816 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)COC1C[NH2+]C1 ZINC000356336902 177217041 /nfs/dbraw/zinc/21/70/41/177217041.db2.gz BQDKBJLQGGBODB-DTWKUNHWSA-N 1 3 227.308 -0.816 20 0 BBADHO C[C@H]1CN(C(=O)COC2C[NH2+]C2)[C@@H](C)CN1 ZINC000356336904 177216380 /nfs/dbraw/zinc/21/63/80/177216380.db2.gz BQDKBJLQGGBODB-IUCAKERBSA-N 1 3 227.308 -0.816 20 0 BBADHO C[C@@H]1CN(C(=O)COC2C[NH2+]C2)[C@H](C)CN1 ZINC000356336905 176247203 /nfs/dbraw/zinc/24/72/03/176247203.db2.gz BQDKBJLQGGBODB-RKDXNWHRSA-N 1 3 227.308 -0.816 20 0 BBADHO C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)[C@H](C)CN1 ZINC000356377473 176245344 /nfs/dbraw/zinc/24/53/44/176245344.db2.gz XZEOJPSRSHDIMX-NXEZZACHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)[C@@H](C)CN1 ZINC000356377474 177214771 /nfs/dbraw/zinc/21/47/71/177214771.db2.gz XZEOJPSRSHDIMX-UWVGGRQHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CCOC1C[NH2+]C1 ZINC000356377475 177214668 /nfs/dbraw/zinc/21/46/68/177214668.db2.gz XZEOJPSRSHDIMX-VHSXEESVSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)[C@@H](C)CN1 ZINC000356377476 188065130 /nfs/dbraw/zinc/06/51/30/188065130.db2.gz XZEOJPSRSHDIMX-ZJUUUORDSA-N 1 3 241.335 -0.426 20 0 BBADHO CN(C)CC(=O)NCCCN(C)CC[NH+](C)C ZINC000356521805 387669736 /nfs/dbraw/zinc/66/97/36/387669736.db2.gz KPUZIPZYJVRJRR-UHFFFAOYSA-N 1 3 244.383 -0.452 20 0 BBADHO CN(C)CC[N@@H+](C)CCCNC(=O)CN(C)C ZINC000356521805 387669731 /nfs/dbraw/zinc/66/97/31/387669731.db2.gz KPUZIPZYJVRJRR-UHFFFAOYSA-N 1 3 244.383 -0.452 20 0 BBADHO CN(C)CC[N@H+](C)CCCNC(=O)CN(C)C ZINC000356521805 387669726 /nfs/dbraw/zinc/66/97/26/387669726.db2.gz KPUZIPZYJVRJRR-UHFFFAOYSA-N 1 3 244.383 -0.452 20 0 BBADHO CC(=O)NC[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000357068993 386707129 /nfs/dbraw/zinc/70/71/29/386707129.db2.gz DYJLYXCECVGJIV-GFCCVEGCSA-N 1 3 243.351 -0.190 20 0 BBADHO CC(=O)NC[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000357068994 386708523 /nfs/dbraw/zinc/70/85/23/386708523.db2.gz DYJLYXCECVGJIV-LBPRGKRZSA-N 1 3 243.351 -0.190 20 0 BBADHO [NH3+]CCOCCN1CCC[C@@H](n2cncn2)C1 ZINC000357071927 187377063 /nfs/dbraw/zinc/37/70/63/187377063.db2.gz COHLIDHTPRGWJT-LLVKDONJSA-N 1 3 239.323 -0.110 20 0 BBADHO [NH3+]CCOCCN1CCC[C@H](n2cncn2)C1 ZINC000357071928 386712013 /nfs/dbraw/zinc/71/20/13/386712013.db2.gz COHLIDHTPRGWJT-NSHDSACASA-N 1 3 239.323 -0.110 20 0 BBADHO NC(=O)C1(NCCOCC[NH3+])CCCCC1 ZINC000357073608 181399221 /nfs/dbraw/zinc/39/92/21/181399221.db2.gz HYEWULXLFRKJHS-UHFFFAOYSA-N 1 3 229.324 -0.261 20 0 BBADHO CC(=O)N[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000357079433 187377517 /nfs/dbraw/zinc/37/75/17/187377517.db2.gz SKRPQBZKHCABOW-LLVKDONJSA-N 1 3 229.324 -0.438 20 0 BBADHO CC(=O)N[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000357079434 386709776 /nfs/dbraw/zinc/70/97/76/386709776.db2.gz SKRPQBZKHCABOW-NSHDSACASA-N 1 3 229.324 -0.438 20 0 BBADHO CNC(=O)CC1CCN(CCOCC[NH3+])CC1 ZINC000357079959 173233333 /nfs/dbraw/zinc/23/33/33/173233333.db2.gz DOWRLVSRQWSCCN-UHFFFAOYSA-N 1 3 243.351 -0.190 20 0 BBADHO COCCN1CCN(CCOCC[NH3+])C[C@H]1C ZINC000357082233 174310026 /nfs/dbraw/zinc/31/00/26/174310026.db2.gz OXEYEMBUVQTECA-GFCCVEGCSA-N 1 3 245.367 -0.386 20 0 BBADHO COCCN1CCN(CCOCC[NH3+])C[C@@H]1C ZINC000357082234 174310544 /nfs/dbraw/zinc/31/05/44/174310544.db2.gz OXEYEMBUVQTECA-LBPRGKRZSA-N 1 3 245.367 -0.386 20 0 BBADHO C[C@H](O)CN1CCN(CCOCC[NH3+])C[C@H]1C ZINC000357085364 386715658 /nfs/dbraw/zinc/71/56/58/386715658.db2.gz SOPDPPIOIDKTRF-NEPJUHHUSA-N 1 3 245.367 -0.651 20 0 BBADHO C[C@@H](O)CN1CCN(CCOCC[NH3+])C[C@@H]1C ZINC000357085365 177252886 /nfs/dbraw/zinc/25/28/86/177252886.db2.gz SOPDPPIOIDKTRF-NWDGAFQWSA-N 1 3 245.367 -0.651 20 0 BBADHO C[C@H](O)CN1CCN(CCOCC[NH3+])C[C@@H]1C ZINC000357085366 386714362 /nfs/dbraw/zinc/71/43/62/386714362.db2.gz SOPDPPIOIDKTRF-RYUDHWBXSA-N 1 3 245.367 -0.651 20 0 BBADHO C[C@@H](O)CN1CCN(CCOCC[NH3+])C[C@H]1C ZINC000357085368 386714573 /nfs/dbraw/zinc/71/45/73/386714573.db2.gz SOPDPPIOIDKTRF-VXGBXAGGSA-N 1 3 245.367 -0.651 20 0 BBADHO NC(=O)CC[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000357089304 187213843 /nfs/dbraw/zinc/21/38/43/187213843.db2.gz PKWDGTNHDCEFOT-LLVKDONJSA-N 1 3 243.351 -0.061 20 0 BBADHO NC(=O)CC[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000357089305 187377194 /nfs/dbraw/zinc/37/71/94/187377194.db2.gz PKWDGTNHDCEFOT-NSHDSACASA-N 1 3 243.351 -0.061 20 0 BBADHO [NH3+]CCOCCN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000357093440 386715571 /nfs/dbraw/zinc/71/55/71/386715571.db2.gz YKXANWSOWDCLDH-GFCCVEGCSA-N 1 3 241.335 -0.436 20 0 BBADHO [NH3+]CCOCCN1CCC[C@]2(CNC(=O)C2)C1 ZINC000357093442 188066102 /nfs/dbraw/zinc/06/61/02/188066102.db2.gz YKXANWSOWDCLDH-LBPRGKRZSA-N 1 3 241.335 -0.436 20 0 BBADHO C[NH2+]CCC(=O)NCCCN(C)CCOC ZINC000357169015 173340313 /nfs/dbraw/zinc/34/03/13/173340313.db2.gz BRWFSUXAKZGTTI-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO COCCN(C)CCCNC(=O)[C@@H](C)C[NH3+] ZINC000357178977 174275130 /nfs/dbraw/zinc/27/51/30/174275130.db2.gz SSCHVOSXWWSSDW-JTQLQIEISA-N 1 3 231.340 -0.334 20 0 BBADHO COCCN(C)CCCNC(=O)[C@H](C)C[NH3+] ZINC000357178978 174275819 /nfs/dbraw/zinc/27/58/19/174275819.db2.gz SSCHVOSXWWSSDW-SNVBAGLBSA-N 1 3 231.340 -0.334 20 0 BBADHO CCN1CCN(CCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357229945 356819263 /nfs/dbraw/zinc/81/92/63/356819263.db2.gz WTIKUAAQRQZQKM-LLVKDONJSA-N 1 3 242.367 -0.665 20 0 BBADHO CCN1CCN(CCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357229946 356819589 /nfs/dbraw/zinc/81/95/89/356819589.db2.gz WTIKUAAQRQZQKM-NSHDSACASA-N 1 3 242.367 -0.665 20 0 BBADHO CCN1CCN(CCNC(=O)CC[NH2+]C)CC1 ZINC000357231392 356819182 /nfs/dbraw/zinc/81/91/82/356819182.db2.gz ZONIICNNOBEGPN-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO C[NH2+]CCC(=O)N[C@H]1CCN(CCOC)C1 ZINC000357236559 173341731 /nfs/dbraw/zinc/34/17/31/173341731.db2.gz FOLKPENULOUOFT-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CCC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000357236560 173341489 /nfs/dbraw/zinc/34/14/89/173341489.db2.gz FOLKPENULOUOFT-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000357244598 174312396 /nfs/dbraw/zinc/31/23/96/174312396.db2.gz SXUBHEPXFVEPEI-NXEZZACHSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000357244930 174314996 /nfs/dbraw/zinc/31/49/96/174314996.db2.gz SXUBHEPXFVEPEI-UWVGGRQHSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000357244932 174312413 /nfs/dbraw/zinc/31/24/13/174312413.db2.gz SXUBHEPXFVEPEI-VHSXEESVSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000357244933 174314838 /nfs/dbraw/zinc/31/48/38/174314838.db2.gz SXUBHEPXFVEPEI-ZJUUUORDSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCCN(C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000357248620 174215281 /nfs/dbraw/zinc/21/52/81/174215281.db2.gz RFQYQWGTUWATOT-JTQLQIEISA-N 1 3 231.340 -0.334 20 0 BBADHO COCCCN(C)CCNC(=O)[C@H](C)C[NH3+] ZINC000357248621 174215312 /nfs/dbraw/zinc/21/53/12/174215312.db2.gz RFQYQWGTUWATOT-SNVBAGLBSA-N 1 3 231.340 -0.334 20 0 BBADHO C[NH2+]CCC(=O)NCCN(C)CCCOC ZINC000357251431 173339880 /nfs/dbraw/zinc/33/98/80/173339880.db2.gz UWLHDXIPOSCXNX-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO CCC[C@H](N)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000357284456 386754466 /nfs/dbraw/zinc/75/44/66/386754466.db2.gz IBAXGYCZWMNYRU-CMPLNLGQSA-N 1 3 243.351 -0.001 20 0 BBADHO CCC[C@H](N)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000357284457 386753262 /nfs/dbraw/zinc/75/32/62/386753262.db2.gz IBAXGYCZWMNYRU-JQWIXIFHSA-N 1 3 243.351 -0.001 20 0 BBADHO CCC[C@@H](N)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000357284458 169390550 /nfs/dbraw/zinc/39/05/50/169390550.db2.gz IBAXGYCZWMNYRU-PWSUYJOCSA-N 1 3 243.351 -0.001 20 0 BBADHO CCC[C@@H](N)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000357284460 169389476 /nfs/dbraw/zinc/38/94/76/169389476.db2.gz IBAXGYCZWMNYRU-ZYHUDNBSSA-N 1 3 243.351 -0.001 20 0 BBADHO COCCNCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357305969 174331418 /nfs/dbraw/zinc/33/14/18/174331418.db2.gz LQQRXLBWWMTMCK-CKYFFXLPSA-N 1 3 243.351 -0.275 20 0 BBADHO COCCNCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357305970 174331377 /nfs/dbraw/zinc/33/13/77/174331377.db2.gz LQQRXLBWWMTMCK-HOSYDEDBSA-N 1 3 243.351 -0.275 20 0 BBADHO COCCNCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357305971 174331113 /nfs/dbraw/zinc/33/11/13/174331113.db2.gz LQQRXLBWWMTMCK-JBLDHEPKSA-N 1 3 243.351 -0.275 20 0 BBADHO COCCNCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357305972 174331143 /nfs/dbraw/zinc/33/11/43/174331143.db2.gz LQQRXLBWWMTMCK-JFGNBEQYSA-N 1 3 243.351 -0.275 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358037743 188067181 /nfs/dbraw/zinc/06/71/81/188067181.db2.gz ATOUVRVKXHOHDU-GFCCVEGCSA-N 1 3 243.351 -0.491 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358037743 188067179 /nfs/dbraw/zinc/06/71/79/188067179.db2.gz ATOUVRVKXHOHDU-GFCCVEGCSA-N 1 3 243.351 -0.491 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358037744 386884156 /nfs/dbraw/zinc/88/41/56/386884156.db2.gz ATOUVRVKXHOHDU-LBPRGKRZSA-N 1 3 243.351 -0.491 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358037744 386884149 /nfs/dbraw/zinc/88/41/49/386884149.db2.gz ATOUVRVKXHOHDU-LBPRGKRZSA-N 1 3 243.351 -0.491 20 0 BBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)N(C)C ZINC000358052312 386885127 /nfs/dbraw/zinc/88/51/27/386885127.db2.gz SXPRTSZWDCGDAU-CMPLNLGQSA-N 1 3 243.351 -0.491 20 0 BBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)N(C)C ZINC000358052312 386885123 /nfs/dbraw/zinc/88/51/23/386885123.db2.gz SXPRTSZWDCGDAU-CMPLNLGQSA-N 1 3 243.351 -0.491 20 0 BBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)N(C)C ZINC000358052313 386885690 /nfs/dbraw/zinc/88/56/90/386885690.db2.gz SXPRTSZWDCGDAU-JQWIXIFHSA-N 1 3 243.351 -0.491 20 0 BBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)N(C)C ZINC000358052313 386885688 /nfs/dbraw/zinc/88/56/88/386885688.db2.gz SXPRTSZWDCGDAU-JQWIXIFHSA-N 1 3 243.351 -0.491 20 0 BBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)N(C)C ZINC000358052314 171229786 /nfs/dbraw/zinc/22/97/86/171229786.db2.gz SXPRTSZWDCGDAU-PWSUYJOCSA-N 1 3 243.351 -0.491 20 0 BBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)N(C)C ZINC000358052314 171229785 /nfs/dbraw/zinc/22/97/85/171229785.db2.gz SXPRTSZWDCGDAU-PWSUYJOCSA-N 1 3 243.351 -0.491 20 0 BBADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)N(C)C ZINC000358052315 171230718 /nfs/dbraw/zinc/23/07/18/171230718.db2.gz SXPRTSZWDCGDAU-ZYHUDNBSSA-N 1 3 243.351 -0.491 20 0 BBADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)N(C)C ZINC000358052315 171230716 /nfs/dbraw/zinc/23/07/16/171230716.db2.gz SXPRTSZWDCGDAU-ZYHUDNBSSA-N 1 3 243.351 -0.491 20 0 BBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358053468 169073822 /nfs/dbraw/zinc/07/38/22/169073822.db2.gz WEODXQJTMVAWAV-GFCCVEGCSA-N 1 3 243.351 -0.489 20 0 BBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358053468 169073820 /nfs/dbraw/zinc/07/38/20/169073820.db2.gz WEODXQJTMVAWAV-GFCCVEGCSA-N 1 3 243.351 -0.489 20 0 BBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358053469 169070169 /nfs/dbraw/zinc/07/01/69/169070169.db2.gz WEODXQJTMVAWAV-LBPRGKRZSA-N 1 3 243.351 -0.489 20 0 BBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358053469 169070166 /nfs/dbraw/zinc/07/01/66/169070166.db2.gz WEODXQJTMVAWAV-LBPRGKRZSA-N 1 3 243.351 -0.489 20 0 BBADHO CCN1C[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)[C@@H](C)C1 ZINC000358168459 170036038 /nfs/dbraw/zinc/03/60/38/170036038.db2.gz QKWCLOWSJPSJAE-AVGNSLFASA-N 1 3 241.379 -0.017 20 0 BBADHO CCN1C[C@H]([NH2+]C[C@]2(O)CCN(C)C2)[C@@H](C)C1 ZINC000358168462 170037138 /nfs/dbraw/zinc/03/71/38/170037138.db2.gz QKWCLOWSJPSJAE-RWMBFGLXSA-N 1 3 241.379 -0.017 20 0 BBADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)C1 ZINC000358168465 170039127 /nfs/dbraw/zinc/03/91/27/170039127.db2.gz QKWCLOWSJPSJAE-XQQFMLRXSA-N 1 3 241.379 -0.017 20 0 BBADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@]2(O)CCN(C)C2)C1 ZINC000358168468 170038959 /nfs/dbraw/zinc/03/89/59/170038959.db2.gz QKWCLOWSJPSJAE-YNEHKIRRSA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358230149 176270038 /nfs/dbraw/zinc/27/00/38/176270038.db2.gz GVRYXGGISYXPNB-AGIUHOORSA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358230151 176269849 /nfs/dbraw/zinc/26/98/49/176269849.db2.gz GVRYXGGISYXPNB-FRRDWIJNSA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358230153 176270652 /nfs/dbraw/zinc/27/06/52/176270652.db2.gz GVRYXGGISYXPNB-JHJVBQTASA-N 1 3 241.379 -0.017 20 0 BBADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358230155 176270410 /nfs/dbraw/zinc/27/04/10/176270410.db2.gz GVRYXGGISYXPNB-UPJWGTAASA-N 1 3 241.379 -0.017 20 0 BBADHO CC(C)[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)N(C)C ZINC000358497103 188240670 /nfs/dbraw/zinc/24/06/70/188240670.db2.gz LUELJOLQHSCHDF-GHMZBOCLSA-N 1 3 243.351 -0.241 20 0 BBADHO CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)N(C)C ZINC000358497114 167342407 /nfs/dbraw/zinc/34/24/07/167342407.db2.gz LUELJOLQHSCHDF-MNOVXSKESA-N 1 3 243.351 -0.241 20 0 BBADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N(C)C ZINC000358497116 167342487 /nfs/dbraw/zinc/34/24/87/167342487.db2.gz LUELJOLQHSCHDF-QWRGUYRKSA-N 1 3 243.351 -0.241 20 0 BBADHO CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N(C)C ZINC000358497118 187553669 /nfs/dbraw/zinc/55/36/69/187553669.db2.gz LUELJOLQHSCHDF-WDEREUQCSA-N 1 3 243.351 -0.241 20 0 BBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000358498237 169067537 /nfs/dbraw/zinc/06/75/37/169067537.db2.gz OIFQWIUKANDWRA-JTQLQIEISA-N 1 3 229.324 -0.486 20 0 BBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000358498241 169067987 /nfs/dbraw/zinc/06/79/87/169067987.db2.gz OIFQWIUKANDWRA-SNVBAGLBSA-N 1 3 229.324 -0.486 20 0 BBADHO CCC[C@@H]1CNCCN1C(=O)C[NH2+]CCOC ZINC000359215461 387067422 /nfs/dbraw/zinc/06/74/22/387067422.db2.gz FMAXDHNHNGELAZ-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO CCC[C@H]1CNCCN1C(=O)C[NH2+]CCOC ZINC000359215550 387068136 /nfs/dbraw/zinc/06/81/36/387068136.db2.gz FMAXDHNHNGELAZ-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO CN(C)C(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000360573578 172353257 /nfs/dbraw/zinc/35/32/57/172353257.db2.gz SGXQZQPLEICPIT-NXEZZACHSA-N 1 3 226.324 -0.064 20 0 BBADHO CN(C)C(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000360573579 172353958 /nfs/dbraw/zinc/35/39/58/172353958.db2.gz SGXQZQPLEICPIT-UWVGGRQHSA-N 1 3 226.324 -0.064 20 0 BBADHO CN(C)C(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000360573580 172353277 /nfs/dbraw/zinc/35/32/77/172353277.db2.gz SGXQZQPLEICPIT-VHSXEESVSA-N 1 3 226.324 -0.064 20 0 BBADHO CN(C)C(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000360573581 172353496 /nfs/dbraw/zinc/35/34/96/172353496.db2.gz SGXQZQPLEICPIT-ZJUUUORDSA-N 1 3 226.324 -0.064 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](O)CN(C)C ZINC000361214403 176281996 /nfs/dbraw/zinc/28/19/96/176281996.db2.gz FDRXJIMPIUETBQ-KGYLQXTDSA-N 1 3 241.379 -0.019 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](O)CN(C)C ZINC000361214404 176281279 /nfs/dbraw/zinc/28/12/79/176281279.db2.gz FDRXJIMPIUETBQ-RAIGVLPGSA-N 1 3 241.379 -0.019 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CN(C)C ZINC000361214405 176282229 /nfs/dbraw/zinc/28/22/29/176282229.db2.gz FDRXJIMPIUETBQ-RTXFEEFZSA-N 1 3 241.379 -0.019 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](O)CN(C)C ZINC000361214406 176281807 /nfs/dbraw/zinc/28/18/07/176281807.db2.gz FDRXJIMPIUETBQ-WXHSDQCUSA-N 1 3 241.379 -0.019 20 0 BBADHO CC[NH2+]CCNC(=O)[C@@]1(F)CCNC1 ZINC000361959451 366957442 /nfs/dbraw/zinc/95/74/42/366957442.db2.gz OSQBJHZXYVFVHA-SECBINFHSA-N 1 3 203.261 -0.586 20 0 BBADHO CC[NH2+]CCNC(=O)[C@]1(F)CCNC1 ZINC000361959452 535476044 /nfs/dbraw/zinc/47/60/44/535476044.db2.gz OSQBJHZXYVFVHA-VIFPVBQESA-N 1 3 203.261 -0.586 20 0 BBADHO O=C(Nc1cnc2c(c1)CNCC2)C1C[NH2+]C1 ZINC000363667892 182392731 /nfs/dbraw/zinc/39/27/31/182392731.db2.gz AAMSCVXQBIMUNU-UHFFFAOYSA-N 1 3 232.287 -0.115 20 0 BBADHO CC(C)([NH3+])CNC(=O)c1[nH]nc2c1CNCC2 ZINC000363994221 384825531 /nfs/dbraw/zinc/82/55/31/384825531.db2.gz FOZVSNGUIJYZIB-UHFFFAOYSA-N 1 3 237.307 -0.478 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000364046018 177175681 /nfs/dbraw/zinc/17/56/81/177175681.db2.gz WJPGWKFZOGHERA-AXTSPUMRSA-N 1 3 229.299 -0.199 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000364046019 177174219 /nfs/dbraw/zinc/17/42/19/177174219.db2.gz WJPGWKFZOGHERA-QEYWKRMJSA-N 1 3 229.299 -0.199 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000364046020 176185549 /nfs/dbraw/zinc/18/55/49/176185549.db2.gz WJPGWKFZOGHERA-RGOKHQFPSA-N 1 3 229.299 -0.199 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000364046021 176186071 /nfs/dbraw/zinc/18/60/71/176186071.db2.gz WJPGWKFZOGHERA-UTINFBMNSA-N 1 3 229.299 -0.199 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000364171348 188002087 /nfs/dbraw/zinc/00/20/87/188002087.db2.gz OKEFFJPJFVNILM-DTWKUNHWSA-N 1 3 229.324 -0.454 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000364171349 385209431 /nfs/dbraw/zinc/20/94/31/385209431.db2.gz OKEFFJPJFVNILM-RKDXNWHRSA-N 1 3 229.324 -0.454 20 0 BBADHO NC1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCC1 ZINC000364195923 385242969 /nfs/dbraw/zinc/24/29/69/385242969.db2.gz OPCYZWHSZGOFKH-SECBINFHSA-N 1 3 227.308 -0.556 20 0 BBADHO NC1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCCC1 ZINC000364195925 181466928 /nfs/dbraw/zinc/46/69/28/181466928.db2.gz OPCYZWHSZGOFKH-VIFPVBQESA-N 1 3 227.308 -0.556 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000364215952 388564286 /nfs/dbraw/zinc/56/42/86/388564286.db2.gz QRJDMRXKQCEGJP-DJLDLDEBSA-N 1 3 215.272 -0.493 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000364215953 388563989 /nfs/dbraw/zinc/56/39/89/388563989.db2.gz QRJDMRXKQCEGJP-XHNCKOQMSA-N 1 3 215.272 -0.493 20 0 BBADHO C[N@@H+](CCNC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000364221747 385263231 /nfs/dbraw/zinc/26/32/31/385263231.db2.gz PSSCBAXDQUVTRH-WCBMZHEXSA-N 1 3 229.299 -0.103 20 0 BBADHO C[N@H+](CCNC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000364221747 385263226 /nfs/dbraw/zinc/26/32/26/385263226.db2.gz PSSCBAXDQUVTRH-WCBMZHEXSA-N 1 3 229.299 -0.103 20 0 BBADHO CCN(CC)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000364222469 385266108 /nfs/dbraw/zinc/26/61/08/385266108.db2.gz WPFIGQGIXKLXMX-JTQLQIEISA-N 1 3 229.324 -0.486 20 0 BBADHO CCN(CC)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000364222470 385266650 /nfs/dbraw/zinc/26/66/50/385266650.db2.gz WPFIGQGIXKLXMX-SNVBAGLBSA-N 1 3 229.324 -0.486 20 0 BBADHO CN1CCC(NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000364238487 385280881 /nfs/dbraw/zinc/28/08/81/385280881.db2.gz RXEDZGXENHJLSN-LLVKDONJSA-N 1 3 229.299 -0.102 20 0 BBADHO CN1CCC(NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000364238488 385281546 /nfs/dbraw/zinc/28/15/46/385281546.db2.gz RXEDZGXENHJLSN-NSHDSACASA-N 1 3 229.299 -0.102 20 0 BBADHO NC1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCCCC1 ZINC000364302495 385339358 /nfs/dbraw/zinc/33/93/58/385339358.db2.gz KHLLSGHWPSWGMN-JTQLQIEISA-N 1 3 241.335 -0.166 20 0 BBADHO NC1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCCC1 ZINC000364302496 385339389 /nfs/dbraw/zinc/33/93/89/385339389.db2.gz KHLLSGHWPSWGMN-SNVBAGLBSA-N 1 3 241.335 -0.166 20 0 BBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000364307945 385344803 /nfs/dbraw/zinc/34/48/03/385344803.db2.gz VHQLOIDYJZQVOW-JTQLQIEISA-N 1 3 229.324 -0.487 20 0 BBADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000364307946 385345566 /nfs/dbraw/zinc/34/55/66/385345566.db2.gz VHQLOIDYJZQVOW-SNVBAGLBSA-N 1 3 229.324 -0.487 20 0 BBADHO [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000364543409 388564067 /nfs/dbraw/zinc/56/40/67/388564067.db2.gz MTNFAGSKJXRANA-DJLDLDEBSA-N 1 3 215.272 -0.364 20 0 BBADHO COCCNCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364650452 174330223 /nfs/dbraw/zinc/33/02/23/174330223.db2.gz XDNOFGIYOGZTQT-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO COCCNCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364650453 174330703 /nfs/dbraw/zinc/33/07/03/174330703.db2.gz XDNOFGIYOGZTQT-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO [NH3+]C[C@H](NC(=O)c1[nH]nc2c1CNCC2)C1CC1 ZINC000364722865 385505686 /nfs/dbraw/zinc/50/56/86/385505686.db2.gz HZKTVPBSVMQAHG-JTQLQIEISA-N 1 3 249.318 -0.478 20 0 BBADHO [NH3+]C[C@@H](NC(=O)c1[nH]nc2c1CNCC2)C1CC1 ZINC000364722867 385505888 /nfs/dbraw/zinc/50/58/88/385505888.db2.gz HZKTVPBSVMQAHG-SNVBAGLBSA-N 1 3 249.318 -0.478 20 0 BBADHO CC(C)(C[NH3+])NC(=O)c1[nH]nc2c1CNCC2 ZINC000364731955 385507236 /nfs/dbraw/zinc/50/72/36/385507236.db2.gz ULMZENBUAXLRPZ-UHFFFAOYSA-N 1 3 237.307 -0.478 20 0 BBADHO O=C(NC[C@H]1CCC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000364876136 182237905 /nfs/dbraw/zinc/23/79/05/182237905.db2.gz GRGXETYYUHGJAP-GXSJLCMTSA-N 1 3 229.299 -0.196 20 0 BBADHO O=C(NC[C@@H]1CCC[NH2+]C1)[C@]1(F)CCNC1 ZINC000364876144 385535298 /nfs/dbraw/zinc/53/52/98/385535298.db2.gz GRGXETYYUHGJAP-KOLCDFICSA-N 1 3 229.299 -0.196 20 0 BBADHO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000364876145 188006676 /nfs/dbraw/zinc/00/66/76/188006676.db2.gz GRGXETYYUHGJAP-MWLCHTKSSA-N 1 3 229.299 -0.196 20 0 BBADHO O=C(NC[C@H]1CCC[NH2+]C1)[C@]1(F)CCNC1 ZINC000364876147 182238041 /nfs/dbraw/zinc/23/80/41/182238041.db2.gz GRGXETYYUHGJAP-ONGXEEELSA-N 1 3 229.299 -0.196 20 0 BBADHO O=C(C1C[NH2+]C1)N1CCCN(C2CC2)CC1 ZINC000364880317 385535244 /nfs/dbraw/zinc/53/52/44/385535244.db2.gz KQSVNIYDJSIWLO-UHFFFAOYSA-N 1 3 223.320 -0.098 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364986466 384901111 /nfs/dbraw/zinc/90/11/11/384901111.db2.gz LGYPQKZZDZXTNN-AEJSXWLSSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000364986466 384901102 /nfs/dbraw/zinc/90/11/02/384901102.db2.gz LGYPQKZZDZXTNN-AEJSXWLSSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364986475 384900107 /nfs/dbraw/zinc/90/01/07/384900107.db2.gz LGYPQKZZDZXTNN-GUBZILKMSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000364986475 384900101 /nfs/dbraw/zinc/90/01/01/384900101.db2.gz LGYPQKZZDZXTNN-GUBZILKMSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364986477 384900435 /nfs/dbraw/zinc/90/04/35/384900435.db2.gz LGYPQKZZDZXTNN-IVZWLZJFSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364986477 384900428 /nfs/dbraw/zinc/90/04/28/384900428.db2.gz LGYPQKZZDZXTNN-IVZWLZJFSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364986478 384899675 /nfs/dbraw/zinc/89/96/75/384899675.db2.gz LGYPQKZZDZXTNN-LPEHRKFASA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364986478 384899664 /nfs/dbraw/zinc/89/96/64/384899664.db2.gz LGYPQKZZDZXTNN-LPEHRKFASA-N 1 3 211.309 -0.114 20 0 BBADHO CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365083089 348869630 /nfs/dbraw/zinc/86/96/30/348869630.db2.gz GXIKQGHXZNNABY-HBNTYKKESA-N 1 3 241.335 -0.690 20 0 BBADHO CNCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094816 173328146 /nfs/dbraw/zinc/32/81/46/173328146.db2.gz XVNSTGJGYICRFB-GXSJLCMTSA-N 1 3 211.309 -0.064 20 0 BBADHO CNCC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365094817 173328055 /nfs/dbraw/zinc/32/80/55/173328055.db2.gz XVNSTGJGYICRFB-KOLCDFICSA-N 1 3 211.309 -0.064 20 0 BBADHO CNCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365094818 173328225 /nfs/dbraw/zinc/32/82/25/173328225.db2.gz XVNSTGJGYICRFB-MWLCHTKSSA-N 1 3 211.309 -0.064 20 0 BBADHO CNCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094819 173327560 /nfs/dbraw/zinc/32/75/60/173327560.db2.gz XVNSTGJGYICRFB-ONGXEEELSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000365249097 537861929 /nfs/dbraw/zinc/86/19/29/537861929.db2.gz PWPMULUAWQKERS-AATLWQCWSA-N 1 3 229.299 -0.057 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000365249098 176459606 /nfs/dbraw/zinc/45/96/06/176459606.db2.gz PWPMULUAWQKERS-AXTSPUMRSA-N 1 3 229.299 -0.057 20 0 BBADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000365249099 177395849 /nfs/dbraw/zinc/39/58/49/177395849.db2.gz PWPMULUAWQKERS-UTINFBMNSA-N 1 3 229.299 -0.057 20 0 BBADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000365249100 177395433 /nfs/dbraw/zinc/39/54/33/177395433.db2.gz PWPMULUAWQKERS-XFWSIPNHSA-N 1 3 229.299 -0.057 20 0 BBADHO COCCNCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365315601 174331691 /nfs/dbraw/zinc/33/16/91/174331691.db2.gz DSQWWIMQHMSQNB-GHMZBOCLSA-N 1 3 241.335 -0.567 20 0 BBADHO COCCNCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365315617 174331202 /nfs/dbraw/zinc/33/12/02/174331202.db2.gz DSQWWIMQHMSQNB-MNOVXSKESA-N 1 3 241.335 -0.567 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365315621 174331623 /nfs/dbraw/zinc/33/16/23/174331623.db2.gz DSQWWIMQHMSQNB-QWRGUYRKSA-N 1 3 241.335 -0.567 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365315623 174331039 /nfs/dbraw/zinc/33/10/39/174331039.db2.gz DSQWWIMQHMSQNB-WDEREUQCSA-N 1 3 241.335 -0.567 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365334035 388564591 /nfs/dbraw/zinc/56/45/91/388564591.db2.gz NTUUYVFAQHNZGU-GUBZILKMSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365334041 388564532 /nfs/dbraw/zinc/56/45/32/388564532.db2.gz NTUUYVFAQHNZGU-KXUCPTDWSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365334042 388564768 /nfs/dbraw/zinc/56/47/68/388564768.db2.gz NTUUYVFAQHNZGU-LPEHRKFASA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365334044 388564741 /nfs/dbraw/zinc/56/47/41/388564741.db2.gz NTUUYVFAQHNZGU-UTLUCORTSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(CCNC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000366350134 386380690 /nfs/dbraw/zinc/38/06/90/386380690.db2.gz ZWDYTVYLYHAZFK-LLVKDONJSA-N 1 3 229.299 -0.102 20 0 BBADHO CN(CCNC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000366350135 172744445 /nfs/dbraw/zinc/74/44/45/172744445.db2.gz ZWDYTVYLYHAZFK-NSHDSACASA-N 1 3 229.299 -0.102 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000366417085 170157483 /nfs/dbraw/zinc/15/74/83/170157483.db2.gz HTIOZWHWFIPZTR-HRDYMLBCSA-N 1 3 217.288 -0.199 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000366418688 170158103 /nfs/dbraw/zinc/15/81/03/170158103.db2.gz OBOQLQFPIQVDRT-PSASIEDQSA-N 1 3 217.288 -0.198 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000366418689 170157425 /nfs/dbraw/zinc/15/74/25/170157425.db2.gz OBOQLQFPIQVDRT-SCZZXKLOSA-N 1 3 217.288 -0.198 20 0 BBADHO O=C(C[C@@H]1CSCCN1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366452688 182021756 /nfs/dbraw/zinc/02/17/56/182021756.db2.gz MMVQECCNNYFJSK-REIXXSIJSA-N 1 3 241.360 -0.585 20 0 BBADHO O=C(C[C@H]1CSCCN1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366452691 182030296 /nfs/dbraw/zinc/03/02/96/182030296.db2.gz MMVQECCNNYFJSK-WYOJIJJFSA-N 1 3 241.360 -0.585 20 0 BBADHO C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCCN1 ZINC000366474777 386525878 /nfs/dbraw/zinc/52/58/78/386525878.db2.gz OXJZBWMVAOFFED-FYLLDIAZSA-N 1 3 223.320 -0.147 20 0 BBADHO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCCN1 ZINC000366474780 386527644 /nfs/dbraw/zinc/52/76/44/386527644.db2.gz OXJZBWMVAOFFED-XNDJQWLSSA-N 1 3 223.320 -0.147 20 0 BBADHO N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366499071 386604632 /nfs/dbraw/zinc/60/46/32/386604632.db2.gz BBOAKMNDSKSGAV-QNWHQSFQSA-N 1 3 245.326 -0.110 20 0 BBADHO CCC[C@](C)(N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366531558 384920932 /nfs/dbraw/zinc/92/09/32/384920932.db2.gz RYTNQVKQZYEPNR-SJQPAMGKSA-N 1 3 211.309 -0.162 20 0 BBADHO CCC[C@@](C)(N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366531559 384918768 /nfs/dbraw/zinc/91/87/68/384918768.db2.gz RYTNQVKQZYEPNR-UYAYMFIHSA-N 1 3 211.309 -0.162 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366540509 188253838 /nfs/dbraw/zinc/25/38/38/188253838.db2.gz ZPSLOYIOAGTXSN-RYPBNFRJSA-N 1 3 211.309 -0.306 20 0 BBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000366540669 188193007 /nfs/dbraw/zinc/19/30/07/188193007.db2.gz ZXRVJTOVQNYXND-VPOLOUISSA-N 1 3 225.336 -0.093 20 0 BBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000366540670 167344718 /nfs/dbraw/zinc/34/47/18/167344718.db2.gz ZXRVJTOVQNYXND-ZDCRXTMVSA-N 1 3 225.336 -0.093 20 0 BBADHO [NH3+]CCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366553225 181372349 /nfs/dbraw/zinc/37/23/49/181372349.db2.gz GNJJYHWDZGTEDH-YUMQZZPRSA-N 1 3 203.261 -0.459 20 0 BBADHO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000366553652 386829912 /nfs/dbraw/zinc/82/99/12/386829912.db2.gz HVTBUCUWIUDPJB-KATARQTJSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000366553653 386829756 /nfs/dbraw/zinc/82/97/56/386829756.db2.gz HVTBUCUWIUDPJB-QEYWKRMJSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000366553654 386829732 /nfs/dbraw/zinc/82/97/32/386829732.db2.gz HVTBUCUWIUDPJB-RGOKHQFPSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000366553655 386829881 /nfs/dbraw/zinc/82/98/81/386829881.db2.gz HVTBUCUWIUDPJB-XKNYDFJKSA-N 1 3 229.299 -0.070 20 0 BBADHO CC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366555074 491093897 /nfs/dbraw/zinc/09/38/97/491093897.db2.gz LMQFLAWUBLJADK-FXQIFTODSA-N 1 3 203.261 -0.460 20 0 BBADHO C[NH2+]CCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366557316 173344527 /nfs/dbraw/zinc/34/45/27/173344527.db2.gz RVEBEQRTHLRUOY-IUCAKERBSA-N 1 3 217.288 -0.198 20 0 BBADHO CC(C)([NH3+])CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366558993 187228940 /nfs/dbraw/zinc/22/89/40/187228940.db2.gz XOCBMQARXBSOFK-YUMQZZPRSA-N 1 3 217.288 -0.070 20 0 BBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366559382 385603545 /nfs/dbraw/zinc/60/35/45/385603545.db2.gz YTVWIVZETBXXRY-JZYVYDRUSA-N 1 3 211.309 -0.338 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000366777580 135279457 /nfs/dbraw/zinc/27/94/57/135279457.db2.gz QNWUFSIUKBIMSW-FXPVBKGRSA-N 1 3 229.299 -0.198 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000366777581 135279353 /nfs/dbraw/zinc/27/93/53/135279353.db2.gz QNWUFSIUKBIMSW-KKZNHRDASA-N 1 3 229.299 -0.198 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000366777582 135279157 /nfs/dbraw/zinc/27/91/57/135279157.db2.gz QNWUFSIUKBIMSW-WCABBAIRSA-N 1 3 229.299 -0.198 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000366778170 135279700 /nfs/dbraw/zinc/27/97/00/135279700.db2.gz QNWUFSIUKBIMSW-YWVKMMECSA-N 1 3 229.299 -0.198 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@H]1C ZINC000366785452 135311905 /nfs/dbraw/zinc/31/19/05/135311905.db2.gz CSYUJCJBBVHMRP-ATZCPNFKSA-N 1 3 229.299 -0.103 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366785453 135312380 /nfs/dbraw/zinc/31/23/80/135312380.db2.gz CSYUJCJBBVHMRP-IQJOONFLSA-N 1 3 229.299 -0.103 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000366785454 135312167 /nfs/dbraw/zinc/31/21/67/135312167.db2.gz CSYUJCJBBVHMRP-NGZCFLSTSA-N 1 3 229.299 -0.103 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@]2(F)CC[NH2+]C2)[C@H]1C ZINC000366785455 135311681 /nfs/dbraw/zinc/31/16/81/135311681.db2.gz CSYUJCJBBVHMRP-QXEWZRGKSA-N 1 3 229.299 -0.103 20 0 BBADHO CNCC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000366963054 355151461 /nfs/dbraw/zinc/15/14/61/355151461.db2.gz OMGDOZQQMPEDIS-YUMQZZPRSA-N 1 3 203.261 -0.636 20 0 BBADHO CCN(CC)CC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367182975 169764800 /nfs/dbraw/zinc/76/48/00/169764800.db2.gz ALDWDKJKRAAUEK-MNOVXSKESA-N 1 3 241.335 -0.473 20 0 BBADHO CC(C)N(C)CC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367186235 188236575 /nfs/dbraw/zinc/23/65/75/188236575.db2.gz MMNAUIUNVUVVED-MNOVXSKESA-N 1 3 241.335 -0.474 20 0 BBADHO CC[C@@]1(C(=O)NCCNCCOC)CC[NH2+]C1 ZINC000367206494 171196056 /nfs/dbraw/zinc/19/60/56/171196056.db2.gz AANPGFKJQBRQCX-GFCCVEGCSA-N 1 3 243.351 -0.272 20 0 BBADHO CC[C@]1(C(=O)NCCNCCOC)CC[NH2+]C1 ZINC000367206495 387550747 /nfs/dbraw/zinc/55/07/47/387550747.db2.gz AANPGFKJQBRQCX-LBPRGKRZSA-N 1 3 243.351 -0.272 20 0 BBADHO C[NH2+][C@@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000367347994 398249135 /nfs/dbraw/zinc/24/91/35/398249135.db2.gz CKTKLHJRYHNYSQ-BIIVOSGPSA-N 1 3 203.261 -0.590 20 0 BBADHO C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000367347995 398249062 /nfs/dbraw/zinc/24/90/62/398249062.db2.gz CKTKLHJRYHNYSQ-GJMOJQLCSA-N 1 3 203.261 -0.590 20 0 BBADHO C[NH2+][C@H](C)CNC(=O)c1[nH]nc2c1CNCC2 ZINC000367350859 387128126 /nfs/dbraw/zinc/12/81/26/387128126.db2.gz YGWWRXPREUNANI-SSDOTTSWSA-N 1 3 237.307 -0.607 20 0 BBADHO C[NH2+][C@@H](C)CNC(=O)c1[nH]nc2c1CNCC2 ZINC000367350860 387128792 /nfs/dbraw/zinc/12/87/92/387128792.db2.gz YGWWRXPREUNANI-ZETCQYMHSA-N 1 3 237.307 -0.607 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNCCOC ZINC000367382362 173371410 /nfs/dbraw/zinc/37/14/10/173371410.db2.gz SWRUFCUVWNGDOF-UWVGGRQHSA-N 1 3 247.314 -0.619 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368008903 174332416 /nfs/dbraw/zinc/33/24/16/174332416.db2.gz VRWOYCKYNPVKDE-GHMZBOCLSA-N 1 3 243.351 -0.273 20 0 BBADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000368041510 182028474 /nfs/dbraw/zinc/02/84/74/182028474.db2.gz BPQXVOZNQXLTJJ-AEJSXWLSSA-N 1 3 229.299 -0.055 20 0 BBADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000368041520 182017297 /nfs/dbraw/zinc/01/72/97/182017297.db2.gz BPQXVOZNQXLTJJ-GUBZILKMSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368042545 388567518 /nfs/dbraw/zinc/56/75/18/388567518.db2.gz FLYHKNWELOUKJC-CSMHCCOUSA-N 1 3 203.261 -0.603 20 0 BBADHO C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368042549 388567407 /nfs/dbraw/zinc/56/74/07/388567407.db2.gz FLYHKNWELOUKJC-FXQIFTODSA-N 1 3 203.261 -0.603 20 0 BBADHO CSCC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368158869 386947043 /nfs/dbraw/zinc/94/70/43/386947043.db2.gz DHBMQVDBRIGZOQ-CIUDSAMLSA-N 1 3 249.355 -0.117 20 0 BBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000368168936 386948534 /nfs/dbraw/zinc/94/85/34/386948534.db2.gz VMGQWSUOQIKFIT-QEYWKRMJSA-N 1 3 245.298 -0.691 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368186147 173374336 /nfs/dbraw/zinc/37/43/36/173374336.db2.gz PRLCSOBCHZCTDT-CIUDSAMLSA-N 1 3 217.288 -0.342 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368186148 173363060 /nfs/dbraw/zinc/36/30/60/173363060.db2.gz PRLCSOBCHZCTDT-VGMNWLOBSA-N 1 3 217.288 -0.342 20 0 BBADHO O=C(C[NH2+]CC1CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368189037 386948264 /nfs/dbraw/zinc/94/82/64/386948264.db2.gz ZXBOMIGJTIQILE-UWVGGRQHSA-N 1 3 229.299 -0.198 20 0 BBADHO CC(C)[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368189044 388568068 /nfs/dbraw/zinc/56/80/68/388568068.db2.gz ZYLXAZDVRSVSGR-CIUDSAMLSA-N 1 3 217.288 -0.214 20 0 BBADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368200898 182030711 /nfs/dbraw/zinc/03/07/11/182030711.db2.gz LBGYOGAGPGXUHR-GUBZILKMSA-N 1 3 245.298 -0.819 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368200901 182022435 /nfs/dbraw/zinc/02/24/35/182022435.db2.gz LBGYOGAGPGXUHR-LPEHRKFASA-N 1 3 245.298 -0.819 20 0 BBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368201308 383830666 /nfs/dbraw/zinc/83/06/66/383830666.db2.gz LOMFESPPXBDBGV-HXFLIBJXSA-N 1 3 217.288 -0.214 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368201309 388568565 /nfs/dbraw/zinc/56/85/65/388568565.db2.gz LOMFESPPXBDBGV-JBDRJPRFSA-N 1 3 217.288 -0.214 20 0 BBADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368201310 388568667 /nfs/dbraw/zinc/56/86/67/388568667.db2.gz LOMFESPPXBDBGV-KZVJFYERSA-N 1 3 217.288 -0.214 20 0 BBADHO C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1)[C@H](C)[NH3+] ZINC000368201311 383830860 /nfs/dbraw/zinc/83/08/60/383830860.db2.gz LOMFESPPXBDBGV-XGEHTFHBSA-N 1 3 217.288 -0.214 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368374138 188082165 /nfs/dbraw/zinc/08/21/65/188082165.db2.gz HUDKALSQYPAPRK-AEJSXWLSSA-N 1 3 211.309 -0.210 20 0 BBADHO CC(C)C[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000368376658 386967126 /nfs/dbraw/zinc/96/71/26/386967126.db2.gz HKATWFRKAKIIQG-UWVGGRQHSA-N 1 3 229.324 -0.454 20 0 BBADHO CC(C)C[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000368376659 187384899 /nfs/dbraw/zinc/38/48/99/187384899.db2.gz HKATWFRKAKIIQG-ZJUUUORDSA-N 1 3 229.324 -0.454 20 0 BBADHO CCC[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368384845 169388461 /nfs/dbraw/zinc/38/84/61/169388461.db2.gz KODSQTRFQOETKJ-IVZWLZJFSA-N 1 3 211.309 -0.066 20 0 BBADHO CCC[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368384846 388568344 /nfs/dbraw/zinc/56/83/44/388568344.db2.gz KODSQTRFQOETKJ-LPEHRKFASA-N 1 3 211.309 -0.066 20 0 BBADHO COCCNCC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368385628 174330969 /nfs/dbraw/zinc/33/09/69/174330969.db2.gz PJINMTNNTACYEA-VHSXEESVSA-N 1 3 227.308 -0.957 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368385934 388568146 /nfs/dbraw/zinc/56/81/46/388568146.db2.gz SBCMKTQBPGEWDQ-GUBZILKMSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368385935 388568214 /nfs/dbraw/zinc/56/82/14/388568214.db2.gz SBCMKTQBPGEWDQ-KXUCPTDWSA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368385936 388568483 /nfs/dbraw/zinc/56/84/83/388568483.db2.gz SBCMKTQBPGEWDQ-LPEHRKFASA-N 1 3 211.309 -0.066 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368385937 388568443 /nfs/dbraw/zinc/56/84/43/388568443.db2.gz SBCMKTQBPGEWDQ-UTLUCORTSA-N 1 3 211.309 -0.066 20 0 BBADHO CCC[C@H](N)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368484123 386979592 /nfs/dbraw/zinc/97/95/92/386979592.db2.gz RBJRRPWQUIMINM-AEJSXWLSSA-N 1 3 227.308 -0.687 20 0 BBADHO CCC[C@@H](N)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368484124 169388163 /nfs/dbraw/zinc/38/81/63/169388163.db2.gz RBJRRPWQUIMINM-BBBLOLIVSA-N 1 3 227.308 -0.687 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)N ZINC000368493684 173371747 /nfs/dbraw/zinc/37/17/47/173371747.db2.gz CFCHNPOKYYBSBQ-CSMHCCOUSA-N 1 3 203.261 -0.508 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)N ZINC000368493685 173371922 /nfs/dbraw/zinc/37/19/22/173371922.db2.gz CFCHNPOKYYBSBQ-FXQIFTODSA-N 1 3 203.261 -0.508 20 0 BBADHO CC[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000368496501 388568844 /nfs/dbraw/zinc/56/88/44/388568844.db2.gz OZKLUMHFNXBRGM-CIUDSAMLSA-N 1 3 217.288 -0.118 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368503463 388569697 /nfs/dbraw/zinc/56/96/97/388569697.db2.gz LGYPQKZZDZXTNN-BBBLOLIVSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000368503463 388569695 /nfs/dbraw/zinc/56/96/95/388569695.db2.gz LGYPQKZZDZXTNN-BBBLOLIVSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368503464 388568884 /nfs/dbraw/zinc/56/88/84/388568884.db2.gz LGYPQKZZDZXTNN-KXUCPTDWSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368503464 388568882 /nfs/dbraw/zinc/56/88/82/388568882.db2.gz LGYPQKZZDZXTNN-KXUCPTDWSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368503465 388569542 /nfs/dbraw/zinc/56/95/42/388569542.db2.gz LGYPQKZZDZXTNN-OPRDCNLKSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368503465 388569538 /nfs/dbraw/zinc/56/95/38/388569538.db2.gz LGYPQKZZDZXTNN-OPRDCNLKSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368503466 388569724 /nfs/dbraw/zinc/56/97/24/388569724.db2.gz LGYPQKZZDZXTNN-UTLUCORTSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000368503466 388569723 /nfs/dbraw/zinc/56/97/23/388569723.db2.gz LGYPQKZZDZXTNN-UTLUCORTSA-N 1 3 211.309 -0.114 20 0 BBADHO COCC[C@]1(C(=O)NCCN(C)C)CC[NH2+]C1 ZINC000368597713 386990794 /nfs/dbraw/zinc/99/07/94/386990794.db2.gz KEYKXJLJDRVIRD-GFCCVEGCSA-N 1 3 243.351 -0.320 20 0 BBADHO COCC[C@@]1(C(=O)NCCN(C)C)CC[NH2+]C1 ZINC000368597714 386991702 /nfs/dbraw/zinc/99/17/02/386991702.db2.gz KEYKXJLJDRVIRD-LBPRGKRZSA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000368598618 388569687 /nfs/dbraw/zinc/56/96/87/388569687.db2.gz QFZOTSHMKQMLGQ-SECBINFHSA-N 1 3 203.261 -0.634 20 0 BBADHO CN(C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000368598619 172460868 /nfs/dbraw/zinc/46/08/68/172460868.db2.gz QFZOTSHMKQMLGQ-VIFPVBQESA-N 1 3 203.261 -0.634 20 0 BBADHO C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368642554 388569949 /nfs/dbraw/zinc/56/99/49/388569949.db2.gz KPHDNBMINFETPA-CSMHCCOUSA-N 1 3 203.261 -0.460 20 0 BBADHO C[C@H]([NH3+])CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368642562 388570082 /nfs/dbraw/zinc/57/00/82/388570082.db2.gz KPHDNBMINFETPA-FXQIFTODSA-N 1 3 203.261 -0.460 20 0 BBADHO COCCNCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368644301 174331731 /nfs/dbraw/zinc/33/17/31/174331731.db2.gz CRLHWXIWBDDJND-IUCAKERBSA-N 1 3 233.287 -0.961 20 0 BBADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368647624 386997286 /nfs/dbraw/zinc/99/72/86/386997286.db2.gz NTVMUSXWKBQCHC-GARJFASQSA-N 1 3 223.320 -0.051 20 0 BBADHO O=C([C@H]1CCCCN1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368647625 386997312 /nfs/dbraw/zinc/99/73/12/386997312.db2.gz NTVMUSXWKBQCHC-HBNTYKKESA-N 1 3 223.320 -0.051 20 0 BBADHO C[NH2+]CCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368648043 173341038 /nfs/dbraw/zinc/34/10/38/173341038.db2.gz QGRWALCSIFMMIC-YUMQZZPRSA-N 1 3 203.261 -0.588 20 0 BBADHO CCC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368648855 388569976 /nfs/dbraw/zinc/56/99/76/388569976.db2.gz YBFDWKWYMLVFLG-CIUDSAMLSA-N 1 3 217.288 -0.070 20 0 BBADHO CCC[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368648856 169389484 /nfs/dbraw/zinc/38/94/84/169389484.db2.gz YBFDWKWYMLVFLG-XHNCKOQMSA-N 1 3 217.288 -0.070 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368649016 387000514 /nfs/dbraw/zinc/00/05/14/387000514.db2.gz ZIGLDZKTESBTLQ-AATLWQCWSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368649017 387000015 /nfs/dbraw/zinc/00/00/15/387000015.db2.gz ZIGLDZKTESBTLQ-AXTSPUMRSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+][C@H]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368649018 386999773 /nfs/dbraw/zinc/99/97/73/386999773.db2.gz ZIGLDZKTESBTLQ-QEYWKRMJSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+][C@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368649019 386999684 /nfs/dbraw/zinc/99/96/84/386999684.db2.gz ZIGLDZKTESBTLQ-XKNYDFJKSA-N 1 3 229.299 -0.070 20 0 BBADHO OCCN1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC000368768058 183072245 /nfs/dbraw/zinc/07/22/45/183072245.db2.gz YBVAEYFUPNWCFA-UHFFFAOYSA-N 1 3 228.336 -0.241 20 0 BBADHO OCCN1CCC2(CC[N@H+](CCO)C2)CC1 ZINC000368768058 183072243 /nfs/dbraw/zinc/07/22/43/183072243.db2.gz YBVAEYFUPNWCFA-UHFFFAOYSA-N 1 3 228.336 -0.241 20 0 BBADHO C[C@@H]([NH3+])CCNC(=O)c1[nH]nc2c1CNCC2 ZINC000369884913 387074263 /nfs/dbraw/zinc/07/42/63/387074263.db2.gz UJHJOFIMPXYKJO-SSDOTTSWSA-N 1 3 237.307 -0.478 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)c1[nH]nc2c1CNCC2 ZINC000369884914 387075470 /nfs/dbraw/zinc/07/54/70/387075470.db2.gz UJHJOFIMPXYKJO-ZETCQYMHSA-N 1 3 237.307 -0.478 20 0 BBADHO COCCN(C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370768352 174276556 /nfs/dbraw/zinc/27/65/56/174276556.db2.gz ZZQQDOZDFAUDSO-LLVKDONJSA-N 1 3 247.314 -0.618 20 0 BBADHO COCCN(C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370768353 174277275 /nfs/dbraw/zinc/27/72/75/174277275.db2.gz ZZQQDOZDFAUDSO-NSHDSACASA-N 1 3 247.314 -0.618 20 0 BBADHO NCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773534 181350041 /nfs/dbraw/zinc/35/00/41/181350041.db2.gz ONJQDIJNERAWNE-AXFHLTTASA-N 1 3 223.320 -0.112 20 0 BBADHO NCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773534 181350039 /nfs/dbraw/zinc/35/00/39/181350039.db2.gz ONJQDIJNERAWNE-AXFHLTTASA-N 1 3 223.320 -0.112 20 0 BBADHO NCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773535 181350525 /nfs/dbraw/zinc/35/05/25/181350525.db2.gz ONJQDIJNERAWNE-DCAQKATOSA-N 1 3 223.320 -0.112 20 0 BBADHO NCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773535 181350522 /nfs/dbraw/zinc/35/05/22/181350522.db2.gz ONJQDIJNERAWNE-DCAQKATOSA-N 1 3 223.320 -0.112 20 0 BBADHO NCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773536 181349468 /nfs/dbraw/zinc/34/94/68/181349468.db2.gz ONJQDIJNERAWNE-GARJFASQSA-N 1 3 223.320 -0.112 20 0 BBADHO NCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773536 181349465 /nfs/dbraw/zinc/34/94/65/181349465.db2.gz ONJQDIJNERAWNE-GARJFASQSA-N 1 3 223.320 -0.112 20 0 BBADHO NCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773537 181350750 /nfs/dbraw/zinc/35/07/50/181350750.db2.gz ONJQDIJNERAWNE-HBNTYKKESA-N 1 3 223.320 -0.112 20 0 BBADHO NCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773537 181350746 /nfs/dbraw/zinc/35/07/46/181350746.db2.gz ONJQDIJNERAWNE-HBNTYKKESA-N 1 3 223.320 -0.112 20 0 BBADHO CCN(C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370783516 384852423 /nfs/dbraw/zinc/85/24/23/384852423.db2.gz ZBVRLMFZMWZYFB-JTQLQIEISA-N 1 3 217.288 -0.244 20 0 BBADHO CCN(C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370783519 384853288 /nfs/dbraw/zinc/85/32/88/384853288.db2.gz ZBVRLMFZMWZYFB-SNVBAGLBSA-N 1 3 217.288 -0.244 20 0 BBADHO NC1(C(=O)NCCC[NH3+])Cc2ccccc2C1 ZINC000371285609 181380672 /nfs/dbraw/zinc/38/06/72/181380672.db2.gz VBGQZEWYBQSWSX-UHFFFAOYSA-N 1 3 233.315 -0.052 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@]1(F)CCNC1 ZINC000371312078 174333129 /nfs/dbraw/zinc/33/31/29/174333129.db2.gz AHWBSHINQQVDHU-JTQLQIEISA-N 1 3 233.287 -0.960 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@@]1(F)CCNC1 ZINC000371312081 174332065 /nfs/dbraw/zinc/33/20/65/174332065.db2.gz AHWBSHINQQVDHU-SNVBAGLBSA-N 1 3 233.287 -0.960 20 0 BBADHO NC1(C(=O)NCC[NH3+])Cc2ccccc2C1 ZINC000372022862 181393449 /nfs/dbraw/zinc/39/34/49/181393449.db2.gz AGHFFDZIJSMWPJ-UHFFFAOYSA-N 1 3 219.288 -0.442 20 0 BBADHO C[C@](C[NH3+])(NC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000372118269 387273040 /nfs/dbraw/zinc/27/30/40/387273040.db2.gz FLNLPLMZDYECIH-GHMZBOCLSA-N 1 3 229.299 -0.068 20 0 BBADHO C[C@](C[NH3+])(NC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000372118270 387272786 /nfs/dbraw/zinc/27/27/86/387272786.db2.gz FLNLPLMZDYECIH-MNOVXSKESA-N 1 3 229.299 -0.068 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000372118271 387273640 /nfs/dbraw/zinc/27/36/40/387273640.db2.gz FLNLPLMZDYECIH-QWRGUYRKSA-N 1 3 229.299 -0.068 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000372118272 387274021 /nfs/dbraw/zinc/27/40/21/387274021.db2.gz FLNLPLMZDYECIH-WDEREUQCSA-N 1 3 229.299 -0.068 20 0 BBADHO C[NH+](C)CCCNC(=O)[C@]1(F)CCNC1 ZINC000372120635 387273065 /nfs/dbraw/zinc/27/30/65/387273065.db2.gz DBJNOFWOZFDYKV-JTQLQIEISA-N 1 3 217.288 -0.244 20 0 BBADHO C[NH+](C)CCCNC(=O)[C@@]1(F)CCNC1 ZINC000372120637 387273011 /nfs/dbraw/zinc/27/30/11/387273011.db2.gz DBJNOFWOZFDYKV-SNVBAGLBSA-N 1 3 217.288 -0.244 20 0 BBADHO CN1CCC[C@H]1CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000372124908 173052275 /nfs/dbraw/zinc/05/22/75/173052275.db2.gz WPEVFRWODQXXJN-SDDRHHMPSA-N 1 3 228.336 -0.102 20 0 BBADHO CN1CCC[C@H]1CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000372124908 173052273 /nfs/dbraw/zinc/05/22/73/173052273.db2.gz WPEVFRWODQXXJN-SDDRHHMPSA-N 1 3 228.336 -0.102 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000372477382 171393892 /nfs/dbraw/zinc/39/38/92/171393892.db2.gz DVIVTJVAXXJQCI-AEJSXWLSSA-N 1 3 229.324 -0.454 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000372477383 171394532 /nfs/dbraw/zinc/39/45/32/171394532.db2.gz DVIVTJVAXXJQCI-GUBZILKMSA-N 1 3 229.324 -0.454 20 0 BBADHO CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000372477384 171369533 /nfs/dbraw/zinc/36/95/33/171369533.db2.gz DVIVTJVAXXJQCI-IVZWLZJFSA-N 1 3 229.324 -0.454 20 0 BBADHO CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000372477385 171370262 /nfs/dbraw/zinc/37/02/62/171370262.db2.gz DVIVTJVAXXJQCI-LPEHRKFASA-N 1 3 229.324 -0.454 20 0 BBADHO [NH3+][C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000372571429 384516408 /nfs/dbraw/zinc/51/64/08/384516408.db2.gz MTNFAGSKJXRANA-XHNCKOQMSA-N 1 3 215.272 -0.364 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)C1(N)Cc2ccccc2C1 ZINC000372796274 387329832 /nfs/dbraw/zinc/32/98/32/387329832.db2.gz BSNJOVLEPMNBES-VIFPVBQESA-N 1 3 233.315 -0.054 20 0 BBADHO CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372867308 387332645 /nfs/dbraw/zinc/33/26/45/387332645.db2.gz GXIKQGHXZNNABY-GARJFASQSA-N 1 3 241.335 -0.690 20 0 BBADHO [NH3+][C@H](CNC(=O)c1[nH]nc2c1CNCC2)C1CC1 ZINC000372904424 387334635 /nfs/dbraw/zinc/33/46/35/387334635.db2.gz NMFNWJJBKUREDB-SECBINFHSA-N 1 3 249.318 -0.478 20 0 BBADHO [NH3+][C@@H](CNC(=O)c1[nH]nc2c1CNCC2)C1CC1 ZINC000372904433 387334747 /nfs/dbraw/zinc/33/47/47/387334747.db2.gz NMFNWJJBKUREDB-VIFPVBQESA-N 1 3 249.318 -0.478 20 0 BBADHO C[NH2+]CCN(C)C(=O)[C@H]1C[C@H](F)CN1 ZINC000372908454 173352306 /nfs/dbraw/zinc/35/23/06/173352306.db2.gz ZFIBCDJNAAOJNR-JGVFFNPUSA-N 1 3 203.261 -0.636 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372908536 384531675 /nfs/dbraw/zinc/53/16/75/384531675.db2.gz CTTAAMCNZFFWRX-BDAKNGLRSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372908537 384532982 /nfs/dbraw/zinc/53/29/82/384532982.db2.gz CTTAAMCNZFFWRX-DTWKUNHWSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372908538 384532442 /nfs/dbraw/zinc/53/24/42/384532442.db2.gz CTTAAMCNZFFWRX-IUCAKERBSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372908539 384533098 /nfs/dbraw/zinc/53/30/98/384533098.db2.gz CTTAAMCNZFFWRX-RKDXNWHRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)[C@]1(F)CCNC1 ZINC000373030226 384551705 /nfs/dbraw/zinc/55/17/05/384551705.db2.gz SBUXQWNYZSUTIO-APPZFPTMSA-N 1 3 203.261 -0.506 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)[C@]1(F)CCNC1 ZINC000373030228 384551365 /nfs/dbraw/zinc/55/13/65/384551365.db2.gz SBUXQWNYZSUTIO-CBAPKCEASA-N 1 3 203.261 -0.506 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)[C@@]1(F)CCNC1 ZINC000373030229 384551470 /nfs/dbraw/zinc/55/14/70/384551470.db2.gz SBUXQWNYZSUTIO-IONNQARKSA-N 1 3 203.261 -0.506 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)[C@@]1(F)CCNC1 ZINC000373030231 384551739 /nfs/dbraw/zinc/55/17/39/384551739.db2.gz SBUXQWNYZSUTIO-VXNVDRBHSA-N 1 3 203.261 -0.506 20 0 BBADHO [NH3+]CC1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000373039594 181365138 /nfs/dbraw/zinc/36/51/38/181365138.db2.gz IPMHYVRXMPEUGX-LLVKDONJSA-N 1 3 229.299 -0.115 20 0 BBADHO [NH3+]CC1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000373039595 181365349 /nfs/dbraw/zinc/36/53/49/181365349.db2.gz IPMHYVRXMPEUGX-NSHDSACASA-N 1 3 229.299 -0.115 20 0 BBADHO COCCNCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373428213 174332884 /nfs/dbraw/zinc/33/28/84/174332884.db2.gz XCJZYOOHCGBWGH-CMPLNLGQSA-N 1 3 241.335 -0.662 20 0 BBADHO COCCNCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373428217 174332828 /nfs/dbraw/zinc/33/28/28/174332828.db2.gz XCJZYOOHCGBWGH-JQWIXIFHSA-N 1 3 241.335 -0.662 20 0 BBADHO COCCNCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000373428218 174333566 /nfs/dbraw/zinc/33/35/66/174333566.db2.gz XCJZYOOHCGBWGH-PWSUYJOCSA-N 1 3 241.335 -0.662 20 0 BBADHO COCCNCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373428219 174332005 /nfs/dbraw/zinc/33/20/05/174332005.db2.gz XCJZYOOHCGBWGH-ZYHUDNBSSA-N 1 3 241.335 -0.662 20 0 BBADHO CCC[C@@](C)(N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000373461149 387373036 /nfs/dbraw/zinc/37/30/36/387373036.db2.gz LXHYQNBXAUYNSB-GXSJLCMTSA-N 1 3 229.324 -0.310 20 0 BBADHO CCC[C@](C)(N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000373461150 387373453 /nfs/dbraw/zinc/37/34/53/387373453.db2.gz LXHYQNBXAUYNSB-KOLCDFICSA-N 1 3 229.324 -0.310 20 0 BBADHO CCC[C@@](C)(N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000373461151 387372999 /nfs/dbraw/zinc/37/29/99/387372999.db2.gz LXHYQNBXAUYNSB-MWLCHTKSSA-N 1 3 229.324 -0.310 20 0 BBADHO CCC[C@](C)(N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000373461152 387372597 /nfs/dbraw/zinc/37/25/97/387372597.db2.gz LXHYQNBXAUYNSB-ONGXEEELSA-N 1 3 229.324 -0.310 20 0 BBADHO CNCC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000374126277 173328066 /nfs/dbraw/zinc/32/80/66/173328066.db2.gz UTSJBMMOVXHDOQ-NXEZZACHSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000374126277 173328064 /nfs/dbraw/zinc/32/80/64/173328064.db2.gz UTSJBMMOVXHDOQ-NXEZZACHSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000374126278 173327279 /nfs/dbraw/zinc/32/72/79/173327279.db2.gz UTSJBMMOVXHDOQ-UWVGGRQHSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000374126278 173327278 /nfs/dbraw/zinc/32/72/78/173327278.db2.gz UTSJBMMOVXHDOQ-UWVGGRQHSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000374126279 173328007 /nfs/dbraw/zinc/32/80/07/173328007.db2.gz UTSJBMMOVXHDOQ-VHSXEESVSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000374126279 173328005 /nfs/dbraw/zinc/32/80/05/173328005.db2.gz UTSJBMMOVXHDOQ-VHSXEESVSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000374126280 173327190 /nfs/dbraw/zinc/32/71/90/173327190.db2.gz UTSJBMMOVXHDOQ-ZJUUUORDSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000374126280 173327188 /nfs/dbraw/zinc/32/71/88/173327188.db2.gz UTSJBMMOVXHDOQ-ZJUUUORDSA-N 1 3 211.309 -0.242 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000374645413 346543569 /nfs/dbraw/zinc/54/35/69/346543569.db2.gz NZISQIOLTNFYAK-KATARQTJSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374645417 346543371 /nfs/dbraw/zinc/54/33/71/346543371.db2.gz NZISQIOLTNFYAK-RGOKHQFPSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374645419 346543270 /nfs/dbraw/zinc/54/32/70/346543270.db2.gz NZISQIOLTNFYAK-UTINFBMNSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000374645420 346543353 /nfs/dbraw/zinc/54/33/53/346543353.db2.gz NZISQIOLTNFYAK-XFWSIPNHSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CCNC2)CC[NH2+]1 ZINC000376465767 387636927 /nfs/dbraw/zinc/63/69/27/387636927.db2.gz ZFDAWDPMGUOCGN-FXPVBKGRSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)[C@]2(F)CCNC2)CC[NH2+]1 ZINC000376465769 387636915 /nfs/dbraw/zinc/63/69/15/387636915.db2.gz ZFDAWDPMGUOCGN-KKZNHRDASA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CCNC2)CC[NH2+]1 ZINC000376465770 176374007 /nfs/dbraw/zinc/37/40/07/176374007.db2.gz ZFDAWDPMGUOCGN-WCABBAIRSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(F)CCNC2)CC[NH2+]1 ZINC000376465771 176374039 /nfs/dbraw/zinc/37/40/39/176374039.db2.gz ZFDAWDPMGUOCGN-YWVKMMECSA-N 1 3 229.299 -0.055 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CCNC1 ZINC000376695867 173368880 /nfs/dbraw/zinc/36/88/80/173368880.db2.gz RLMNTYPHNXHLQJ-GXSJLCMTSA-N 1 3 229.299 -0.102 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CCNC1 ZINC000376695868 173379894 /nfs/dbraw/zinc/37/98/94/173379894.db2.gz RLMNTYPHNXHLQJ-KOLCDFICSA-N 1 3 229.299 -0.102 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CCNC1 ZINC000376695869 173380233 /nfs/dbraw/zinc/38/02/33/173380233.db2.gz RLMNTYPHNXHLQJ-MWLCHTKSSA-N 1 3 229.299 -0.102 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CCNC1 ZINC000376695870 173368788 /nfs/dbraw/zinc/36/87/88/173368788.db2.gz RLMNTYPHNXHLQJ-ONGXEEELSA-N 1 3 229.299 -0.102 20 0 BBADHO COCCNCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377128539 174331653 /nfs/dbraw/zinc/33/16/53/174331653.db2.gz QMHBCZRHLBNEJZ-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO [NH3+][C@H](CNC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000377196895 385017258 /nfs/dbraw/zinc/01/72/58/385017258.db2.gz KAZAIKSMYBUMJX-PSASIEDQSA-N 1 3 215.272 -0.459 20 0 BBADHO [NH3+][C@H](CNC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000377196896 385017975 /nfs/dbraw/zinc/01/79/75/385017975.db2.gz KAZAIKSMYBUMJX-SCZZXKLOSA-N 1 3 215.272 -0.459 20 0 BBADHO [NH3+][C@@H](CNC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000377196897 385017517 /nfs/dbraw/zinc/01/75/17/385017517.db2.gz KAZAIKSMYBUMJX-WCBMZHEXSA-N 1 3 215.272 -0.459 20 0 BBADHO [NH3+][C@@H](CNC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000377196898 385015862 /nfs/dbraw/zinc/01/58/62/385015862.db2.gz KAZAIKSMYBUMJX-WPRPVWTQSA-N 1 3 215.272 -0.459 20 0 BBADHO C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N(C)C1CC1 ZINC000377274340 387707457 /nfs/dbraw/zinc/70/74/57/387707457.db2.gz YBJCXTVCVIYWKV-INTQDDNPSA-N 1 3 241.335 -0.692 20 0 BBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000377402436 188078685 /nfs/dbraw/zinc/07/86/85/188078685.db2.gz RDCNZMNFMRNDPM-JZYVYDRUSA-N 1 3 211.309 -0.339 20 0 BBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(F)CCNC1 ZINC000377559428 385115294 /nfs/dbraw/zinc/11/52/94/385115294.db2.gz CWLLHHMQSMYSKD-KHQFGBGNSA-N 1 3 215.272 -0.364 20 0 BBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@]1(F)CCNC1 ZINC000377559429 385114471 /nfs/dbraw/zinc/11/44/71/385114471.db2.gz CWLLHHMQSMYSKD-MRTMQBJTSA-N 1 3 215.272 -0.364 20 0 BBADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@]1(F)CCNC1 ZINC000377559430 385115040 /nfs/dbraw/zinc/11/50/40/385115040.db2.gz CWLLHHMQSMYSKD-NQMVMOMDSA-N 1 3 215.272 -0.364 20 0 BBADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(F)CCNC1 ZINC000377559431 385114607 /nfs/dbraw/zinc/11/46/07/385114607.db2.gz CWLLHHMQSMYSKD-WEDXCCLWSA-N 1 3 215.272 -0.364 20 0 BBADHO CC[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377562481 387727236 /nfs/dbraw/zinc/72/72/36/387727236.db2.gz JSFJTLYBVRZYOT-MNOVXSKESA-N 1 3 240.351 -0.770 20 0 BBADHO CC[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377562509 387724909 /nfs/dbraw/zinc/72/49/09/387724909.db2.gz JSFJTLYBVRZYOT-QWRGUYRKSA-N 1 3 240.351 -0.770 20 0 BBADHO COCCCN1CCCN(C(=O)CC[NH3+])CC1 ZINC000378202905 174228483 /nfs/dbraw/zinc/22/84/83/174228483.db2.gz PDVULBAEPGNMQZ-UHFFFAOYSA-N 1 3 243.351 -0.094 20 0 BBADHO C[NH2+]CC(=O)N1CCCN(CCCOC)CC1 ZINC000378205099 173326057 /nfs/dbraw/zinc/32/60/57/173326057.db2.gz YSKHJEYXWAJWFN-UHFFFAOYSA-N 1 3 243.351 -0.223 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)C[C@H]21 ZINC000378640381 173157166 /nfs/dbraw/zinc/15/71/66/173157166.db2.gz VWULGZNUCWSHFL-GXSJLCMTSA-N 1 3 223.320 -0.242 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000378640382 173127052 /nfs/dbraw/zinc/12/70/52/173127052.db2.gz VWULGZNUCWSHFL-KOLCDFICSA-N 1 3 223.320 -0.242 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)C[C@H]21 ZINC000378640383 173127532 /nfs/dbraw/zinc/12/75/32/173127532.db2.gz VWULGZNUCWSHFL-MWLCHTKSSA-N 1 3 223.320 -0.242 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000378640384 173158479 /nfs/dbraw/zinc/15/84/79/173158479.db2.gz VWULGZNUCWSHFL-ONGXEEELSA-N 1 3 223.320 -0.242 20 0 BBADHO CC[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378672625 388482266 /nfs/dbraw/zinc/48/22/66/388482266.db2.gz LMQFLAWUBLJADK-BIIVOSGPSA-N 1 3 203.261 -0.460 20 0 BBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@H](F)CN1 ZINC000378673423 385460736 /nfs/dbraw/zinc/46/07/36/385460736.db2.gz MKXHDLAKJYNRLZ-OFPUPOEVSA-N 1 3 213.256 -0.980 20 0 BBADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000378678700 388482157 /nfs/dbraw/zinc/48/21/57/388482157.db2.gz SMHDUAFUVONJBY-CIUDSAMLSA-N 1 3 217.288 -0.070 20 0 BBADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000378678701 388482872 /nfs/dbraw/zinc/48/28/72/388482872.db2.gz SMHDUAFUVONJBY-VGMNWLOBSA-N 1 3 217.288 -0.070 20 0 BBADHO C[C@@H](N)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000378715158 346814195 /nfs/dbraw/zinc/81/41/95/346814195.db2.gz YDXPXBROLSCQSI-FKTZTGRPSA-N 1 3 211.309 -0.162 20 0 BBADHO CNCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000378724173 346817909 /nfs/dbraw/zinc/81/79/09/346817909.db2.gz ALEAEUXMOSWCDE-AOOOYVTPSA-N 1 3 211.309 -0.336 20 0 BBADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378736816 388490174 /nfs/dbraw/zinc/49/01/74/388490174.db2.gz ZYLXAZDVRSVSGR-XHNCKOQMSA-N 1 3 217.288 -0.214 20 0 BBADHO CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCN1 ZINC000378747634 388494344 /nfs/dbraw/zinc/49/43/44/388494344.db2.gz SCXQUYXHJYMARP-NXEZZACHSA-N 1 3 211.309 -0.195 20 0 BBADHO [NH3+]CCCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000378757150 388496875 /nfs/dbraw/zinc/49/68/75/388496875.db2.gz YQIYVZIEOBLGLP-IUCAKERBSA-N 1 3 217.288 -0.068 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000378759279 346826388 /nfs/dbraw/zinc/82/63/88/346826388.db2.gz ALSHHBSKQZKRKF-HLTSFMKQSA-N 1 3 215.297 -0.654 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000378759282 346825988 /nfs/dbraw/zinc/82/59/88/346825988.db2.gz ALSHHBSKQZKRKF-IWSPIJDZSA-N 1 3 215.297 -0.654 20 0 BBADHO CC[C@@H](N)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000378793475 487670294 /nfs/dbraw/zinc/67/02/94/487670294.db2.gz OZKLUMHFNXBRGM-XHNCKOQMSA-N 1 3 217.288 -0.118 20 0 BBADHO CNCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000378799430 345575702 /nfs/dbraw/zinc/57/57/02/345575702.db2.gz SNAGCVBPGHGLON-VHSXEESVSA-N 1 3 211.309 -0.290 20 0 BBADHO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCCNCC1 ZINC000378807844 388508606 /nfs/dbraw/zinc/50/86/06/388508606.db2.gz XYWGABCXGSJGSU-BBBLOLIVSA-N 1 3 209.293 -0.441 20 0 BBADHO C[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000378856443 357398694 /nfs/dbraw/zinc/39/86/94/357398694.db2.gz KRIWHHCSZYAKED-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000378856444 346849518 /nfs/dbraw/zinc/84/95/18/346849518.db2.gz KRIWHHCSZYAKED-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO CC1(C)CNCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000379430783 398146197 /nfs/dbraw/zinc/14/61/97/398146197.db2.gz FBNWSCDSVXYTFL-SECBINFHSA-N 1 3 211.309 -0.051 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)CNCCOC ZINC000379466471 343520495 /nfs/dbraw/zinc/52/04/95/343520495.db2.gz XVXFCKVDUVUJPU-SECBINFHSA-N 1 3 217.313 -0.663 20 0 BBADHO COC[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000379511808 712386731 /nfs/dbraw/zinc/38/67/31/712386731.db2.gz YUZSULLNFFEBPD-NXEZZACHSA-N 1 3 202.298 -0.336 20 0 BBADHO COC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000379511818 712386696 /nfs/dbraw/zinc/38/66/96/712386696.db2.gz YUZSULLNFFEBPD-UWVGGRQHSA-N 1 3 202.298 -0.336 20 0 BBADHO COC[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000379511821 712386719 /nfs/dbraw/zinc/38/67/19/712386719.db2.gz YUZSULLNFFEBPD-VHSXEESVSA-N 1 3 202.298 -0.336 20 0 BBADHO COC[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000379511845 712386434 /nfs/dbraw/zinc/38/64/34/712386434.db2.gz YUZSULLNFFEBPD-ZJUUUORDSA-N 1 3 202.298 -0.336 20 0 BBADHO Cc1nc(CNC(CN)C[NH3+])cs1 ZINC000379603244 712389713 /nfs/dbraw/zinc/38/97/13/712389713.db2.gz NPQRZPUGRYWACL-UHFFFAOYSA-N 1 3 200.311 -0.173 20 0 BBADHO C[NH2+][C@@H](C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000379856667 712617457 /nfs/dbraw/zinc/61/74/57/712617457.db2.gz ICAICLPNQGIEKW-DCAQKATOSA-N 1 3 241.335 -0.426 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000379868581 712619366 /nfs/dbraw/zinc/61/93/66/712619366.db2.gz OFJOIQBZUWRLIY-MNOVXSKESA-N 1 3 241.335 -0.487 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000379868585 712619364 /nfs/dbraw/zinc/61/93/64/712619364.db2.gz OFJOIQBZUWRLIY-QWRGUYRKSA-N 1 3 241.335 -0.487 20 0 BBADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)CO)C[C@@H]2C1 ZINC000379894258 712621237 /nfs/dbraw/zinc/62/12/37/712621237.db2.gz BLYKKSSAZZYQKG-OUAUKWLOSA-N 1 3 214.309 -0.777 20 0 BBADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)CO)C[C@@H]2C1 ZINC000379894258 712621236 /nfs/dbraw/zinc/62/12/36/712621236.db2.gz BLYKKSSAZZYQKG-OUAUKWLOSA-N 1 3 214.309 -0.777 20 0 BBADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)CO)C[C@@H]2C1 ZINC000379894259 712621251 /nfs/dbraw/zinc/62/12/51/712621251.db2.gz BLYKKSSAZZYQKG-VWYCJHECSA-N 1 3 214.309 -0.777 20 0 BBADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)CO)C[C@@H]2C1 ZINC000379894259 712621250 /nfs/dbraw/zinc/62/12/50/712621250.db2.gz BLYKKSSAZZYQKG-VWYCJHECSA-N 1 3 214.309 -0.777 20 0 BBADHO CC[N@@H+](C)C[C@H](O)CN[C@@H](C)[C@@H](C)CO ZINC000379962065 365765980 /nfs/dbraw/zinc/76/59/80/365765980.db2.gz HEUWXGONXQKRLR-GARJFASQSA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@H+](C)C[C@H](O)CN[C@@H](C)[C@@H](C)CO ZINC000379962065 365765974 /nfs/dbraw/zinc/76/59/74/365765974.db2.gz HEUWXGONXQKRLR-GARJFASQSA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@@H+](C)C[C@H](O)CN[C@H](C)[C@H](C)CO ZINC000379962070 365765744 /nfs/dbraw/zinc/76/57/44/365765744.db2.gz HEUWXGONXQKRLR-GMTAPVOTSA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@H+](C)C[C@H](O)CN[C@H](C)[C@H](C)CO ZINC000379962070 365765736 /nfs/dbraw/zinc/76/57/36/365765736.db2.gz HEUWXGONXQKRLR-GMTAPVOTSA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@@H+](C)C[C@H](O)CN[C@H](C)[C@@H](C)CO ZINC000379962085 365767305 /nfs/dbraw/zinc/76/73/05/365767305.db2.gz HEUWXGONXQKRLR-HBNTYKKESA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@H+](C)C[C@H](O)CN[C@H](C)[C@@H](C)CO ZINC000379962085 365767300 /nfs/dbraw/zinc/76/73/00/365767300.db2.gz HEUWXGONXQKRLR-HBNTYKKESA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@@H+](C)C[C@H](O)CN[C@@H](C)[C@H](C)CO ZINC000379962090 365767156 /nfs/dbraw/zinc/76/71/56/365767156.db2.gz HEUWXGONXQKRLR-OUAUKWLOSA-N 1 3 218.341 -0.095 20 0 BBADHO CC[N@H+](C)C[C@H](O)CN[C@@H](C)[C@H](C)CO ZINC000379962090 365767152 /nfs/dbraw/zinc/76/71/52/365767152.db2.gz HEUWXGONXQKRLR-OUAUKWLOSA-N 1 3 218.341 -0.095 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](CN)OC ZINC000380020292 365810982 /nfs/dbraw/zinc/81/09/82/365810982.db2.gz OBIFCJVJAOEIJM-HTQZYQBOSA-N 1 3 203.286 -0.926 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)[C@H](CN)OC ZINC000380020294 365810797 /nfs/dbraw/zinc/81/07/97/365810797.db2.gz OBIFCJVJAOEIJM-SFYZADRCSA-N 1 3 203.286 -0.926 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000380179486 344707328 /nfs/dbraw/zinc/70/73/28/344707328.db2.gz FWAIEEITEMTPSB-HTQZYQBOSA-N 1 3 203.286 -0.940 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H]([NH3+])C(C)C ZINC000380179502 343329032 /nfs/dbraw/zinc/32/90/32/343329032.db2.gz FWAIEEITEMTPSB-JGVFFNPUSA-N 1 3 203.286 -0.940 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000380179515 343340542 /nfs/dbraw/zinc/34/05/42/343340542.db2.gz FWAIEEITEMTPSB-SFYZADRCSA-N 1 3 203.286 -0.940 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]([NH3+])C(C)C ZINC000380179522 367153163 /nfs/dbraw/zinc/15/31/63/367153163.db2.gz FWAIEEITEMTPSB-YUMQZZPRSA-N 1 3 203.286 -0.940 20 0 BBADHO C[NH+](C)CCOCCNC(=O)[C@@H](N)CC1CC1 ZINC000380204600 711594533 /nfs/dbraw/zinc/59/45/33/711594533.db2.gz RYERJRAQFUSQDA-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO C[NH2+]CCN(C)C(=O)C(N)C(F)(F)F ZINC000380248458 367160520 /nfs/dbraw/zinc/16/05/20/367160520.db2.gz ORRQRXWOFCZCSI-RXMQYKEDSA-N 1 3 213.203 -0.446 20 0 BBADHO C[NH2+]CCN(C)C(=O)C(N)C(F)(F)F ZINC000380248470 367160161 /nfs/dbraw/zinc/16/01/61/367160161.db2.gz ORRQRXWOFCZCSI-YFKPBYRVSA-N 1 3 213.203 -0.446 20 0 BBADHO CC[NH2+]CCCNC(=O)[C@@H](CN)OC ZINC000380266017 344240746 /nfs/dbraw/zinc/24/07/46/344240746.db2.gz UEOIIXDXDNUAGQ-MRVPVSSYSA-N 1 3 203.286 -0.924 20 0 BBADHO CC[NH2+]CCCNC(=O)[C@H](CN)OC ZINC000380266020 344240631 /nfs/dbraw/zinc/24/06/31/344240631.db2.gz UEOIIXDXDNUAGQ-QMMMGPOBSA-N 1 3 203.286 -0.924 20 0 BBADHO CSCC[C@@H](N)C(=O)N(C)CCC[NH3+] ZINC000380266854 343717016 /nfs/dbraw/zinc/71/70/16/343717016.db2.gz UMRNNIPAFLQXKG-MRVPVSSYSA-N 1 3 219.354 -0.126 20 0 BBADHO CSCC[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000380327103 343980433 /nfs/dbraw/zinc/98/04/33/343980433.db2.gz MNWWIBRZCSVAOA-SSDOTTSWSA-N 1 3 219.354 -0.080 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)C(N)C(F)(F)F ZINC000380328918 398195408 /nfs/dbraw/zinc/19/54/08/398195408.db2.gz NGVGSIQURNXSBI-CRCLSJGQSA-N 1 3 213.203 -0.413 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)C(N)C(F)(F)F ZINC000380328919 398195578 /nfs/dbraw/zinc/19/55/78/398195578.db2.gz NGVGSIQURNXSBI-RFZPGFLSSA-N 1 3 213.203 -0.413 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)C(N)C(F)(F)F ZINC000380328920 398195544 /nfs/dbraw/zinc/19/55/44/398195544.db2.gz NGVGSIQURNXSBI-UHNVWZDZSA-N 1 3 213.203 -0.413 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)C(N)C(F)(F)F ZINC000380328921 398336338 /nfs/dbraw/zinc/33/63/38/398336338.db2.gz NGVGSIQURNXSBI-WHFBIAKZSA-N 1 3 213.203 -0.413 20 0 BBADHO CN(C)S(=O)(=O)CCN1CC[C@H](CC[NH3+])C1 ZINC000380578009 712901551 /nfs/dbraw/zinc/90/15/51/712901551.db2.gz PJSVPLVGGHHPLR-JTQLQIEISA-N 1 3 249.380 -0.452 20 0 BBADHO CN(C)S(=O)(=O)CCN1CC[C@@H](CC[NH3+])C1 ZINC000380578020 712901650 /nfs/dbraw/zinc/90/16/50/712901650.db2.gz PJSVPLVGGHHPLR-SNVBAGLBSA-N 1 3 249.380 -0.452 20 0 BBADHO CSCC[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000381038771 343866630 /nfs/dbraw/zinc/86/66/30/343866630.db2.gz BUGMJTSQCZCQPI-DTWKUNHWSA-N 1 3 231.365 -0.080 20 0 BBADHO CSCC[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000381038773 367338972 /nfs/dbraw/zinc/33/89/72/367338972.db2.gz BUGMJTSQCZCQPI-IUCAKERBSA-N 1 3 231.365 -0.080 20 0 BBADHO C[C@H](C[NH3+])NC(=O)CNC[C@@H]1CCCO1 ZINC000381116959 367353474 /nfs/dbraw/zinc/35/34/74/367353474.db2.gz HNEQWSUQIXEXRL-BDAKNGLRSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@H](C[NH3+])NC(=O)CNC[C@H]1CCCO1 ZINC000381116961 367353090 /nfs/dbraw/zinc/35/30/90/367353090.db2.gz HNEQWSUQIXEXRL-RKDXNWHRSA-N 1 3 215.297 -0.782 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000381118254 398222140 /nfs/dbraw/zinc/22/21/40/398222140.db2.gz HVYBUFLDGLGDIB-MRVPVSSYSA-N 1 3 211.309 -0.018 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000381118256 398221925 /nfs/dbraw/zinc/22/19/25/398221925.db2.gz HVYBUFLDGLGDIB-QMMMGPOBSA-N 1 3 211.309 -0.018 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000381149959 398228204 /nfs/dbraw/zinc/22/82/04/398228204.db2.gz OTMLUJGJGDLXDR-SECBINFHSA-N 1 3 211.309 -0.066 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000381149961 398228004 /nfs/dbraw/zinc/22/80/04/398228004.db2.gz OTMLUJGJGDLXDR-VIFPVBQESA-N 1 3 211.309 -0.066 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1CCNCC1(C)C ZINC000381197603 710608157 /nfs/dbraw/zinc/60/81/57/710608157.db2.gz DVUPIWKCIKLFFX-QMMMGPOBSA-N 1 3 215.297 -0.830 20 0 BBADHO COC[C@]1(CNC(=O)[C@@H](C)N)CCC[NH2+]1 ZINC000381224911 367367328 /nfs/dbraw/zinc/36/73/28/367367328.db2.gz JPVPWRCMIOQVDI-PSASIEDQSA-N 1 3 215.297 -0.782 20 0 BBADHO COC[C@@]1(CNC(=O)[C@@H](C)N)CCC[NH2+]1 ZINC000381224912 367367690 /nfs/dbraw/zinc/36/76/90/367367690.db2.gz JPVPWRCMIOQVDI-SCZZXKLOSA-N 1 3 215.297 -0.782 20 0 BBADHO NC(C(=O)N1CC[C@@H](C[NH3+])C1)C(F)(F)F ZINC000381229076 398239101 /nfs/dbraw/zinc/23/91/01/398239101.db2.gz KLXDWCMOKCLBBG-NTSWFWBYSA-N 1 3 225.214 -0.317 20 0 BBADHO NC(C(=O)N1CC[C@H](C[NH3+])C1)C(F)(F)F ZINC000381229081 398238884 /nfs/dbraw/zinc/23/88/84/398238884.db2.gz KLXDWCMOKCLBBG-PHDIDXHHSA-N 1 3 225.214 -0.317 20 0 BBADHO NC(C(=O)N1CC[C@H](C[NH3+])C1)C(F)(F)F ZINC000381229083 398239118 /nfs/dbraw/zinc/23/91/18/398239118.db2.gz KLXDWCMOKCLBBG-RITPCOANSA-N 1 3 225.214 -0.317 20 0 BBADHO NC(C(=O)N1CC[C@@H](C[NH3+])C1)C(F)(F)F ZINC000381229085 398238848 /nfs/dbraw/zinc/23/88/48/398238848.db2.gz KLXDWCMOKCLBBG-WDSKDSINSA-N 1 3 225.214 -0.317 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)CCOC1CNC1 ZINC000381229862 367367412 /nfs/dbraw/zinc/36/74/12/367367412.db2.gz KRHWIXYJAGTZAO-MRVPVSSYSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)CCOC1CNC1 ZINC000381229864 367368042 /nfs/dbraw/zinc/36/80/42/367368042.db2.gz KRHWIXYJAGTZAO-QMMMGPOBSA-N 1 3 215.297 -0.830 20 0 BBADHO CO[C@H](CN)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000381279274 344937020 /nfs/dbraw/zinc/93/70/20/344937020.db2.gz XSKGXLSLKQESQO-MRVPVSSYSA-N 1 3 217.313 -0.597 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000381279278 344937197 /nfs/dbraw/zinc/93/71/97/344937197.db2.gz XSKGXLSLKQESQO-QMMMGPOBSA-N 1 3 217.313 -0.597 20 0 BBADHO C[C@](C[NH3+])(NC(=O)CNC1CC1)C1CC1 ZINC000381285545 367375123 /nfs/dbraw/zinc/37/51/23/367375123.db2.gz ZLJMIHLHKSIBBI-LLVKDONJSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)CNC1CC1)C1CC1 ZINC000381285550 367374617 /nfs/dbraw/zinc/37/46/17/367374617.db2.gz ZLJMIHLHKSIBBI-NSHDSACASA-N 1 3 211.309 -0.018 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@H](N)CCSC)C1 ZINC000381316478 345298366 /nfs/dbraw/zinc/29/83/66/345298366.db2.gz NHDQDQWALKPPEF-DTWKUNHWSA-N 1 3 231.365 -0.113 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](N)CCSC)C1 ZINC000381316479 345298583 /nfs/dbraw/zinc/29/85/83/345298583.db2.gz NHDQDQWALKPPEF-RKDXNWHRSA-N 1 3 231.365 -0.113 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000381335415 367382664 /nfs/dbraw/zinc/38/26/64/367382664.db2.gz VMWOYIYSBGYZCJ-BDAKNGLRSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000381335435 367382352 /nfs/dbraw/zinc/38/23/52/367382352.db2.gz VMWOYIYSBGYZCJ-DTWKUNHWSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000381335436 367382856 /nfs/dbraw/zinc/38/28/56/367382856.db2.gz VMWOYIYSBGYZCJ-IUCAKERBSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000381335437 356491611 /nfs/dbraw/zinc/49/16/11/356491611.db2.gz VMWOYIYSBGYZCJ-RKDXNWHRSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@H](CN)C(=O)NCCC[NH2+]C(C)C ZINC000381347789 367383999 /nfs/dbraw/zinc/38/39/99/367383999.db2.gz ZMRZDLIYAIKIIX-SECBINFHSA-N 1 3 217.313 -0.536 20 0 BBADHO CO[C@@H](CN)C(=O)NCCC[NH2+]C(C)C ZINC000381347790 367385326 /nfs/dbraw/zinc/38/53/26/367385326.db2.gz ZMRZDLIYAIKIIX-VIFPVBQESA-N 1 3 217.313 -0.536 20 0 BBADHO CNCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381359219 487505220 /nfs/dbraw/zinc/50/52/20/487505220.db2.gz FDFPAZWZMUWKSN-ONGXEEELSA-N 1 3 211.309 -0.207 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000381376571 367390403 /nfs/dbraw/zinc/39/04/03/367390403.db2.gz JFPWYWIXGRZNOR-DJLDLDEBSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000381376573 367390159 /nfs/dbraw/zinc/39/01/59/367390159.db2.gz JFPWYWIXGRZNOR-HRDYMLBCSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000381376579 367390150 /nfs/dbraw/zinc/39/01/50/367390150.db2.gz JFPWYWIXGRZNOR-IWSPIJDZSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000381376580 367390518 /nfs/dbraw/zinc/39/05/18/367390518.db2.gz JFPWYWIXGRZNOR-XHNCKOQMSA-N 1 3 215.297 -0.844 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CNC1CC1 ZINC000381377314 367390170 /nfs/dbraw/zinc/39/01/70/367390170.db2.gz KDSRXKXSDYLKNU-PSASIEDQSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNC1CC1 ZINC000381377318 367390102 /nfs/dbraw/zinc/39/01/02/367390102.db2.gz KDSRXKXSDYLKNU-SCZZXKLOSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CNC1CC1 ZINC000381377321 367390507 /nfs/dbraw/zinc/39/05/07/367390507.db2.gz KDSRXKXSDYLKNU-WCBMZHEXSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CNC1CC1 ZINC000381377326 367390268 /nfs/dbraw/zinc/39/02/68/367390268.db2.gz KDSRXKXSDYLKNU-WPRPVWTQSA-N 1 3 211.309 -0.147 20 0 BBADHO CC(C(=O)N1CCC[C@@H]([NH3+])[C@H]1C)S(C)(=O)=O ZINC000381399976 398256065 /nfs/dbraw/zinc/25/60/65/398256065.db2.gz VAVABFAXBMLMOG-HRDYMLBCSA-N 1 3 248.348 -0.242 20 0 BBADHO CC(C(=O)N1CCC[C@@H]([NH3+])[C@H]1C)S(C)(=O)=O ZINC000381399983 398255706 /nfs/dbraw/zinc/25/57/06/398255706.db2.gz VAVABFAXBMLMOG-IWSPIJDZSA-N 1 3 248.348 -0.242 20 0 BBADHO N[C@@H](CC(F)F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000381404480 345805190 /nfs/dbraw/zinc/80/51/90/345805190.db2.gz QXKRDVLHEWXESM-BQBZGAKWSA-N 1 3 221.251 -0.163 20 0 BBADHO N[C@H](CC(F)F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000381404481 345805617 /nfs/dbraw/zinc/80/56/17/345805617.db2.gz QXKRDVLHEWXESM-NKWVEPMBSA-N 1 3 221.251 -0.163 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000381422372 367400152 /nfs/dbraw/zinc/40/01/52/367400152.db2.gz WEAVBSJIZKXXLZ-DJLDLDEBSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000381422376 345847058 /nfs/dbraw/zinc/84/70/58/345847058.db2.gz WEAVBSJIZKXXLZ-HRDYMLBCSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381422378 345847357 /nfs/dbraw/zinc/84/73/57/345847357.db2.gz WEAVBSJIZKXXLZ-IWSPIJDZSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000381422383 367400763 /nfs/dbraw/zinc/40/07/63/367400763.db2.gz WEAVBSJIZKXXLZ-XHNCKOQMSA-N 1 3 215.297 -0.844 20 0 BBADHO CC[NH2+]CCNC(=O)COC1(C)CNC1 ZINC000381422991 398257214 /nfs/dbraw/zinc/25/72/14/398257214.db2.gz XUZLMKVITVODOO-UHFFFAOYSA-N 1 3 215.297 -0.909 20 0 BBADHO C[C@H]1NCCN(C(=O)C[NH2+]C2CC2)[C@H]1C ZINC000381431166 345868726 /nfs/dbraw/zinc/86/87/26/345868726.db2.gz BOGCNUQREPUGOV-BDAKNGLRSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[NH2+]C1CC1 ZINC000381431167 345869253 /nfs/dbraw/zinc/86/92/53/345869253.db2.gz BOGCNUQREPUGOV-DTWKUNHWSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H]1NCCN(C(=O)C[NH2+]C2CC2)[C@H]1C ZINC000381431168 345868680 /nfs/dbraw/zinc/86/86/80/345868680.db2.gz BOGCNUQREPUGOV-IUCAKERBSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H]1NCCN(C(=O)C[NH2+]C2CC2)[C@@H]1C ZINC000381431169 345869123 /nfs/dbraw/zinc/86/91/23/345869123.db2.gz BOGCNUQREPUGOV-RKDXNWHRSA-N 1 3 211.309 -0.053 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1C[C@H](C)NC[C@H]1C ZINC000381432184 398257434 /nfs/dbraw/zinc/25/74/34/398257434.db2.gz WZCGIOKSGOVXQO-DJLDLDEBSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000381432186 398257247 /nfs/dbraw/zinc/25/72/47/398257247.db2.gz WZCGIOKSGOVXQO-HRDYMLBCSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000381432187 398257357 /nfs/dbraw/zinc/25/73/57/398257357.db2.gz WZCGIOKSGOVXQO-IWSPIJDZSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000381432188 398257305 /nfs/dbraw/zinc/25/73/05/398257305.db2.gz WZCGIOKSGOVXQO-XHNCKOQMSA-N 1 3 215.297 -0.831 20 0 BBADHO CSCC[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000381432472 367403425 /nfs/dbraw/zinc/40/34/25/367403425.db2.gz BUGMJTSQCZCQPI-BDAKNGLRSA-N 1 3 231.365 -0.080 20 0 BBADHO CSCC[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000381432473 367403329 /nfs/dbraw/zinc/40/33/29/367403329.db2.gz BUGMJTSQCZCQPI-RKDXNWHRSA-N 1 3 231.365 -0.080 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)[C@@H](CN)OC ZINC000381433363 344505537 /nfs/dbraw/zinc/50/55/37/344505537.db2.gz XHHKCZIIWNYUCP-MRVPVSSYSA-N 1 3 217.313 -0.406 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)[C@H](CN)OC ZINC000381433366 344505407 /nfs/dbraw/zinc/50/54/07/344505407.db2.gz XHHKCZIIWNYUCP-QMMMGPOBSA-N 1 3 217.313 -0.406 20 0 BBADHO N[C@@H](CC(F)F)C(=O)NCC1([NH3+])CCC1 ZINC000381442407 398257805 /nfs/dbraw/zinc/25/78/05/398257805.db2.gz ZTRSMKNOTLYCBF-LURJTMIESA-N 1 3 221.251 -0.034 20 0 BBADHO N[C@H](CC(F)F)C(=O)NCC1([NH3+])CCC1 ZINC000381442408 398257679 /nfs/dbraw/zinc/25/76/79/398257679.db2.gz ZTRSMKNOTLYCBF-ZCFIWIBFSA-N 1 3 221.251 -0.034 20 0 BBADHO CN(C(=O)C(N)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000381443202 345913169 /nfs/dbraw/zinc/91/31/69/345913169.db2.gz FCWWSKWHRMHYNK-NTSWFWBYSA-N 1 3 225.214 -0.304 20 0 BBADHO CN(C(=O)C(N)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000381443206 345912799 /nfs/dbraw/zinc/91/27/99/345912799.db2.gz FCWWSKWHRMHYNK-PHDIDXHHSA-N 1 3 225.214 -0.304 20 0 BBADHO CN(C(=O)C(N)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000381443209 345913069 /nfs/dbraw/zinc/91/30/69/345913069.db2.gz FCWWSKWHRMHYNK-RITPCOANSA-N 1 3 225.214 -0.304 20 0 BBADHO CN(C(=O)C(N)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000381443212 345913091 /nfs/dbraw/zinc/91/30/91/345913091.db2.gz FCWWSKWHRMHYNK-WDSKDSINSA-N 1 3 225.214 -0.304 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)COC1(C)CNC1 ZINC000381448747 398258145 /nfs/dbraw/zinc/25/81/45/398258145.db2.gz GRPMIRPOBKADSG-MRVPVSSYSA-N 1 3 215.297 -0.924 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)COC1(C)CNC1 ZINC000381448748 398258139 /nfs/dbraw/zinc/25/81/39/398258139.db2.gz GRPMIRPOBKADSG-QMMMGPOBSA-N 1 3 215.297 -0.924 20 0 BBADHO C[C@]1(C[NH3+])CCN(C(=O)CNC2CC2)C1 ZINC000381450127 367408045 /nfs/dbraw/zinc/40/80/45/367408045.db2.gz HDKNGGZRINLRSS-LLVKDONJSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C(=O)CNC2CC2)C1 ZINC000381450129 367407997 /nfs/dbraw/zinc/40/79/97/367407997.db2.gz HDKNGGZRINLRSS-NSHDSACASA-N 1 3 211.309 -0.064 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381468987 367414117 /nfs/dbraw/zinc/41/41/17/367414117.db2.gz NOXVESSKIUYYQR-IVZWLZJFSA-N 1 3 211.309 -0.208 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381468988 367413497 /nfs/dbraw/zinc/41/34/97/367413497.db2.gz NOXVESSKIUYYQR-KXUCPTDWSA-N 1 3 211.309 -0.208 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000381468989 367413585 /nfs/dbraw/zinc/41/35/85/367413585.db2.gz NOXVESSKIUYYQR-LPEHRKFASA-N 1 3 211.309 -0.208 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000381468990 367413948 /nfs/dbraw/zinc/41/39/48/367413948.db2.gz NOXVESSKIUYYQR-OPRDCNLKSA-N 1 3 211.309 -0.208 20 0 BBADHO CSCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000381480914 346032999 /nfs/dbraw/zinc/03/29/99/346032999.db2.gz SPXMOYNIPHHVTR-RKDXNWHRSA-N 1 3 231.365 -0.065 20 0 BBADHO O=C(CNC1CC1)N[C@H]1CCC[NH2+]CC1 ZINC000381481742 398253729 /nfs/dbraw/zinc/25/37/29/398253729.db2.gz FCLGCGOKOKIPJQ-JTQLQIEISA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(CNC1CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000381481748 398253679 /nfs/dbraw/zinc/25/36/79/398253679.db2.gz FCLGCGOKOKIPJQ-SNVBAGLBSA-N 1 3 211.309 -0.003 20 0 BBADHO CC[C@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000381483498 487917826 /nfs/dbraw/zinc/91/78/26/487917826.db2.gz UHFCBBYOQRRGBN-CIUDSAMLSA-N 1 3 215.297 -0.702 20 0 BBADHO CC[C@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000381483500 398259004 /nfs/dbraw/zinc/25/90/04/398259004.db2.gz UHFCBBYOQRRGBN-HRDYMLBCSA-N 1 3 215.297 -0.702 20 0 BBADHO CC[C@H](N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000381483502 398259244 /nfs/dbraw/zinc/25/92/44/398259244.db2.gz UHFCBBYOQRRGBN-VGMNWLOBSA-N 1 3 215.297 -0.702 20 0 BBADHO CC[C@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000381483504 398259180 /nfs/dbraw/zinc/25/91/80/398259180.db2.gz UHFCBBYOQRRGBN-XHNCKOQMSA-N 1 3 215.297 -0.702 20 0 BBADHO O=C(CNC1CC1)NCC[C@H]1CCC[NH2+]1 ZINC000381498869 367420397 /nfs/dbraw/zinc/42/03/97/367420397.db2.gz NSYIBYAZPBZFOI-SECBINFHSA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(CNC1CC1)NCC1=CC[NH2+]CC1 ZINC000381506727 367421344 /nfs/dbraw/zinc/42/13/44/367421344.db2.gz SVLREHXPXLHCGU-UHFFFAOYSA-N 1 3 209.293 -0.226 20 0 BBADHO CNCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000381513654 398261220 /nfs/dbraw/zinc/26/12/20/398261220.db2.gz YSOBXJNIIIZNJC-JTQLQIEISA-N 1 3 211.309 -0.194 20 0 BBADHO CNCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000381513654 398261216 /nfs/dbraw/zinc/26/12/16/398261216.db2.gz YSOBXJNIIIZNJC-JTQLQIEISA-N 1 3 211.309 -0.194 20 0 BBADHO CNCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000381513655 398261012 /nfs/dbraw/zinc/26/10/12/398261012.db2.gz YSOBXJNIIIZNJC-SNVBAGLBSA-N 1 3 211.309 -0.194 20 0 BBADHO CNCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000381513655 398261011 /nfs/dbraw/zinc/26/10/11/398261011.db2.gz YSOBXJNIIIZNJC-SNVBAGLBSA-N 1 3 211.309 -0.194 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000381535201 398262670 /nfs/dbraw/zinc/26/26/70/398262670.db2.gz FBEMWTMGCWTDBQ-KXUCPTDWSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000381535202 398262793 /nfs/dbraw/zinc/26/27/93/398262793.db2.gz FBEMWTMGCWTDBQ-OPRDCNLKSA-N 1 3 211.309 -0.053 20 0 BBADHO CNCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000381535974 398262618 /nfs/dbraw/zinc/26/26/18/398262618.db2.gz FMCYYIBZDPPAJM-UHFFFAOYSA-N 1 3 211.309 -0.051 20 0 BBADHO CC(C)(C[NH3+])NC(=O)C[C@@H]1CSCCN1 ZINC000381539903 346300033 /nfs/dbraw/zinc/30/00/33/346300033.db2.gz IFYFVVJZISETGN-MRVPVSSYSA-N 1 3 231.365 -0.065 20 0 BBADHO CC(C)(C[NH3+])NC(=O)C[C@H]1CSCCN1 ZINC000381539906 346300337 /nfs/dbraw/zinc/30/03/37/346300337.db2.gz IFYFVVJZISETGN-QMMMGPOBSA-N 1 3 231.365 -0.065 20 0 BBADHO NC(C(=O)NCC[NH2+]C1CC1)C(F)(F)F ZINC000381543127 487511440 /nfs/dbraw/zinc/51/14/40/487511440.db2.gz JMRNBAGWQNHIPJ-LURJTMIESA-N 1 3 225.214 -0.256 20 0 BBADHO NC(C(=O)NCC[NH2+]C1CC1)C(F)(F)F ZINC000381543130 487511821 /nfs/dbraw/zinc/51/18/21/487511821.db2.gz JMRNBAGWQNHIPJ-ZCFIWIBFSA-N 1 3 225.214 -0.256 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381560940 367431274 /nfs/dbraw/zinc/43/12/74/367431274.db2.gz QIWBSUNPNQLUEL-BDAKNGLRSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381560941 346352255 /nfs/dbraw/zinc/35/22/55/346352255.db2.gz QIWBSUNPNQLUEL-DTWKUNHWSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381560942 346352069 /nfs/dbraw/zinc/35/20/69/346352069.db2.gz QIWBSUNPNQLUEL-IUCAKERBSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381560944 346351943 /nfs/dbraw/zinc/35/19/43/346351943.db2.gz QIWBSUNPNQLUEL-RKDXNWHRSA-N 1 3 211.309 -0.066 20 0 BBADHO NC(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(F)(F)F ZINC000381574888 346377727 /nfs/dbraw/zinc/37/77/27/346377727.db2.gz XYXNXXVHUHZRDU-DPYQTVNSSA-N 1 3 223.198 -0.790 20 0 BBADHO NC(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(F)(F)F ZINC000381574891 346377537 /nfs/dbraw/zinc/37/75/37/346377537.db2.gz XYXNXXVHUHZRDU-KCDKBNATSA-N 1 3 223.198 -0.790 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000381579987 398264824 /nfs/dbraw/zinc/26/48/24/398264824.db2.gz FBEMWTMGCWTDBQ-IVZWLZJFSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000381579988 398264942 /nfs/dbraw/zinc/26/49/42/398264942.db2.gz FBEMWTMGCWTDBQ-LPEHRKFASA-N 1 3 211.309 -0.053 20 0 BBADHO CC(C)(C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000381579999 346383660 /nfs/dbraw/zinc/38/36/60/346383660.db2.gz ZXMDEYVQECEQSS-MRVPVSSYSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)(C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000381580001 346383402 /nfs/dbraw/zinc/38/34/02/346383402.db2.gz ZXMDEYVQECEQSS-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO CNCC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000381582299 367432259 /nfs/dbraw/zinc/43/22/59/367432259.db2.gz FWVOSQMCWNTCKZ-JTQLQIEISA-N 1 3 215.297 -0.909 20 0 BBADHO CNCC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000381582302 367432464 /nfs/dbraw/zinc/43/24/64/367432464.db2.gz FWVOSQMCWNTCKZ-SNVBAGLBSA-N 1 3 215.297 -0.909 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000381587826 398254332 /nfs/dbraw/zinc/25/43/32/398254332.db2.gz IHJODISTUJRQEU-BDAKNGLRSA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000381587827 398265311 /nfs/dbraw/zinc/26/53/11/398265311.db2.gz IHJODISTUJRQEU-DTWKUNHWSA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000381587828 398265123 /nfs/dbraw/zinc/26/51/23/398265123.db2.gz IHJODISTUJRQEU-IUCAKERBSA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000381587829 398265416 /nfs/dbraw/zinc/26/54/16/398265416.db2.gz IHJODISTUJRQEU-RKDXNWHRSA-N 1 3 211.309 -0.147 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000381588457 346391748 /nfs/dbraw/zinc/39/17/48/346391748.db2.gz FJDVRWAZYDWSRK-DJLDLDEBSA-N 1 3 215.297 -0.926 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000381588458 346392028 /nfs/dbraw/zinc/39/20/28/346392028.db2.gz FJDVRWAZYDWSRK-HRDYMLBCSA-N 1 3 215.297 -0.926 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000381588460 346392252 /nfs/dbraw/zinc/39/22/52/346392252.db2.gz FJDVRWAZYDWSRK-IWSPIJDZSA-N 1 3 215.297 -0.926 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000381588462 346391760 /nfs/dbraw/zinc/39/17/60/346391760.db2.gz FJDVRWAZYDWSRK-XHNCKOQMSA-N 1 3 215.297 -0.926 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000381589264 398265366 /nfs/dbraw/zinc/26/53/66/398265366.db2.gz ITBCTWXDTYEOOC-SECBINFHSA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000381589266 398265251 /nfs/dbraw/zinc/26/52/51/398265251.db2.gz ITBCTWXDTYEOOC-VIFPVBQESA-N 1 3 211.309 -0.147 20 0 BBADHO CN(CCC[NH3+])C(=O)C[C@@H]1CSCCN1 ZINC000381591591 398254386 /nfs/dbraw/zinc/25/43/86/398254386.db2.gz GXCRXDUGTWEDAO-SECBINFHSA-N 1 3 231.365 -0.111 20 0 BBADHO CN(CCC[NH3+])C(=O)C[C@H]1CSCCN1 ZINC000381591595 398254371 /nfs/dbraw/zinc/25/43/71/398254371.db2.gz GXCRXDUGTWEDAO-VIFPVBQESA-N 1 3 231.365 -0.111 20 0 BBADHO C[N@H+]1CC[C@@H]2CN(CCOCCO)C[C@@H]2C1 ZINC000381605625 710661715 /nfs/dbraw/zinc/66/17/15/710661715.db2.gz IHWKUIFKUMSZMB-NEPJUHHUSA-N 1 3 228.336 -0.121 20 0 BBADHO C[N@@H+]1CC[C@@H]2CN(CCOCCO)C[C@@H]2C1 ZINC000381605625 710661709 /nfs/dbraw/zinc/66/17/09/710661709.db2.gz IHWKUIFKUMSZMB-NEPJUHHUSA-N 1 3 228.336 -0.121 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000381611910 398266883 /nfs/dbraw/zinc/26/68/83/398266883.db2.gz SNRDTOKBDJWJMN-KDXUFGMBSA-N 1 3 209.293 -0.682 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000381611912 397765554 /nfs/dbraw/zinc/76/55/54/397765554.db2.gz SNRDTOKBDJWJMN-RYPBNFRJSA-N 1 3 209.293 -0.682 20 0 BBADHO NCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000381634275 346496275 /nfs/dbraw/zinc/49/62/75/346496275.db2.gz NQIOPQOJCXNWIL-JTQLQIEISA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000381634278 346496315 /nfs/dbraw/zinc/49/63/15/346496315.db2.gz NQIOPQOJCXNWIL-SNVBAGLBSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+][C@H](CNC(=O)[C@@H]1CCCCN1)C1CC1 ZINC000381690101 367447680 /nfs/dbraw/zinc/44/76/80/367447680.db2.gz ZNYKJURKVMDTBP-ZJUUUORDSA-N 1 3 211.309 -0.018 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000381701398 367449125 /nfs/dbraw/zinc/44/91/25/367449125.db2.gz INKMAZQFJOWOAP-IWSPIJDZSA-N 1 3 215.297 -0.783 20 0 BBADHO C[N@@H+](C[C@H](O)CN[C@@H](CO)C1CC1)C1CC1 ZINC000381717094 710684332 /nfs/dbraw/zinc/68/43/32/710684332.db2.gz LHZJXZXDFWEEIS-NEPJUHHUSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@H+](C[C@H](O)CN[C@@H](CO)C1CC1)C1CC1 ZINC000381717094 710684329 /nfs/dbraw/zinc/68/43/29/710684329.db2.gz LHZJXZXDFWEEIS-NEPJUHHUSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@@H+](C[C@@H](O)CN[C@H](CO)C1CC1)C1CC1 ZINC000381717103 710684529 /nfs/dbraw/zinc/68/45/29/710684529.db2.gz LHZJXZXDFWEEIS-NWDGAFQWSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@H+](C[C@@H](O)CN[C@H](CO)C1CC1)C1CC1 ZINC000381717103 710684528 /nfs/dbraw/zinc/68/45/28/710684528.db2.gz LHZJXZXDFWEEIS-NWDGAFQWSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@@H+](C[C@@H](O)CN[C@@H](CO)C1CC1)C1CC1 ZINC000381717106 710683442 /nfs/dbraw/zinc/68/34/42/710683442.db2.gz LHZJXZXDFWEEIS-RYUDHWBXSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@H+](C[C@@H](O)CN[C@@H](CO)C1CC1)C1CC1 ZINC000381717106 710683439 /nfs/dbraw/zinc/68/34/39/710683439.db2.gz LHZJXZXDFWEEIS-RYUDHWBXSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@@H+](C[C@H](O)CN[C@H](CO)C1CC1)C1CC1 ZINC000381717107 710684396 /nfs/dbraw/zinc/68/43/96/710684396.db2.gz LHZJXZXDFWEEIS-VXGBXAGGSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@H+](C[C@H](O)CN[C@H](CO)C1CC1)C1CC1 ZINC000381717107 710684393 /nfs/dbraw/zinc/68/43/93/710684393.db2.gz LHZJXZXDFWEEIS-VXGBXAGGSA-N 1 3 228.336 -0.198 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@H](N)C(C)C ZINC000381752894 345351773 /nfs/dbraw/zinc/35/17/73/345351773.db2.gz RNBUPGIFXZADEI-SECBINFHSA-N 1 3 217.313 -0.678 20 0 BBADHO CN(C)C(=O)C(C)(C)NCCOCC[NH3+] ZINC000381757016 346827655 /nfs/dbraw/zinc/82/76/55/346827655.db2.gz SJWQJAZJOWPGOT-UHFFFAOYSA-N 1 3 217.313 -0.582 20 0 BBADHO O=C(CNC1CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000382042705 398300279 /nfs/dbraw/zinc/30/02/79/398300279.db2.gz YCLQLKYFUNPWNY-CBAPKCEASA-N 1 3 215.272 -0.445 20 0 BBADHO C[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000382042780 367481834 /nfs/dbraw/zinc/48/18/34/367481834.db2.gz YDXPXBROLSCQSI-UJNFCWOMSA-N 1 3 211.309 -0.162 20 0 BBADHO CNCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000382188173 367496549 /nfs/dbraw/zinc/49/65/49/367496549.db2.gz BGZZVHZLBVUZDF-UHFFFAOYSA-N 1 3 211.309 -0.192 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000382343227 367509562 /nfs/dbraw/zinc/50/95/62/367509562.db2.gz CXMVSMJEUJLERH-BBBLOLIVSA-N 1 3 211.309 -0.208 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000382343230 347286779 /nfs/dbraw/zinc/28/67/79/347286779.db2.gz CXMVSMJEUJLERH-LPEHRKFASA-N 1 3 211.309 -0.208 20 0 BBADHO C[NH2+]CCCNC(=O)C(N)C(F)(F)F ZINC000382387376 350456026 /nfs/dbraw/zinc/45/60/26/350456026.db2.gz OUPFUWGWJNOOFH-RXMQYKEDSA-N 1 3 213.203 -0.398 20 0 BBADHO C[NH2+]CCCNC(=O)C(N)C(F)(F)F ZINC000382387378 350456146 /nfs/dbraw/zinc/45/61/46/350456146.db2.gz OUPFUWGWJNOOFH-YFKPBYRVSA-N 1 3 213.203 -0.398 20 0 BBADHO CC(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000382423549 397948875 /nfs/dbraw/zinc/94/88/75/397948875.db2.gz CRONTXQKCFUJDQ-HLTSFMKQSA-N 1 3 248.348 -0.194 20 0 BBADHO CC(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)S(C)(=O)=O ZINC000382423551 397948671 /nfs/dbraw/zinc/94/86/71/397948671.db2.gz CRONTXQKCFUJDQ-HRDYMLBCSA-N 1 3 248.348 -0.194 20 0 BBADHO CC(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000382423552 397948762 /nfs/dbraw/zinc/94/87/62/397948762.db2.gz CRONTXQKCFUJDQ-IWSPIJDZSA-N 1 3 248.348 -0.194 20 0 BBADHO CC(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)S(C)(=O)=O ZINC000382423555 397948825 /nfs/dbraw/zinc/94/88/25/397948825.db2.gz CRONTXQKCFUJDQ-VGMNWLOBSA-N 1 3 248.348 -0.194 20 0 BBADHO COC[C@@]1(C(=O)NC[C@H](C)N(C)C)CC[NH2+]C1 ZINC000383282995 398013251 /nfs/dbraw/zinc/01/32/51/398013251.db2.gz LKPLFCLSLRQDKS-CMPLNLGQSA-N 1 3 243.351 -0.321 20 0 BBADHO COC[C@]1(C(=O)NC[C@H](C)N(C)C)CC[NH2+]C1 ZINC000383283009 398013589 /nfs/dbraw/zinc/01/35/89/398013589.db2.gz LKPLFCLSLRQDKS-JQWIXIFHSA-N 1 3 243.351 -0.321 20 0 BBADHO COC[C@]1(C(=O)NC[C@@H](C)N(C)C)CC[NH2+]C1 ZINC000383283023 398013018 /nfs/dbraw/zinc/01/30/18/398013018.db2.gz LKPLFCLSLRQDKS-PWSUYJOCSA-N 1 3 243.351 -0.321 20 0 BBADHO COC[C@@]1(C(=O)NC[C@@H](C)N(C)C)CC[NH2+]C1 ZINC000383283025 398013637 /nfs/dbraw/zinc/01/36/37/398013637.db2.gz LKPLFCLSLRQDKS-ZYHUDNBSSA-N 1 3 243.351 -0.321 20 0 BBADHO C[C@H](NC1CC1)C(=O)NCCOCC[NH+](C)C ZINC000383335646 367613664 /nfs/dbraw/zinc/61/36/64/367613664.db2.gz KMINOLISWGOEFZ-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NCCOCC[NH+](C)C ZINC000383335647 367614004 /nfs/dbraw/zinc/61/40/04/367614004.db2.gz KMINOLISWGOEFZ-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000383397456 710979877 /nfs/dbraw/zinc/97/98/77/710979877.db2.gz ATOWJWOYUNQBGR-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO CN(CCn1cncn1)CCN1CC[NH2+]CC1 ZINC000383439734 398020203 /nfs/dbraw/zinc/02/02/03/398020203.db2.gz DKURTIFTVQYXFW-UHFFFAOYSA-N 1 3 238.339 -0.885 20 0 BBADHO NC(=O)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000383538674 711592849 /nfs/dbraw/zinc/59/28/49/711592849.db2.gz SYDAFQYFKKGQKI-UHFFFAOYSA-N 1 3 240.307 -0.743 20 0 BBADHO C[N@@H+](C[C@H](O)CNCCn1ccnc1)C1CC1 ZINC000383570807 367641069 /nfs/dbraw/zinc/64/10/69/367641069.db2.gz JYUADYAOEZGCQH-GFCCVEGCSA-N 1 3 238.335 -0.072 20 0 BBADHO C[N@H+](C[C@H](O)CNCCn1ccnc1)C1CC1 ZINC000383570807 367641067 /nfs/dbraw/zinc/64/10/67/367641067.db2.gz JYUADYAOEZGCQH-GFCCVEGCSA-N 1 3 238.335 -0.072 20 0 BBADHO C[N@@H+](C[C@@H](O)CNCCn1ccnc1)C1CC1 ZINC000383570808 367640873 /nfs/dbraw/zinc/64/08/73/367640873.db2.gz JYUADYAOEZGCQH-LBPRGKRZSA-N 1 3 238.335 -0.072 20 0 BBADHO C[N@H+](C[C@@H](O)CNCCn1ccnc1)C1CC1 ZINC000383570808 367640870 /nfs/dbraw/zinc/64/08/70/367640870.db2.gz JYUADYAOEZGCQH-LBPRGKRZSA-N 1 3 238.335 -0.072 20 0 BBADHO C[NH+](C)CCOCCNC(=O)[C@H](N)CC1CC1 ZINC000383698885 710853871 /nfs/dbraw/zinc/85/38/71/710853871.db2.gz RYERJRAQFUSQDA-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([C@@H](C)N)nn1 ZINC000383797070 710944363 /nfs/dbraw/zinc/94/43/63/710944363.db2.gz SDMXHIQOIIMEBH-NXEZZACHSA-N 1 3 241.339 -0.001 20 0 BBADHO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([C@@H](C)N)nn1 ZINC000383797070 710944361 /nfs/dbraw/zinc/94/43/61/710944361.db2.gz SDMXHIQOIIMEBH-NXEZZACHSA-N 1 3 241.339 -0.001 20 0 BBADHO CC(C)[N@@H+](C)C[C@H](O)Cn1cc([C@@H](C)N)nn1 ZINC000383797071 710944387 /nfs/dbraw/zinc/94/43/87/710944387.db2.gz SDMXHIQOIIMEBH-ZJUUUORDSA-N 1 3 241.339 -0.001 20 0 BBADHO CC(C)[N@H+](C)C[C@H](O)Cn1cc([C@@H](C)N)nn1 ZINC000383797071 710944384 /nfs/dbraw/zinc/94/43/84/710944384.db2.gz SDMXHIQOIIMEBH-ZJUUUORDSA-N 1 3 241.339 -0.001 20 0 BBADHO C[C@@H]1C[NH+]=C(NC[C@@H]2CN3CCC[C@@H]3CO2)N1 ZINC000383845169 710952105 /nfs/dbraw/zinc/95/21/05/710952105.db2.gz KYERQBAHQXAOAB-GMTAPVOTSA-N 1 3 238.335 -0.213 20 0 BBADHO C[C@@H]1C[NH+]=C(NC[C@H]2CN3CCC[C@@H]3CO2)N1 ZINC000383845282 710952394 /nfs/dbraw/zinc/95/23/94/710952394.db2.gz KYERQBAHQXAOAB-MXWKQRLJSA-N 1 3 238.335 -0.213 20 0 BBADHO C[C@@H]1C[NH+]=C(NC[C@@H]2CN3CCC[C@H]3CO2)N1 ZINC000383845283 710952141 /nfs/dbraw/zinc/95/21/41/710952141.db2.gz KYERQBAHQXAOAB-OUAUKWLOSA-N 1 3 238.335 -0.213 20 0 BBADHO C[C@@H]1C[NH+]=C(NC[C@H]2CN3CCC[C@H]3CO2)N1 ZINC000383845290 710951482 /nfs/dbraw/zinc/95/14/82/710951482.db2.gz KYERQBAHQXAOAB-VWYCJHECSA-N 1 3 238.335 -0.213 20 0 BBADHO COC(=O)[C@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000384691216 710995375 /nfs/dbraw/zinc/99/53/75/710995375.db2.gz CNXPLJRYAHUKRP-FYLLDIAZSA-N 1 3 242.319 -0.598 20 0 BBADHO COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000384691216 710995372 /nfs/dbraw/zinc/99/53/72/710995372.db2.gz CNXPLJRYAHUKRP-FYLLDIAZSA-N 1 3 242.319 -0.598 20 0 BBADHO COC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000384691220 710995520 /nfs/dbraw/zinc/99/55/20/710995520.db2.gz CNXPLJRYAHUKRP-XNDJQWLSSA-N 1 3 242.319 -0.598 20 0 BBADHO COC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000384691220 710995518 /nfs/dbraw/zinc/99/55/18/710995518.db2.gz CNXPLJRYAHUKRP-XNDJQWLSSA-N 1 3 242.319 -0.598 20 0 BBADHO CC(C(=O)N(C)C1CC([NH3+])C1)S(C)(=O)=O ZINC000384732776 367723092 /nfs/dbraw/zinc/72/30/92/367723092.db2.gz KBOKMRDESZXSCU-JECWYVHBSA-N 1 3 234.321 -0.632 20 0 BBADHO CC(C(=O)N(C)C1CC([NH3+])C1)S(C)(=O)=O ZINC000384732779 367723625 /nfs/dbraw/zinc/72/36/25/367723625.db2.gz KBOKMRDESZXSCU-KKMMWDRVSA-N 1 3 234.321 -0.632 20 0 BBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[NH2+]1 ZINC000384744862 710995443 /nfs/dbraw/zinc/99/54/43/710995443.db2.gz IEKWCTZKIVAVCX-GMTAPVOTSA-N 1 3 239.319 -0.672 20 0 BBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[NH2+]1 ZINC000384744863 710995562 /nfs/dbraw/zinc/99/55/62/710995562.db2.gz IEKWCTZKIVAVCX-HBNTYKKESA-N 1 3 239.319 -0.672 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000384793107 367733106 /nfs/dbraw/zinc/73/31/06/367733106.db2.gz VMUCFIFDVXEFCN-SECBINFHSA-N 1 3 215.297 -0.957 20 0 BBADHO CN(C)CCOCCNC(=O)[C@H]1CC[NH2+]1 ZINC000384794979 367733013 /nfs/dbraw/zinc/73/30/13/367733013.db2.gz XHSSABGJMTTZDI-SECBINFHSA-N 1 3 215.297 -0.957 20 0 BBADHO CCN1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384798838 367733784 /nfs/dbraw/zinc/73/37/84/367733784.db2.gz BTZPZTVZBJXANQ-SNVBAGLBSA-N 1 3 211.309 -0.051 20 0 BBADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N(C)C1CC1 ZINC000384811543 367735531 /nfs/dbraw/zinc/73/55/31/367735531.db2.gz FWIRJAWBDRVNNP-PSASIEDQSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N(C)C1CC1 ZINC000384811547 367735101 /nfs/dbraw/zinc/73/51/01/367735101.db2.gz FWIRJAWBDRVNNP-WCBMZHEXSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCCC1 ZINC000384812034 367736794 /nfs/dbraw/zinc/73/67/94/367736794.db2.gz HAUJXYWOFGZYLU-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCCC1 ZINC000384812036 367736806 /nfs/dbraw/zinc/73/68/06/367736806.db2.gz HAUJXYWOFGZYLU-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)CCN1C ZINC000384819842 367736821 /nfs/dbraw/zinc/73/68/21/367736821.db2.gz OKTSOECUSCFFNO-KXUCPTDWSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)CCN1C ZINC000384819843 350580976 /nfs/dbraw/zinc/58/09/76/350580976.db2.gz OKTSOECUSCFFNO-OPRDCNLKSA-N 1 3 211.309 -0.053 20 0 BBADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000384834915 367739724 /nfs/dbraw/zinc/73/97/24/367739724.db2.gz NSDMKTOXDULYGK-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000384834918 367740410 /nfs/dbraw/zinc/74/04/10/367740410.db2.gz NSDMKTOXDULYGK-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO CCN(CCNC(=O)[C@H]1CC[NH2+]1)C1CC1 ZINC000384837387 367740506 /nfs/dbraw/zinc/74/05/06/367740506.db2.gz QDRYHXCBOIGSBV-SNVBAGLBSA-N 1 3 211.309 -0.051 20 0 BBADHO COCC(COC)N(C)CCN1CC[NH2+]CC1 ZINC000384959392 712707501 /nfs/dbraw/zinc/70/75/01/712707501.db2.gz NDWYNJSYQBCIOC-UHFFFAOYSA-N 1 3 245.367 -0.515 20 0 BBADHO COCC(COC)N1CC[C@H](C[NH3+])C1 ZINC000385002556 711002408 /nfs/dbraw/zinc/00/24/08/711002408.db2.gz VXHFITQEZRFBDU-SECBINFHSA-N 1 3 202.298 -0.072 20 0 BBADHO COCC(COC)N1CC[C@@H](C[NH3+])C1 ZINC000385002558 711003213 /nfs/dbraw/zinc/00/32/13/711003213.db2.gz VXHFITQEZRFBDU-VIFPVBQESA-N 1 3 202.298 -0.072 20 0 BBADHO COCC(COC)N(C)CCOCC[NH3+] ZINC000385035833 712708037 /nfs/dbraw/zinc/70/80/37/712708037.db2.gz MCOVMJOCXIPTHY-UHFFFAOYSA-N 1 3 220.313 -0.445 20 0 BBADHO OCCC[N@@H+](CCO)C[C@H](O)CN1CCCC1 ZINC000385332056 711012094 /nfs/dbraw/zinc/01/20/94/711012094.db2.gz SBGMKJBXIRUSMR-GFCCVEGCSA-N 1 3 246.351 -0.880 20 0 BBADHO OCCC[N@H+](CCO)C[C@H](O)CN1CCCC1 ZINC000385332056 711012091 /nfs/dbraw/zinc/01/20/91/711012091.db2.gz SBGMKJBXIRUSMR-GFCCVEGCSA-N 1 3 246.351 -0.880 20 0 BBADHO OCCC[N@@H+](CCO)C[C@@H](O)CN1CCCC1 ZINC000385332057 711011061 /nfs/dbraw/zinc/01/10/61/711011061.db2.gz SBGMKJBXIRUSMR-LBPRGKRZSA-N 1 3 246.351 -0.880 20 0 BBADHO OCCC[N@H+](CCO)C[C@@H](O)CN1CCCC1 ZINC000385332057 711011057 /nfs/dbraw/zinc/01/10/57/711011057.db2.gz SBGMKJBXIRUSMR-LBPRGKRZSA-N 1 3 246.351 -0.880 20 0 BBADHO C[C@H](O)[C@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000386945354 363073756 /nfs/dbraw/zinc/07/37/56/363073756.db2.gz VJRFKDXDUMOJRN-DCAQKATOSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@H](O)[C@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000386945355 363073902 /nfs/dbraw/zinc/07/39/02/363073902.db2.gz VJRFKDXDUMOJRN-GARJFASQSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H](C)O ZINC000386945356 363073811 /nfs/dbraw/zinc/07/38/11/363073811.db2.gz VJRFKDXDUMOJRN-OUAUKWLOSA-N 1 3 216.325 -0.198 20 0 BBADHO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)[C@H](C)O ZINC000386945357 363074223 /nfs/dbraw/zinc/07/42/23/363074223.db2.gz VJRFKDXDUMOJRN-VWYCJHECSA-N 1 3 216.325 -0.198 20 0 BBADHO C[NH2+]C1(CNC(=O)C(C)S(C)(=O)=O)CCC1 ZINC000386945798 398222988 /nfs/dbraw/zinc/22/29/88/398222988.db2.gz WOBMIPMYARAUDR-MRVPVSSYSA-N 1 3 248.348 -0.322 20 0 BBADHO C[NH2+]C1(CNC(=O)C(C)S(C)(=O)=O)CCC1 ZINC000386945819 398223321 /nfs/dbraw/zinc/22/33/21/398223321.db2.gz WOBMIPMYARAUDR-QMMMGPOBSA-N 1 3 248.348 -0.322 20 0 BBADHO CSCC[C@@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000389601039 357000299 /nfs/dbraw/zinc/00/02/99/357000299.db2.gz UMIOTSHCNMCURZ-HTQZYQBOSA-N 1 3 219.354 -0.222 20 0 BBADHO CSCC[C@@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000389601043 357000315 /nfs/dbraw/zinc/00/03/15/357000315.db2.gz UMIOTSHCNMCURZ-JGVFFNPUSA-N 1 3 219.354 -0.222 20 0 BBADHO CCCN1CC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000389665960 488105679 /nfs/dbraw/zinc/10/56/79/488105679.db2.gz TWLMKTILURZJRY-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO CCCN1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000389665962 487831078 /nfs/dbraw/zinc/83/10/78/487831078.db2.gz TWLMKTILURZJRY-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO CCCN1CC[C@H](NC(=O)COCC[NH3+])C1 ZINC000389699295 488106846 /nfs/dbraw/zinc/10/68/46/488106846.db2.gz GIEMXTRHNRJZMI-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO CCCN1CC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000389699296 488106686 /nfs/dbraw/zinc/10/66/86/488106686.db2.gz GIEMXTRHNRJZMI-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](CN)OC)C1 ZINC000389723835 711088269 /nfs/dbraw/zinc/08/82/69/711088269.db2.gz KOCCYRZYGIOMKK-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CN)OC)C1 ZINC000389723835 711088267 /nfs/dbraw/zinc/08/82/67/711088267.db2.gz KOCCYRZYGIOMKK-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CN)OC)C1 ZINC000389723837 711088296 /nfs/dbraw/zinc/08/82/96/711088296.db2.gz KOCCYRZYGIOMKK-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CN)OC)C1 ZINC000389723837 711088294 /nfs/dbraw/zinc/08/82/94/711088294.db2.gz KOCCYRZYGIOMKK-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO COCCNCC(=O)NC(C)(C)C[NH3+] ZINC000389746814 357022034 /nfs/dbraw/zinc/02/20/34/357022034.db2.gz XTYQCVYSBMWWAA-UHFFFAOYSA-N 1 3 203.286 -0.924 20 0 BBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)CCOC)C1 ZINC000389851961 711092430 /nfs/dbraw/zinc/09/24/30/711092430.db2.gz CBKPUDSPSIOXDA-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CCOC)C1 ZINC000389851961 711092425 /nfs/dbraw/zinc/09/24/25/711092425.db2.gz CBKPUDSPSIOXDA-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CCOC)C1 ZINC000389851962 711092775 /nfs/dbraw/zinc/09/27/75/711092775.db2.gz CBKPUDSPSIOXDA-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CCOC)C1 ZINC000389851962 711092771 /nfs/dbraw/zinc/09/27/71/711092771.db2.gz CBKPUDSPSIOXDA-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCOC)C1 ZINC000389851963 711092789 /nfs/dbraw/zinc/09/27/89/711092789.db2.gz CBKPUDSPSIOXDA-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCOC)C1 ZINC000389851963 711092788 /nfs/dbraw/zinc/09/27/88/711092788.db2.gz CBKPUDSPSIOXDA-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CCOC)C1 ZINC000389851964 711091940 /nfs/dbraw/zinc/09/19/40/711091940.db2.gz CBKPUDSPSIOXDA-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CCOC)C1 ZINC000389851964 711091937 /nfs/dbraw/zinc/09/19/37/711091937.db2.gz CBKPUDSPSIOXDA-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO [NH3+]CCOCCN(CCCO)C1CC1 ZINC000389857908 397997429 /nfs/dbraw/zinc/99/74/29/397997429.db2.gz BTBUOAQXWUPENB-UHFFFAOYSA-N 1 3 202.298 -0.192 20 0 BBADHO CCCN1CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000389862890 488120998 /nfs/dbraw/zinc/12/09/98/488120998.db2.gz GAJDRQYLWXUVME-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CCCN1CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000389862892 488120871 /nfs/dbraw/zinc/12/08/71/488120871.db2.gz GAJDRQYLWXUVME-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CCCN1CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000389862893 488121015 /nfs/dbraw/zinc/12/10/15/488121015.db2.gz GAJDRQYLWXUVME-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CCCN1CC[C@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000389862896 488120884 /nfs/dbraw/zinc/12/08/84/488120884.db2.gz GAJDRQYLWXUVME-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO NC(C(=O)NCCCC[NH3+])C(F)(F)F ZINC000389945409 358431492 /nfs/dbraw/zinc/43/14/92/358431492.db2.gz QIBJESVYTUDHKW-RXMQYKEDSA-N 1 3 213.203 -0.269 20 0 BBADHO NC(C(=O)NCCCC[NH3+])C(F)(F)F ZINC000389945410 357072500 /nfs/dbraw/zinc/07/25/00/357072500.db2.gz QIBJESVYTUDHKW-YFKPBYRVSA-N 1 3 213.203 -0.269 20 0 BBADHO N#Cc1ccc(CNC(CN)C[NH3+])cc1 ZINC000390248880 711109947 /nfs/dbraw/zinc/10/99/47/711109947.db2.gz JXYRSYQLSCHKLP-UHFFFAOYSA-N 1 3 204.277 -0.066 20 0 BBADHO NCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000390262041 397884450 /nfs/dbraw/zinc/88/44/50/397884450.db2.gz OGDIOAIPISBSOY-NXEZZACHSA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390262042 398169059 /nfs/dbraw/zinc/16/90/59/398169059.db2.gz OGDIOAIPISBSOY-UWVGGRQHSA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000390262043 397884411 /nfs/dbraw/zinc/88/44/11/397884411.db2.gz OGDIOAIPISBSOY-VHSXEESVSA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390262044 397884415 /nfs/dbraw/zinc/88/44/15/397884415.db2.gz OGDIOAIPISBSOY-ZJUUUORDSA-N 1 3 211.309 -0.064 20 0 BBADHO NC(C(=O)N1CCC([NH3+])CC1)C(F)(F)F ZINC000390270738 357087997 /nfs/dbraw/zinc/08/79/97/357087997.db2.gz ROQKKAWRECWFTC-LURJTMIESA-N 1 3 225.214 -0.174 20 0 BBADHO NC(C(=O)N1CCC([NH3+])CC1)C(F)(F)F ZINC000390270740 357087808 /nfs/dbraw/zinc/08/78/08/357087808.db2.gz ROQKKAWRECWFTC-ZCFIWIBFSA-N 1 3 225.214 -0.174 20 0 BBADHO CC(C)([NH3+])CNC(=O)CCOC1CNC1 ZINC000390277130 357088075 /nfs/dbraw/zinc/08/80/75/357088075.db2.gz UAWLFBDQRLSXEW-UHFFFAOYSA-N 1 3 215.297 -0.782 20 0 BBADHO NC1(C[NH2+]CCN2CCOC2=O)CCC1 ZINC000390289149 711111079 /nfs/dbraw/zinc/11/10/79/711111079.db2.gz XZCBMVIEFMAVFF-UHFFFAOYSA-N 1 3 213.281 -0.090 20 0 BBADHO [NH3+]CCCCNC(=O)CCOC1CNC1 ZINC000390298144 371194075 /nfs/dbraw/zinc/19/40/75/371194075.db2.gz BLCYZSASMIPTIT-UHFFFAOYSA-N 1 3 215.297 -0.780 20 0 BBADHO NC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000390302028 357086258 /nfs/dbraw/zinc/08/62/58/357086258.db2.gz CSEICSLPRCMFFU-BDAKNGLRSA-N 1 3 209.293 -0.169 20 0 BBADHO CN(C(=O)[C@@H](N)CC(F)F)[C@H]1CC[NH2+]C1 ZINC000390410483 371200356 /nfs/dbraw/zinc/20/03/56/371200356.db2.gz DQUPMECOTKEULO-BQBZGAKWSA-N 1 3 221.251 -0.211 20 0 BBADHO CN(C(=O)[C@H](N)CC(F)F)[C@H]1CC[NH2+]C1 ZINC000390410484 371200442 /nfs/dbraw/zinc/20/04/42/371200442.db2.gz DQUPMECOTKEULO-NKWVEPMBSA-N 1 3 221.251 -0.211 20 0 BBADHO CN(C(=O)[C@H](N)CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000390410487 371200051 /nfs/dbraw/zinc/20/00/51/371200051.db2.gz DQUPMECOTKEULO-RNFRBKRXSA-N 1 3 221.251 -0.211 20 0 BBADHO CN(C(=O)[C@@H](N)CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000390410488 371200041 /nfs/dbraw/zinc/20/00/41/371200041.db2.gz DQUPMECOTKEULO-RQJHMYQMSA-N 1 3 221.251 -0.211 20 0 BBADHO NC(=O)CC[NH2+]C[C@H](O)CN1CCCCC1 ZINC000390456909 357093730 /nfs/dbraw/zinc/09/37/30/357093730.db2.gz AJOZYWGDAXKIAF-JTQLQIEISA-N 1 3 229.324 -0.702 20 0 BBADHO NC(=O)CC[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000390456911 357093787 /nfs/dbraw/zinc/09/37/87/357093787.db2.gz AJOZYWGDAXKIAF-SNVBAGLBSA-N 1 3 229.324 -0.702 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)[C@@H](CN)OC ZINC000390463411 357094949 /nfs/dbraw/zinc/09/49/49/357094949.db2.gz GUQMTFPAGIGHOP-MRVPVSSYSA-N 1 3 217.313 -0.406 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)[C@H](CN)OC ZINC000390463412 357094439 /nfs/dbraw/zinc/09/44/39/357094439.db2.gz GUQMTFPAGIGHOP-QMMMGPOBSA-N 1 3 217.313 -0.406 20 0 BBADHO CC[NH+](CC)CCNCCC(=O)NC(N)=O ZINC000390482805 259390468 /nfs/dbraw/zinc/39/04/68/259390468.db2.gz NKTRWOGYYXOEIU-UHFFFAOYSA-N 1 3 230.312 -0.497 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)CCOC1CNC1 ZINC000390493009 356771923 /nfs/dbraw/zinc/77/19/23/356771923.db2.gz QZPAFTFFUBOESK-MRVPVSSYSA-N 1 3 215.297 -0.924 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)CCOC1CNC1 ZINC000390493013 356772148 /nfs/dbraw/zinc/77/21/48/356772148.db2.gz QZPAFTFFUBOESK-QMMMGPOBSA-N 1 3 215.297 -0.924 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)C[C@H]1CNCCO1 ZINC000390503532 357098643 /nfs/dbraw/zinc/09/86/43/357098643.db2.gz VYANFAHHUNXLIU-BDAKNGLRSA-N 1 3 215.297 -0.924 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)C[C@@H]1CNCCO1 ZINC000390503535 357098608 /nfs/dbraw/zinc/09/86/08/357098608.db2.gz VYANFAHHUNXLIU-DTWKUNHWSA-N 1 3 215.297 -0.924 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)C[C@H]1CNCCO1 ZINC000390503536 357098852 /nfs/dbraw/zinc/09/88/52/357098852.db2.gz VYANFAHHUNXLIU-IUCAKERBSA-N 1 3 215.297 -0.924 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)C[C@@H]1CNCCO1 ZINC000390503539 357098803 /nfs/dbraw/zinc/09/88/03/357098803.db2.gz VYANFAHHUNXLIU-RKDXNWHRSA-N 1 3 215.297 -0.924 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](CN)OC)C1 ZINC000390509898 323084587 /nfs/dbraw/zinc/08/45/87/323084587.db2.gz ZAURFNAAGWCAOY-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](CN)OC)C1 ZINC000390509900 323084611 /nfs/dbraw/zinc/08/46/11/323084611.db2.gz ZAURFNAAGWCAOY-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](CN)OC)C1 ZINC000390509901 323084572 /nfs/dbraw/zinc/08/45/72/323084572.db2.gz ZAURFNAAGWCAOY-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CN)OC)C1 ZINC000390509903 323084589 /nfs/dbraw/zinc/08/45/89/323084589.db2.gz ZAURFNAAGWCAOY-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000390537295 357101341 /nfs/dbraw/zinc/10/13/41/357101341.db2.gz KKWNJTWFDWWBIN-DJLDLDEBSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000390537298 347382838 /nfs/dbraw/zinc/38/28/38/347382838.db2.gz KKWNJTWFDWWBIN-HRDYMLBCSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1CCN[C@H](C)[C@H]1C ZINC000390537300 357101555 /nfs/dbraw/zinc/10/15/55/357101555.db2.gz KKWNJTWFDWWBIN-IWSPIJDZSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000390537301 357101773 /nfs/dbraw/zinc/10/17/73/357101773.db2.gz KKWNJTWFDWWBIN-XHNCKOQMSA-N 1 3 215.297 -0.831 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](N)CC(F)F ZINC000390549273 371215292 /nfs/dbraw/zinc/21/52/92/371215292.db2.gz OATJSFYRRPZJEQ-BQBZGAKWSA-N 1 3 223.267 -0.059 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](N)CC(F)F ZINC000390549274 371216035 /nfs/dbraw/zinc/21/60/35/371216035.db2.gz OATJSFYRRPZJEQ-NKWVEPMBSA-N 1 3 223.267 -0.059 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](N)CC(F)F ZINC000390549276 371215634 /nfs/dbraw/zinc/21/56/34/371215634.db2.gz OATJSFYRRPZJEQ-RNFRBKRXSA-N 1 3 223.267 -0.059 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](N)CC(F)F ZINC000390549277 371215341 /nfs/dbraw/zinc/21/53/41/371215341.db2.gz OATJSFYRRPZJEQ-RQJHMYQMSA-N 1 3 223.267 -0.059 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000390566495 259393619 /nfs/dbraw/zinc/39/36/19/259393619.db2.gz TWSPLSOYLDLALQ-BDAKNGLRSA-N 1 3 215.297 -0.700 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000390566497 259393579 /nfs/dbraw/zinc/39/35/79/259393579.db2.gz TWSPLSOYLDLALQ-DTWKUNHWSA-N 1 3 215.297 -0.700 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000390566499 259393561 /nfs/dbraw/zinc/39/35/61/259393561.db2.gz TWSPLSOYLDLALQ-IUCAKERBSA-N 1 3 215.297 -0.700 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000390566501 259393570 /nfs/dbraw/zinc/39/35/70/259393570.db2.gz TWSPLSOYLDLALQ-RKDXNWHRSA-N 1 3 215.297 -0.700 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000390569958 397896129 /nfs/dbraw/zinc/89/61/29/397896129.db2.gz UVGSXUUCSOEBEY-HTQZYQBOSA-N 1 3 215.297 -0.702 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000390569959 397896107 /nfs/dbraw/zinc/89/61/07/397896107.db2.gz UVGSXUUCSOEBEY-JGVFFNPUSA-N 1 3 215.297 -0.702 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000390569960 398174710 /nfs/dbraw/zinc/17/47/10/398174710.db2.gz UVGSXUUCSOEBEY-SFYZADRCSA-N 1 3 215.297 -0.702 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000390569961 398174554 /nfs/dbraw/zinc/17/45/54/398174554.db2.gz UVGSXUUCSOEBEY-YUMQZZPRSA-N 1 3 215.297 -0.702 20 0 BBADHO CO[C@H](CN)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000390615273 371219219 /nfs/dbraw/zinc/21/92/19/371219219.db2.gz GQMFGWYGJYOTCS-PSASIEDQSA-N 1 3 215.297 -0.796 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000390615274 371219513 /nfs/dbraw/zinc/21/95/13/371219513.db2.gz GQMFGWYGJYOTCS-SCZZXKLOSA-N 1 3 215.297 -0.796 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000390615275 371219581 /nfs/dbraw/zinc/21/95/81/371219581.db2.gz GQMFGWYGJYOTCS-WCBMZHEXSA-N 1 3 215.297 -0.796 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000390615276 371218361 /nfs/dbraw/zinc/21/83/61/371218361.db2.gz GQMFGWYGJYOTCS-WPRPVWTQSA-N 1 3 215.297 -0.796 20 0 BBADHO C[NH+]1CCC(O)(CNCc2cn[nH]c2)CC1 ZINC000390661713 371225452 /nfs/dbraw/zinc/22/54/52/371225452.db2.gz SKQMZJQTLUEYBS-UHFFFAOYSA-N 1 3 224.308 -0.044 20 0 BBADHO CSCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000390672514 357110670 /nfs/dbraw/zinc/11/06/70/357110670.db2.gz WABNFHSASBCATC-BDAKNGLRSA-N 1 3 231.365 -0.080 20 0 BBADHO CSCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000390672515 357110893 /nfs/dbraw/zinc/11/08/93/357110893.db2.gz WABNFHSASBCATC-RKDXNWHRSA-N 1 3 231.365 -0.080 20 0 BBADHO CCC[NH2+]CCNC(=O)COC1CNC1 ZINC000390753712 347457904 /nfs/dbraw/zinc/45/79/04/347457904.db2.gz FPSWWJNYISWKNE-UHFFFAOYSA-N 1 3 215.297 -0.909 20 0 BBADHO CNCC(=O)NCCNc1cc[nH+]cc1 ZINC000390756582 357115291 /nfs/dbraw/zinc/11/52/91/357115291.db2.gz IBWBYRMDUJWEPM-UHFFFAOYSA-N 1 3 208.265 -0.749 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000390781349 398248341 /nfs/dbraw/zinc/24/83/41/398248341.db2.gz KEKLSZOPDJOQTO-IVZWLZJFSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1C ZINC000390781351 398248157 /nfs/dbraw/zinc/24/81/57/398248157.db2.gz KEKLSZOPDJOQTO-KXUCPTDWSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1C ZINC000390781352 398248297 /nfs/dbraw/zinc/24/82/97/398248297.db2.gz KEKLSZOPDJOQTO-LPEHRKFASA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1C ZINC000390781354 398248154 /nfs/dbraw/zinc/24/81/54/398248154.db2.gz KEKLSZOPDJOQTO-OPRDCNLKSA-N 1 3 211.309 -0.053 20 0 BBADHO CC[NH2+]CCCNC(=O)CNCCOC ZINC000390782124 357116488 /nfs/dbraw/zinc/11/64/88/357116488.db2.gz KWLYJKFAGGBWAH-UHFFFAOYSA-N 1 3 217.313 -0.662 20 0 BBADHO O=C(CNC1CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000390798549 488179887 /nfs/dbraw/zinc/17/98/87/488179887.db2.gz VINLVXKRIDFTKC-JTQLQIEISA-N 1 3 211.309 -0.003 20 0 BBADHO O=C(CNC1CC1)NC[C@H]1CCCC[NH2+]1 ZINC000390798550 488179908 /nfs/dbraw/zinc/17/99/08/488179908.db2.gz VINLVXKRIDFTKC-SNVBAGLBSA-N 1 3 211.309 -0.003 20 0 BBADHO CC1(NC(=O)CNC2CC2)CC[NH2+]CC1 ZINC000390819649 357117392 /nfs/dbraw/zinc/11/73/92/357117392.db2.gz ULLCTEMAIBKWBO-UHFFFAOYSA-N 1 3 211.309 -0.003 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000390820500 491125646 /nfs/dbraw/zinc/12/56/46/491125646.db2.gz WIVSSOMNDCLASW-BDAKNGLRSA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000390820501 491125672 /nfs/dbraw/zinc/12/56/72/491125672.db2.gz WIVSSOMNDCLASW-DTWKUNHWSA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000390820502 491125641 /nfs/dbraw/zinc/12/56/41/491125641.db2.gz WIVSSOMNDCLASW-IUCAKERBSA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000390820503 398252628 /nfs/dbraw/zinc/25/26/28/398252628.db2.gz WIVSSOMNDCLASW-RKDXNWHRSA-N 1 3 211.309 -0.147 20 0 BBADHO Cc1ncc(CNC(CN)C[NH3+])s1 ZINC000393617528 711166841 /nfs/dbraw/zinc/16/68/41/711166841.db2.gz COLPBPNVYYTVJY-UHFFFAOYSA-N 1 3 200.311 -0.173 20 0 BBADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000393748418 357405778 /nfs/dbraw/zinc/40/57/78/357405778.db2.gz MFQGDPUOCUNCKE-BQBZGAKWSA-N 1 3 221.251 -0.163 20 0 BBADHO N[C@H](CC(F)F)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000393748419 357295349 /nfs/dbraw/zinc/29/53/49/357295349.db2.gz MFQGDPUOCUNCKE-NKWVEPMBSA-N 1 3 221.251 -0.163 20 0 BBADHO N[C@H](CC(F)F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000393748420 357295248 /nfs/dbraw/zinc/29/52/48/357295248.db2.gz MFQGDPUOCUNCKE-RNFRBKRXSA-N 1 3 221.251 -0.163 20 0 BBADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000393748421 357295223 /nfs/dbraw/zinc/29/52/23/357295223.db2.gz MFQGDPUOCUNCKE-RQJHMYQMSA-N 1 3 221.251 -0.163 20 0 BBADHO CC1(C)CNCCN1C(=O)COCC[NH3+] ZINC000393809750 410761378 /nfs/dbraw/zinc/76/13/78/410761378.db2.gz RRVZKFGYIQHDDD-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO C[C@@H]1CN(C(=O)CNC2CC2)CC[C@H]1[NH3+] ZINC000393810490 357301146 /nfs/dbraw/zinc/30/11/46/357301146.db2.gz UNIJJAZSQGAHNV-PSASIEDQSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]1CN(C(=O)CNC2CC2)CC[C@@H]1[NH3+] ZINC000393810491 357300961 /nfs/dbraw/zinc/30/09/61/357300961.db2.gz UNIJJAZSQGAHNV-SCZZXKLOSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]1CN(C(=O)CNC2CC2)CC[C@H]1[NH3+] ZINC000393810492 357301096 /nfs/dbraw/zinc/30/10/96/357301096.db2.gz UNIJJAZSQGAHNV-WCBMZHEXSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]1CN(C(=O)CNC2CC2)CC[C@@H]1[NH3+] ZINC000393810493 357301226 /nfs/dbraw/zinc/30/12/26/357301226.db2.gz UNIJJAZSQGAHNV-WPRPVWTQSA-N 1 3 211.309 -0.066 20 0 BBADHO CNCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000393810741 357301183 /nfs/dbraw/zinc/30/11/83/357301183.db2.gz UXYAAULBJPZAMX-ULKQDVFKSA-N 1 3 211.309 -0.053 20 0 BBADHO O=C(CN1CCNCC1)NC[C@@H]1CCC[NH2+]C1 ZINC000393843138 487764473 /nfs/dbraw/zinc/76/44/73/487764473.db2.gz XVAZNEAUPFHOJM-LLVKDONJSA-N 1 3 240.351 -0.993 20 0 BBADHO O=C(CN1CCNCC1)NC[C@H]1CCC[NH2+]C1 ZINC000393843139 487764155 /nfs/dbraw/zinc/76/41/55/487764155.db2.gz XVAZNEAUPFHOJM-NSHDSACASA-N 1 3 240.351 -0.993 20 0 BBADHO CC(CO)(CO)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000393865569 353977484 /nfs/dbraw/zinc/97/74/84/353977484.db2.gz UXSMPUFEJJNJHK-LLVKDONJSA-N 1 3 246.351 -0.976 20 0 BBADHO CC(CO)(CO)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000393865570 353977582 /nfs/dbraw/zinc/97/75/82/353977582.db2.gz UXSMPUFEJJNJHK-NSHDSACASA-N 1 3 246.351 -0.976 20 0 BBADHO CC(C)(C[NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000393917510 410768797 /nfs/dbraw/zinc/76/87/97/410768797.db2.gz XXFXBBWAETTYTO-YUMQZZPRSA-N 1 3 217.288 -0.213 20 0 BBADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)CO)C2 ZINC000394415193 710881217 /nfs/dbraw/zinc/88/12/17/710881217.db2.gz JEMBZOAGJHHJJV-AYLPWXGPSA-N 1 3 228.336 -0.103 20 0 BBADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)CO)C2 ZINC000394415193 710881215 /nfs/dbraw/zinc/88/12/15/710881215.db2.gz JEMBZOAGJHHJJV-AYLPWXGPSA-N 1 3 228.336 -0.103 20 0 BBADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)CO)C2 ZINC000394415202 710881264 /nfs/dbraw/zinc/88/12/64/710881264.db2.gz JEMBZOAGJHHJJV-MBYGNEARSA-N 1 3 228.336 -0.103 20 0 BBADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)CO)C2 ZINC000394415202 710881260 /nfs/dbraw/zinc/88/12/60/710881260.db2.gz JEMBZOAGJHHJJV-MBYGNEARSA-N 1 3 228.336 -0.103 20 0 BBADHO COCCN(C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000394818579 386477123 /nfs/dbraw/zinc/47/71/23/386477123.db2.gz BLLDTPIZWMCMDS-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000394818582 386477806 /nfs/dbraw/zinc/47/78/06/386477806.db2.gz BLLDTPIZWMCMDS-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO O=C1NCC[C@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000395844155 487877340 /nfs/dbraw/zinc/87/73/40/487877340.db2.gz JKEYJSXWTPIGKW-GARJFASQSA-N 1 3 223.320 -0.336 20 0 BBADHO O=C1NCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000395844156 487877386 /nfs/dbraw/zinc/87/73/86/487877386.db2.gz JKEYJSXWTPIGKW-GMTAPVOTSA-N 1 3 223.320 -0.336 20 0 BBADHO O=C1NCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000395844157 487877372 /nfs/dbraw/zinc/87/73/72/487877372.db2.gz JKEYJSXWTPIGKW-MXWKQRLJSA-N 1 3 223.320 -0.336 20 0 BBADHO O=C1NCC[C@@H]1CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000395844159 487877679 /nfs/dbraw/zinc/87/76/79/487877679.db2.gz JKEYJSXWTPIGKW-VWYCJHECSA-N 1 3 223.320 -0.336 20 0 BBADHO CN(C)CCOCCNC(=O)CC1([NH3+])CC1 ZINC000398075511 488207401 /nfs/dbraw/zinc/20/74/01/488207401.db2.gz IMDVYYRZEMBSNK-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO COCCN(C)CCNC(=O)CC1([NH3+])CC1 ZINC000398103042 487604451 /nfs/dbraw/zinc/60/44/51/487604451.db2.gz UOJQCHREJDILKE-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO CNC(=O)CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000398336277 345221952 /nfs/dbraw/zinc/22/19/52/345221952.db2.gz KNUYTHQGGGAKGS-LLVKDONJSA-N 1 3 243.351 -0.441 20 0 BBADHO CNC(=O)CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000398336280 345222333 /nfs/dbraw/zinc/22/23/33/345222333.db2.gz KNUYTHQGGGAKGS-NSHDSACASA-N 1 3 243.351 -0.441 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399160698 398303807 /nfs/dbraw/zinc/30/38/07/398303807.db2.gz FCIDPHATIHABMG-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399160703 398304029 /nfs/dbraw/zinc/30/40/29/398304029.db2.gz FCIDPHATIHABMG-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO CN(C)CCOCCNC(=O)C1(C)C[NH2+]C1 ZINC000399165263 386429684 /nfs/dbraw/zinc/42/96/84/386429684.db2.gz DXXXOPZZTAVXAX-UHFFFAOYSA-N 1 3 229.324 -0.710 20 0 BBADHO CC1(C(=O)NCCN2CCCC2)C[NH2+]C1 ZINC000399166130 386431759 /nfs/dbraw/zinc/43/17/59/386431759.db2.gz MMPWVPDJMYHQKD-UHFFFAOYSA-N 1 3 211.309 -0.192 20 0 BBADHO CN(CCNC(=O)C1(C)C[NH2+]C1)C1CC1 ZINC000399192558 386449013 /nfs/dbraw/zinc/44/90/13/386449013.db2.gz ZERBECXOAOPMEQ-UHFFFAOYSA-N 1 3 211.309 -0.194 20 0 BBADHO C[NH+](C)CCOCCNC(=O)[C@H](N)C1CCC1 ZINC000399199588 357898378 /nfs/dbraw/zinc/89/83/78/357898378.db2.gz SZSSMEWAHPRIQV-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO C[NH+](C)CCOCCNC(=O)[C@@H](N)C1CCC1 ZINC000399199590 357898795 /nfs/dbraw/zinc/89/87/95/357898795.db2.gz SZSSMEWAHPRIQV-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO COCCN(C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399214486 386458821 /nfs/dbraw/zinc/45/88/21/386458821.db2.gz SQBCCTMNPKJETP-UHFFFAOYSA-N 1 3 229.324 -0.710 20 0 BBADHO OCCC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000401007859 411168366 /nfs/dbraw/zinc/16/83/66/411168366.db2.gz FJSIINYXXRCUEB-UHFFFAOYSA-N 1 3 241.379 -0.014 20 0 BBADHO CN(CCOCC[NH3+])CCc1cnccn1 ZINC000402596520 411270786 /nfs/dbraw/zinc/27/07/86/411270786.db2.gz ORVGESFNKXUCCC-UHFFFAOYSA-N 1 3 224.308 -0.074 20 0 BBADHO CN(CCc1cnccn1)CCN1CC[NH2+]CC1 ZINC000402897635 324187284 /nfs/dbraw/zinc/18/72/84/324187284.db2.gz FSQXVGIEOWQYEQ-UHFFFAOYSA-N 1 3 249.362 -0.144 20 0 BBADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCn1cncn1 ZINC000404826251 385085303 /nfs/dbraw/zinc/08/53/03/385085303.db2.gz GPBFZVUEPLYZRC-BDAKNGLRSA-N 1 3 209.297 -0.007 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCn1cncn1 ZINC000404826251 385085299 /nfs/dbraw/zinc/08/52/99/385085299.db2.gz GPBFZVUEPLYZRC-BDAKNGLRSA-N 1 3 209.297 -0.007 20 0 BBADHO CC1(C)[C@H]([NH2+]CCn2cncn2)C[C@@H]1N ZINC000404826253 385084715 /nfs/dbraw/zinc/08/47/15/385084715.db2.gz GPBFZVUEPLYZRC-DTWKUNHWSA-N 1 3 209.297 -0.007 20 0 BBADHO CC1(C)[C@H](NCCn2cncn2)C[C@@H]1[NH3+] ZINC000404826253 385084705 /nfs/dbraw/zinc/08/47/05/385084705.db2.gz GPBFZVUEPLYZRC-DTWKUNHWSA-N 1 3 209.297 -0.007 20 0 BBADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCn1cncn1 ZINC000404826255 385084997 /nfs/dbraw/zinc/08/49/97/385084997.db2.gz GPBFZVUEPLYZRC-IUCAKERBSA-N 1 3 209.297 -0.007 20 0 BBADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCn1cncn1 ZINC000404826255 385084986 /nfs/dbraw/zinc/08/49/86/385084986.db2.gz GPBFZVUEPLYZRC-IUCAKERBSA-N 1 3 209.297 -0.007 20 0 BBADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCn1cncn1 ZINC000404826256 385084760 /nfs/dbraw/zinc/08/47/60/385084760.db2.gz GPBFZVUEPLYZRC-RKDXNWHRSA-N 1 3 209.297 -0.007 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCn1cncn1 ZINC000404826256 385084755 /nfs/dbraw/zinc/08/47/55/385084755.db2.gz GPBFZVUEPLYZRC-RKDXNWHRSA-N 1 3 209.297 -0.007 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404880336 369438302 /nfs/dbraw/zinc/43/83/02/369438302.db2.gz IWTRGXKVOKTLBT-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404880337 369438459 /nfs/dbraw/zinc/43/84/59/369438459.db2.gz IWTRGXKVOKTLBT-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404880338 369438341 /nfs/dbraw/zinc/43/83/41/369438341.db2.gz IWTRGXKVOKTLBT-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404880339 369438990 /nfs/dbraw/zinc/43/89/90/369438990.db2.gz IWTRGXKVOKTLBT-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CN(C)C[C@H]1CCCCN1C(=O)COCC[NH3+] ZINC000404895754 385142935 /nfs/dbraw/zinc/14/29/35/385142935.db2.gz TVVXSWVVSQSHAB-LLVKDONJSA-N 1 3 243.351 -0.096 20 0 BBADHO CN(C)C[C@@H]1CCCCN1C(=O)COCC[NH3+] ZINC000404895755 385142138 /nfs/dbraw/zinc/14/21/38/385142138.db2.gz TVVXSWVVSQSHAB-NSHDSACASA-N 1 3 243.351 -0.096 20 0 BBADHO O[C@@H]1C[C@H]2CN(C[C@@H]3CCC[NH2+]C3)CCN2C1 ZINC000405278564 487479775 /nfs/dbraw/zinc/47/97/75/487479775.db2.gz UAEZXESPXRCYHO-FRRDWIJNSA-N 1 3 239.363 -0.263 20 0 BBADHO O[C@@H]1C[C@H]2CN(C[C@H]3CCC[NH2+]C3)CCN2C1 ZINC000405278566 487479757 /nfs/dbraw/zinc/47/97/57/487479757.db2.gz UAEZXESPXRCYHO-RWMBFGLXSA-N 1 3 239.363 -0.263 20 0 BBADHO C[NH2+]CCCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405320384 487481000 /nfs/dbraw/zinc/48/10/00/487481000.db2.gz UKFYIAWZJGWQHM-WDEREUQCSA-N 1 3 213.325 -0.653 20 0 BBADHO C[N@H+]1CCC[C@@H]1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405321147 411425163 /nfs/dbraw/zinc/42/51/63/411425163.db2.gz RMDMOSGWPDXQRS-FRRDWIJNSA-N 1 3 239.363 -0.169 20 0 BBADHO C[N@@H+]1CCC[C@@H]1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405321147 411425160 /nfs/dbraw/zinc/42/51/60/411425160.db2.gz RMDMOSGWPDXQRS-FRRDWIJNSA-N 1 3 239.363 -0.169 20 0 BBADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000405438220 384335494 /nfs/dbraw/zinc/33/54/94/384335494.db2.gz OCCXVZLUUFISHH-BDAKNGLRSA-N 1 3 239.319 -0.149 20 0 BBADHO CC1(C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C[C@@H]1N ZINC000405438223 384334414 /nfs/dbraw/zinc/33/44/14/384334414.db2.gz OCCXVZLUUFISHH-DTWKUNHWSA-N 1 3 239.319 -0.149 20 0 BBADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000405438226 384334348 /nfs/dbraw/zinc/33/43/48/384334348.db2.gz OCCXVZLUUFISHH-IUCAKERBSA-N 1 3 239.319 -0.149 20 0 BBADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000405438229 384336075 /nfs/dbraw/zinc/33/60/75/384336075.db2.gz OCCXVZLUUFISHH-RKDXNWHRSA-N 1 3 239.319 -0.149 20 0 BBADHO CCO[C@@H]1CN(CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405523251 411433269 /nfs/dbraw/zinc/43/32/69/411433269.db2.gz JUYLTPSNDPCATR-GHMZBOCLSA-N 1 3 243.351 -0.240 20 0 BBADHO C[C@H](CN1CCOCC1)N(C)CCC[NH3+] ZINC000414737214 386307190 /nfs/dbraw/zinc/30/71/90/386307190.db2.gz AFDDHUKNEGCVQV-LLVKDONJSA-N 1 3 215.341 -0.012 20 0 BBADHO C[C@@H](CN1CCOCC1)N(C)CCC[NH3+] ZINC000414737215 386308095 /nfs/dbraw/zinc/30/80/95/386308095.db2.gz AFDDHUKNEGCVQV-NSHDSACASA-N 1 3 215.341 -0.012 20 0 BBADHO CN1CCNC[C@H]1CNCC[NH2+]C(C)(C)C ZINC000414967292 385926913 /nfs/dbraw/zinc/92/69/13/385926913.db2.gz AVWZJKZQJPPALY-LLVKDONJSA-N 1 3 228.384 -0.132 20 0 BBADHO CN1CCNC[C@@H]1CNCC[NH2+]C(C)(C)C ZINC000414967293 385928470 /nfs/dbraw/zinc/92/84/70/385928470.db2.gz AVWZJKZQJPPALY-NSHDSACASA-N 1 3 228.384 -0.132 20 0 BBADHO CC[C@H](COC)NC[C@H]1C[NH2+]CCN1C ZINC000414982614 386075556 /nfs/dbraw/zinc/07/55/56/386075556.db2.gz ZIOSLAXYDHBUHE-GHMZBOCLSA-N 1 3 215.341 -0.095 20 0 BBADHO CC[C@H](COC)NC[C@@H]1C[NH2+]CCN1C ZINC000414982615 386076884 /nfs/dbraw/zinc/07/68/84/386076884.db2.gz ZIOSLAXYDHBUHE-MNOVXSKESA-N 1 3 215.341 -0.095 20 0 BBADHO CC[C@@H](COC)NC[C@@H]1C[NH2+]CCN1C ZINC000414982616 386076127 /nfs/dbraw/zinc/07/61/27/386076127.db2.gz ZIOSLAXYDHBUHE-QWRGUYRKSA-N 1 3 215.341 -0.095 20 0 BBADHO CC[C@@H](COC)NC[C@H]1C[NH2+]CCN1C ZINC000414982617 386076607 /nfs/dbraw/zinc/07/66/07/386076607.db2.gz ZIOSLAXYDHBUHE-WDEREUQCSA-N 1 3 215.341 -0.095 20 0 BBADHO CC1CCN(CCNC(=O)NCC[NH3+])CC1 ZINC000417009023 191773109 /nfs/dbraw/zinc/77/31/09/191773109.db2.gz JSOSUACALQDMIY-UHFFFAOYSA-N 1 3 228.340 -0.024 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)NC[C@H]1CCCN1C ZINC000417276294 386468758 /nfs/dbraw/zinc/46/87/58/386468758.db2.gz DKBWUUJDLQEFDH-NXEZZACHSA-N 1 3 228.340 -0.025 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1CCCN1C ZINC000417276295 386469003 /nfs/dbraw/zinc/46/90/03/386469003.db2.gz DKBWUUJDLQEFDH-UWVGGRQHSA-N 1 3 228.340 -0.025 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)NC[C@H]1CCCN1C ZINC000417276296 386468951 /nfs/dbraw/zinc/46/89/51/386468951.db2.gz DKBWUUJDLQEFDH-VHSXEESVSA-N 1 3 228.340 -0.025 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)NC[C@@H]1CCCN1C ZINC000417276297 386468796 /nfs/dbraw/zinc/46/87/96/386468796.db2.gz DKBWUUJDLQEFDH-ZJUUUORDSA-N 1 3 228.340 -0.025 20 0 BBADHO C[NH2+]CCCNC(=O)NC[C@@H]1CCCN1C ZINC000417277014 386471157 /nfs/dbraw/zinc/47/11/57/386471157.db2.gz FTXYMEZFJJAZOJ-JTQLQIEISA-N 1 3 228.340 -0.011 20 0 BBADHO C[NH2+]CCCNC(=O)NC[C@H]1CCCN1C ZINC000417277015 386471193 /nfs/dbraw/zinc/47/11/93/386471193.db2.gz FTXYMEZFJJAZOJ-SNVBAGLBSA-N 1 3 228.340 -0.011 20 0 BBADHO CC[NH2+]CCNC(=O)NC[C@@H]1CCCN1C ZINC000417288442 386474758 /nfs/dbraw/zinc/47/47/58/386474758.db2.gz RGDDKMAHWOQSMN-JTQLQIEISA-N 1 3 228.340 -0.011 20 0 BBADHO CC[NH2+]CCNC(=O)NC[C@H]1CCCN1C ZINC000417288443 386475305 /nfs/dbraw/zinc/47/53/05/386475305.db2.gz RGDDKMAHWOQSMN-SNVBAGLBSA-N 1 3 228.340 -0.011 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)NCCN(C)CCOC ZINC000417438436 387120591 /nfs/dbraw/zinc/12/05/91/387120591.db2.gz JKOWPNPOXQMPCF-JTQLQIEISA-N 1 3 246.355 -0.399 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)NCCN(C)CCOC ZINC000417438437 387120688 /nfs/dbraw/zinc/12/06/88/387120688.db2.gz JKOWPNPOXQMPCF-SNVBAGLBSA-N 1 3 246.355 -0.399 20 0 BBADHO COCCN(C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417439983 387124990 /nfs/dbraw/zinc/12/49/90/387124990.db2.gz NGPISELUTYLOAN-NXEZZACHSA-N 1 3 246.355 -0.401 20 0 BBADHO COCCN(C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417439985 387124299 /nfs/dbraw/zinc/12/42/99/387124299.db2.gz NGPISELUTYLOAN-UWVGGRQHSA-N 1 3 246.355 -0.401 20 0 BBADHO COCCN(C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417439987 387124424 /nfs/dbraw/zinc/12/44/24/387124424.db2.gz NGPISELUTYLOAN-VHSXEESVSA-N 1 3 246.355 -0.401 20 0 BBADHO COCCN(C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417439988 387124455 /nfs/dbraw/zinc/12/44/55/387124455.db2.gz NGPISELUTYLOAN-ZJUUUORDSA-N 1 3 246.355 -0.401 20 0 BBADHO COCCN(C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417442496 385926793 /nfs/dbraw/zinc/92/67/93/385926793.db2.gz UVJDSCGDIZBXIN-JTQLQIEISA-N 1 3 246.355 -0.541 20 0 BBADHO COCCN(C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417442498 385927700 /nfs/dbraw/zinc/92/77/00/385927700.db2.gz UVJDSCGDIZBXIN-SNVBAGLBSA-N 1 3 246.355 -0.541 20 0 BBADHO COCCN(C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417443052 385930107 /nfs/dbraw/zinc/93/01/07/385930107.db2.gz WUXXVLGPTDCMPT-UHFFFAOYSA-N 1 3 246.355 -0.399 20 0 BBADHO COCCN(C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417445288 385938279 /nfs/dbraw/zinc/93/82/79/385938279.db2.gz GMYXKPLIWNMOMQ-JTQLQIEISA-N 1 3 246.355 -0.399 20 0 BBADHO CC[NH2+]CCNC(=O)NCCN(C)CCOC ZINC000417446057 385955595 /nfs/dbraw/zinc/95/55/95/385955595.db2.gz JKHJJURECPBELB-UHFFFAOYSA-N 1 3 246.355 -0.527 20 0 BBADHO COCCN(C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417448040 385962890 /nfs/dbraw/zinc/96/28/90/385962890.db2.gz SPQNJJBBRZYBFI-UHFFFAOYSA-N 1 3 246.355 -0.399 20 0 BBADHO COCCN(C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417450008 385976805 /nfs/dbraw/zinc/97/68/05/385976805.db2.gz ZIBODMRJEXUEIV-JTQLQIEISA-N 1 3 246.355 -0.399 20 0 BBADHO COCCN(C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417450009 385976463 /nfs/dbraw/zinc/97/64/63/385976463.db2.gz ZIBODMRJEXUEIV-SNVBAGLBSA-N 1 3 246.355 -0.399 20 0 BBADHO CCN(CCNC(=O)NCC[NH2+]C)C1CC1 ZINC000417478352 386114522 /nfs/dbraw/zinc/11/45/22/386114522.db2.gz DHQNTIIGSUOQJY-UHFFFAOYSA-N 1 3 228.340 -0.011 20 0 BBADHO CCN(CCNC(=O)NCC[NH3+])C1CC1 ZINC000417487384 386140495 /nfs/dbraw/zinc/14/04/95/386140495.db2.gz NPBQWHSRXOUKAQ-UHFFFAOYSA-N 1 3 214.313 -0.271 20 0 BBADHO C[NH2+]CCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417551831 386354594 /nfs/dbraw/zinc/35/45/94/386354594.db2.gz OWSLEAFAVVVGFX-SECBINFHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417551832 386356190 /nfs/dbraw/zinc/35/61/90/386356190.db2.gz OWSLEAFAVVVGFX-VIFPVBQESA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCCNC(=O)NCCN(C)C1CC1 ZINC000417623852 386472651 /nfs/dbraw/zinc/47/26/51/386472651.db2.gz JNEHCWFKBBIDAV-UHFFFAOYSA-N 1 3 228.340 -0.011 20 0 BBADHO CC[NH2+]CCNC(=O)NCCN(C)C1CC1 ZINC000417625809 386463302 /nfs/dbraw/zinc/46/33/02/386463302.db2.gz MWZFZUIWNHMNHJ-UHFFFAOYSA-N 1 3 228.340 -0.011 20 0 BBADHO C[NH2+]CCN(C)C(=O)NCCN(C)C1CC1 ZINC000417627447 487989702 /nfs/dbraw/zinc/98/97/02/487989702.db2.gz PKURSLMUYGZDFP-UHFFFAOYSA-N 1 3 228.340 -0.059 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)NCCN(C)C1CC1 ZINC000417634026 191909858 /nfs/dbraw/zinc/90/98/58/191909858.db2.gz YQGINQOESOGJBB-SECBINFHSA-N 1 3 228.340 -0.025 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)NCCN(C)C1CC1 ZINC000417634028 386478422 /nfs/dbraw/zinc/47/84/22/386478422.db2.gz YQGINQOESOGJBB-VIFPVBQESA-N 1 3 228.340 -0.025 20 0 BBADHO COCCCN(C)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417753628 488013468 /nfs/dbraw/zinc/01/34/68/488013468.db2.gz OXMVINQBQUUPKH-JTQLQIEISA-N 1 3 246.355 -0.399 20 0 BBADHO COCCCN(C)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417753629 488012932 /nfs/dbraw/zinc/01/29/32/488012932.db2.gz OXMVINQBQUUPKH-SNVBAGLBSA-N 1 3 246.355 -0.399 20 0 BBADHO COCC[NH2+]CC(=O)N1CCNC(C)(C)C1 ZINC000417823936 398294425 /nfs/dbraw/zinc/29/44/25/398294425.db2.gz AWWMZNWIEPSRTD-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO COCCNCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417835309 386793423 /nfs/dbraw/zinc/79/34/23/386793423.db2.gz NRAWZVTZMDMOGE-LLVKDONJSA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417835310 386792507 /nfs/dbraw/zinc/79/25/07/386792507.db2.gz NRAWZVTZMDMOGE-NSHDSACASA-N 1 3 243.351 -0.144 20 0 BBADHO C[NH2+]CCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000417877357 386832076 /nfs/dbraw/zinc/83/20/76/386832076.db2.gz PRIBLOCKTUFKEN-GXSJLCMTSA-N 1 3 240.351 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000417877358 386831656 /nfs/dbraw/zinc/83/16/56/386831656.db2.gz PRIBLOCKTUFKEN-KOLCDFICSA-N 1 3 240.351 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000417877359 386831807 /nfs/dbraw/zinc/83/18/07/386831807.db2.gz PRIBLOCKTUFKEN-MWLCHTKSSA-N 1 3 240.351 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000417877360 386832056 /nfs/dbraw/zinc/83/20/56/386832056.db2.gz PRIBLOCKTUFKEN-ONGXEEELSA-N 1 3 240.351 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000417999518 386812535 /nfs/dbraw/zinc/81/25/35/386812535.db2.gz IJKZJXYCKOPXOY-NXEZZACHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000417999520 386813729 /nfs/dbraw/zinc/81/37/29/386813729.db2.gz IJKZJXYCKOPXOY-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000417999522 191950682 /nfs/dbraw/zinc/95/06/82/191950682.db2.gz IJKZJXYCKOPXOY-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000417999524 386813471 /nfs/dbraw/zinc/81/34/71/386813471.db2.gz IJKZJXYCKOPXOY-ZJUUUORDSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H]1[C@@H](NC(=O)NCC[NH3+])CCCN1C ZINC000418013561 386918839 /nfs/dbraw/zinc/91/88/39/386918839.db2.gz ZKCZYPIGIYSBDD-BDAKNGLRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H]1[C@H](NC(=O)NCC[NH3+])CCCN1C ZINC000418013564 386920001 /nfs/dbraw/zinc/92/00/01/386920001.db2.gz ZKCZYPIGIYSBDD-DTWKUNHWSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H]1[C@@H](NC(=O)NCC[NH3+])CCCN1C ZINC000418013565 386920356 /nfs/dbraw/zinc/92/03/56/386920356.db2.gz ZKCZYPIGIYSBDD-IUCAKERBSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H]1[C@H](NC(=O)NCC[NH3+])CCCN1C ZINC000418013566 386920129 /nfs/dbraw/zinc/92/01/29/386920129.db2.gz ZKCZYPIGIYSBDD-RKDXNWHRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418179346 387191425 /nfs/dbraw/zinc/19/14/25/387191425.db2.gz AKUROMLRYIUVAT-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418179347 191992276 /nfs/dbraw/zinc/99/22/76/191992276.db2.gz AKUROMLRYIUVAT-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO CC[NH2+]CCNC(=O)N[C@@H](C)CN(C)C ZINC000418180207 387192941 /nfs/dbraw/zinc/19/29/41/387192941.db2.gz BLXQPJDURFNJAS-VIFPVBQESA-N 1 3 216.329 -0.155 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418193193 191994672 /nfs/dbraw/zinc/99/46/72/191994672.db2.gz CXKVCHIFTQTZEP-WCBMZHEXSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418193194 387213833 /nfs/dbraw/zinc/21/38/33/387213833.db2.gz CXKVCHIFTQTZEP-WPRPVWTQSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)NC(C)(C)C[NH3+] ZINC000418202676 397991947 /nfs/dbraw/zinc/99/19/47/397991947.db2.gz JEDMXCMKRHYBNK-QMMMGPOBSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418203207 387217834 /nfs/dbraw/zinc/21/78/34/387217834.db2.gz KBDKLXWNBVLYLG-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418203208 191995328 /nfs/dbraw/zinc/99/53/28/191995328.db2.gz KBDKLXWNBVLYLG-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418210167 387222517 /nfs/dbraw/zinc/22/25/17/387222517.db2.gz SKPWLQCMYXKSJD-AXFHLTTASA-N 1 3 240.351 -0.060 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)CN(C)C ZINC000418211704 387222067 /nfs/dbraw/zinc/22/20/67/387222067.db2.gz UIFIMPCJANIUTH-DTWKUNHWSA-N 1 3 216.329 -0.027 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)CN(C)C ZINC000418211707 387221913 /nfs/dbraw/zinc/22/19/13/387221913.db2.gz UIFIMPCJANIUTH-IUCAKERBSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)NCC(C)(C)[NH3+] ZINC000418211709 387222208 /nfs/dbraw/zinc/22/22/08/387222208.db2.gz UIFQMNVYKCPRMC-QMMMGPOBSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418213278 387223592 /nfs/dbraw/zinc/22/35/92/387223592.db2.gz VXBNLIYPTCMEIC-WCBMZHEXSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418213279 387223883 /nfs/dbraw/zinc/22/38/83/387223883.db2.gz VXBNLIYPTCMEIC-WPRPVWTQSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N[C@@H](C)CN(C)C ZINC000418216773 387225887 /nfs/dbraw/zinc/22/58/87/387225887.db2.gz ZULKIXRDYBAXOW-BDAKNGLRSA-N 1 3 216.329 -0.170 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)CN(C)C ZINC000418216776 387225761 /nfs/dbraw/zinc/22/57/61/387225761.db2.gz ZULKIXRDYBAXOW-IUCAKERBSA-N 1 3 216.329 -0.170 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)NC[C@H](C)N(C)C ZINC000418243437 192005046 /nfs/dbraw/zinc/00/50/46/192005046.db2.gz AFSSTDDYCWREFI-BDAKNGLRSA-N 1 3 216.329 -0.170 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)NC[C@H](C)N(C)C ZINC000418243439 192004405 /nfs/dbraw/zinc/00/44/05/192004405.db2.gz AFSSTDDYCWREFI-IUCAKERBSA-N 1 3 216.329 -0.170 20 0 BBADHO C[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)N(C)C ZINC000418249529 387234553 /nfs/dbraw/zinc/23/45/53/387234553.db2.gz GGVUWXCDAUHJGI-WCBMZHEXSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)N(C)C ZINC000418249532 192007527 /nfs/dbraw/zinc/00/75/27/192007527.db2.gz GGVUWXCDAUHJGI-WPRPVWTQSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N(C)C ZINC000418251893 387233589 /nfs/dbraw/zinc/23/35/89/387233589.db2.gz IOJZGXMLQCVMCS-AXFHLTTASA-N 1 3 240.351 -0.060 20 0 BBADHO C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)N(C)C ZINC000418253490 192008670 /nfs/dbraw/zinc/00/86/70/192008670.db2.gz JTYFUXBJAVOTRT-WCBMZHEXSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)N(C)C ZINC000418253491 192008235 /nfs/dbraw/zinc/00/82/35/192008235.db2.gz JTYFUXBJAVOTRT-WPRPVWTQSA-N 1 3 228.340 -0.027 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](C)N(C)C ZINC000418256276 192005274 /nfs/dbraw/zinc/00/52/74/192005274.db2.gz MHCVITUTLHOVLR-DTWKUNHWSA-N 1 3 216.329 -0.027 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](C)N(C)C ZINC000418256278 192005247 /nfs/dbraw/zinc/00/52/47/192005247.db2.gz MHCVITUTLHOVLR-IUCAKERBSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)N(C)C ZINC000418262254 192008896 /nfs/dbraw/zinc/00/88/96/192008896.db2.gz QJXHPHPEYBNGJK-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)N(C)C ZINC000418262256 192009639 /nfs/dbraw/zinc/00/96/39/192009639.db2.gz QJXHPHPEYBNGJK-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H](CNC(=O)NC(C)(C)C[NH3+])N(C)C ZINC000418264026 192009442 /nfs/dbraw/zinc/00/94/42/192009442.db2.gz SEVXHIYMFPOHEP-QMMMGPOBSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@@H](CNC(=O)NCC(C)(C)[NH3+])N(C)C ZINC000418266764 387237364 /nfs/dbraw/zinc/23/73/64/387237364.db2.gz VQMLSNVRTOMTPP-QMMMGPOBSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000418266783 387237517 /nfs/dbraw/zinc/23/75/17/387237517.db2.gz VRGWBKQUINVNMS-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000418266784 387237629 /nfs/dbraw/zinc/23/76/29/387237629.db2.gz VRGWBKQUINVNMS-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO CC[NH2+]CCNC(=O)NC[C@H](C)N(C)C ZINC000418266832 192010491 /nfs/dbraw/zinc/01/04/91/192010491.db2.gz VXMAVJDACQQDHT-VIFPVBQESA-N 1 3 216.329 -0.155 20 0 BBADHO CN(C)CCNC(=O)NCCC[NH2+]C1CC1 ZINC000418293624 192018689 /nfs/dbraw/zinc/01/86/89/192018689.db2.gz BQGNNSVZIJPZNG-UHFFFAOYSA-N 1 3 228.340 -0.011 20 0 BBADHO C[NH2+]CCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418301811 387803783 /nfs/dbraw/zinc/80/37/83/387803783.db2.gz AARJZRSGTKGIPK-NXEZZACHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418301813 387804394 /nfs/dbraw/zinc/80/43/94/387804394.db2.gz AARJZRSGTKGIPK-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418301815 387804863 /nfs/dbraw/zinc/80/48/63/387804863.db2.gz AARJZRSGTKGIPK-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418301816 387804487 /nfs/dbraw/zinc/80/44/87/387804487.db2.gz AARJZRSGTKGIPK-ZJUUUORDSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418302477 387803842 /nfs/dbraw/zinc/80/38/42/387803842.db2.gz BDDQXVDRYHLAKL-NXEZZACHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418302478 387804290 /nfs/dbraw/zinc/80/42/90/387804290.db2.gz BDDQXVDRYHLAKL-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418302479 387804646 /nfs/dbraw/zinc/80/46/46/387804646.db2.gz BDDQXVDRYHLAKL-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418302480 387805098 /nfs/dbraw/zinc/80/50/98/387805098.db2.gz BDDQXVDRYHLAKL-ZJUUUORDSA-N 1 3 228.340 -0.012 20 0 BBADHO [NH3+]CCCNC(=O)NCCNc1ccncc1 ZINC000418306354 192021253 /nfs/dbraw/zinc/02/12/53/192021253.db2.gz AVVZRFUWTFCIOX-UHFFFAOYSA-N 1 3 237.307 -0.437 20 0 BBADHO C[NH2+]CCNC(=O)NC(C)(C)CN(C)C ZINC000418313120 192022321 /nfs/dbraw/zinc/02/23/21/192022321.db2.gz BKCUYLXCJBMPDT-UHFFFAOYSA-N 1 3 216.329 -0.155 20 0 BBADHO CC[NH2+]CCNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000418315040 192022159 /nfs/dbraw/zinc/02/21/59/192022159.db2.gz GEDGMTHVSULFQY-WDEREUQCSA-N 1 3 240.351 -0.059 20 0 BBADHO C[NH2+]CCNC(=O)N(C)CCN1CCCC1 ZINC000418315096 192022757 /nfs/dbraw/zinc/02/27/57/192022757.db2.gz GHRWJHGIUJBVLN-UHFFFAOYSA-N 1 3 228.340 -0.057 20 0 BBADHO CN(C)CC(C)(C)NC(=O)NCCC[NH3+] ZINC000418315945 487910160 /nfs/dbraw/zinc/91/01/60/487910160.db2.gz WDPMOIWHZAKUPP-UHFFFAOYSA-N 1 3 216.329 -0.025 20 0 BBADHO CC[NH2+]CCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418316296 634249825 /nfs/dbraw/zinc/24/98/25/634249825.db2.gz JOQYKYOMNZPCOM-NXEZZACHSA-N 1 3 228.340 -0.012 20 0 BBADHO CC[NH2+]CCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418316297 411377274 /nfs/dbraw/zinc/37/72/74/411377274.db2.gz JOQYKYOMNZPCOM-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO CC[NH2+]CCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418316299 411377248 /nfs/dbraw/zinc/37/72/48/411377248.db2.gz JOQYKYOMNZPCOM-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO CC[NH2+]CCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418316300 411377269 /nfs/dbraw/zinc/37/72/69/411377269.db2.gz JOQYKYOMNZPCOM-ZJUUUORDSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)NCCNc1ccncc1 ZINC000418317800 387819624 /nfs/dbraw/zinc/81/96/24/387819624.db2.gz BDAZAWQAUUSEBL-UHFFFAOYSA-N 1 3 237.307 -0.566 20 0 BBADHO C[NH2+]CCNC(=O)N(C)CCN(C)C1CC1 ZINC000418318868 192023510 /nfs/dbraw/zinc/02/35/10/192023510.db2.gz CGECMHSNXZOPHS-UHFFFAOYSA-N 1 3 228.340 -0.059 20 0 BBADHO CC[NH2+]CCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418320684 192024021 /nfs/dbraw/zinc/02/40/21/192024021.db2.gz WEGFIPBASLGKFE-NXEZZACHSA-N 1 3 228.340 -0.012 20 0 BBADHO CC[NH2+]CCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418320685 192024294 /nfs/dbraw/zinc/02/42/94/192024294.db2.gz WEGFIPBASLGKFE-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO CC[NH2+]CCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418320686 192024353 /nfs/dbraw/zinc/02/43/53/192024353.db2.gz WEGFIPBASLGKFE-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO CC[NH2+]CCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418320687 192023986 /nfs/dbraw/zinc/02/39/86/192023986.db2.gz WEGFIPBASLGKFE-ZJUUUORDSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418325607 387828905 /nfs/dbraw/zinc/82/89/05/387828905.db2.gz JGEXHEMGJDOENO-JTQLQIEISA-N 1 3 228.340 -0.059 20 0 BBADHO C[NH2+]CCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418325610 387828932 /nfs/dbraw/zinc/82/89/32/387828932.db2.gz JGEXHEMGJDOENO-SNVBAGLBSA-N 1 3 228.340 -0.059 20 0 BBADHO CC[NH2+]CCNC(=O)NCCN(CC)CCO ZINC000418331584 192025526 /nfs/dbraw/zinc/02/55/26/192025526.db2.gz XQYDRUOUERKMKR-UHFFFAOYSA-N 1 3 246.355 -0.791 20 0 BBADHO CCN1CCCN(C(=O)NCC[NH2+]C)CC1 ZINC000418333046 192025484 /nfs/dbraw/zinc/02/54/84/192025484.db2.gz RJLLESOXDHSNOW-UHFFFAOYSA-N 1 3 228.340 -0.057 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000418380051 192030499 /nfs/dbraw/zinc/03/04/99/192030499.db2.gz LATAPNPPJRJHEH-AEJSXWLSSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@@H]1NCCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H]1C ZINC000418380055 192030758 /nfs/dbraw/zinc/03/07/58/192030758.db2.gz LATAPNPPJRJHEH-GUBZILKMSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418380057 192030738 /nfs/dbraw/zinc/03/07/38/192030738.db2.gz LATAPNPPJRJHEH-IVZWLZJFSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@@H]1NCCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000418380060 192030372 /nfs/dbraw/zinc/03/03/72/192030372.db2.gz LATAPNPPJRJHEH-LPEHRKFASA-N 1 3 226.324 -0.260 20 0 BBADHO CN(C)CCN(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418382736 192030420 /nfs/dbraw/zinc/03/04/20/192030420.db2.gz YXZDHPVDIHOPBC-JTQLQIEISA-N 1 3 228.340 -0.059 20 0 BBADHO CN(C)CCN(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418382738 192030683 /nfs/dbraw/zinc/03/06/83/192030683.db2.gz YXZDHPVDIHOPBC-SNVBAGLBSA-N 1 3 228.340 -0.059 20 0 BBADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[NH2+]C1 ZINC000418382793 192030438 /nfs/dbraw/zinc/03/04/38/192030438.db2.gz MYOIWALMSOVQOT-LLVKDONJSA-N 1 3 249.318 -0.424 20 0 BBADHO O=C(NCCNc1ccncc1)N[C@H]1CC[NH2+]C1 ZINC000418382794 192030339 /nfs/dbraw/zinc/03/03/39/192030339.db2.gz MYOIWALMSOVQOT-NSHDSACASA-N 1 3 249.318 -0.424 20 0 BBADHO C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000418385282 192031343 /nfs/dbraw/zinc/03/13/43/192031343.db2.gz PDMXFGPBXKLQSY-BBBLOLIVSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000418385283 192031626 /nfs/dbraw/zinc/03/16/26/192031626.db2.gz PDMXFGPBXKLQSY-KXUCPTDWSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000418385285 192031534 /nfs/dbraw/zinc/03/15/34/192031534.db2.gz PDMXFGPBXKLQSY-OPRDCNLKSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000418385286 192031580 /nfs/dbraw/zinc/03/15/80/192031580.db2.gz PDMXFGPBXKLQSY-UTLUCORTSA-N 1 3 226.324 -0.260 20 0 BBADHO CN(C)CCN(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418385571 192031464 /nfs/dbraw/zinc/03/14/64/192031464.db2.gz QFZYSLNICPRRIE-JTQLQIEISA-N 1 3 228.340 -0.059 20 0 BBADHO CN(C)CCN(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418385572 192031607 /nfs/dbraw/zinc/03/16/07/192031607.db2.gz QFZYSLNICPRRIE-SNVBAGLBSA-N 1 3 228.340 -0.059 20 0 BBADHO CN(C)CC(C)(C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418391976 192032608 /nfs/dbraw/zinc/03/26/08/192032608.db2.gz VZCXZTKDKDOYCB-SECBINFHSA-N 1 3 228.340 -0.012 20 0 BBADHO CN(C)CC(C)(C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418391977 192032372 /nfs/dbraw/zinc/03/23/72/192032372.db2.gz VZCXZTKDKDOYCB-VIFPVBQESA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)NCCN(C)C ZINC000418392894 192032191 /nfs/dbraw/zinc/03/21/91/192032191.db2.gz QEVXKLQVCUOCFW-SECBINFHSA-N 1 3 216.329 -0.297 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)NCCN(C)C ZINC000418392896 192032339 /nfs/dbraw/zinc/03/23/39/192032339.db2.gz QEVXKLQVCUOCFW-VIFPVBQESA-N 1 3 216.329 -0.297 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)NCCN(C)C ZINC000418393480 192032590 /nfs/dbraw/zinc/03/25/90/192032590.db2.gz XZFUVFVPXKMETP-SECBINFHSA-N 1 3 216.329 -0.170 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCN(C)C ZINC000418393481 192032252 /nfs/dbraw/zinc/03/22/52/192032252.db2.gz XZFUVFVPXKMETP-VIFPVBQESA-N 1 3 216.329 -0.170 20 0 BBADHO COCCNCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418403333 192033575 /nfs/dbraw/zinc/03/35/75/192033575.db2.gz JIUZMSCUHVCVQL-JTQLQIEISA-N 1 3 246.355 -0.495 20 0 BBADHO COCCNCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418403334 192033624 /nfs/dbraw/zinc/03/36/24/192033624.db2.gz JIUZMSCUHVCVQL-SNVBAGLBSA-N 1 3 246.355 -0.495 20 0 BBADHO CCC[NH2+]CCNC(=O)NCCN(C)C ZINC000418468241 192038716 /nfs/dbraw/zinc/03/87/16/192038716.db2.gz HAQPWGOHDOWMBF-UHFFFAOYSA-N 1 3 216.329 -0.153 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418480035 192040423 /nfs/dbraw/zinc/04/04/23/192040423.db2.gz BZZXGCSSJBAHLU-BBBLOLIVSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418480036 192040118 /nfs/dbraw/zinc/04/01/18/192040118.db2.gz BZZXGCSSJBAHLU-KXUCPTDWSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418480037 192040130 /nfs/dbraw/zinc/04/01/30/192040130.db2.gz BZZXGCSSJBAHLU-OPRDCNLKSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418480039 192040506 /nfs/dbraw/zinc/04/05/06/192040506.db2.gz BZZXGCSSJBAHLU-UTLUCORTSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418491425 192041700 /nfs/dbraw/zinc/04/17/00/192041700.db2.gz OFMYHSCDEUPDED-BBBLOLIVSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418491427 192041935 /nfs/dbraw/zinc/04/19/35/192041935.db2.gz OFMYHSCDEUPDED-KXUCPTDWSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418491428 192041591 /nfs/dbraw/zinc/04/15/91/192041591.db2.gz OFMYHSCDEUPDED-OPRDCNLKSA-N 1 3 228.340 -0.027 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418491429 192041462 /nfs/dbraw/zinc/04/14/62/192041462.db2.gz OFMYHSCDEUPDED-UTLUCORTSA-N 1 3 228.340 -0.027 20 0 BBADHO CCC[NH2+]CCNC(=O)N1CCCNCC1 ZINC000418494186 192042131 /nfs/dbraw/zinc/04/21/31/192042131.db2.gz ZUXGVVSSGZENCZ-UHFFFAOYSA-N 1 3 228.340 -0.009 20 0 BBADHO C[C@H](C[NH3+])NC(=O)NCCNc1ccncc1 ZINC000418507848 192044453 /nfs/dbraw/zinc/04/44/53/192044453.db2.gz CGJIKRGTWQACQO-SECBINFHSA-N 1 3 237.307 -0.438 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418513411 192045415 /nfs/dbraw/zinc/04/54/15/192045415.db2.gz MYRQELHQKRJUGL-HLTSFMKQSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418513418 192045438 /nfs/dbraw/zinc/04/54/38/192045438.db2.gz MYRQELHQKRJUGL-HRDYMLBCSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418513419 192045677 /nfs/dbraw/zinc/04/56/77/192045677.db2.gz MYRQELHQKRJUGL-IWSPIJDZSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418513420 192045235 /nfs/dbraw/zinc/04/52/35/192045235.db2.gz MYRQELHQKRJUGL-VGMNWLOBSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418517926 192046415 /nfs/dbraw/zinc/04/64/15/192046415.db2.gz WEINRWBMBSSDHE-HLTSFMKQSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418517927 192046316 /nfs/dbraw/zinc/04/63/16/192046316.db2.gz WEINRWBMBSSDHE-HRDYMLBCSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418517928 192046476 /nfs/dbraw/zinc/04/64/76/192046476.db2.gz WEINRWBMBSSDHE-IWSPIJDZSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418517929 192046285 /nfs/dbraw/zinc/04/62/85/192046285.db2.gz WEINRWBMBSSDHE-VGMNWLOBSA-N 1 3 214.313 -0.275 20 0 BBADHO CN(C)CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418545338 192043518 /nfs/dbraw/zinc/04/35/18/192043518.db2.gz FIEMNVYLUGEKSO-SNVBAGLBSA-N 1 3 228.340 -0.011 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)NCCNc1ccncc1 ZINC000418558978 192050134 /nfs/dbraw/zinc/05/01/34/192050134.db2.gz CGJIKRGTWQACQO-VIFPVBQESA-N 1 3 237.307 -0.438 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418566418 192051558 /nfs/dbraw/zinc/05/15/58/192051558.db2.gz MYRQELHQKRJUGL-CIUDSAMLSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418566419 192051671 /nfs/dbraw/zinc/05/16/71/192051671.db2.gz MYRQELHQKRJUGL-DJLDLDEBSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418566420 192051418 /nfs/dbraw/zinc/05/14/18/192051418.db2.gz MYRQELHQKRJUGL-XHNCKOQMSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418566421 192051432 /nfs/dbraw/zinc/05/14/32/192051432.db2.gz MYRQELHQKRJUGL-YIZRAAEISA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1CCNC(C)(C)C1 ZINC000418571299 192052275 /nfs/dbraw/zinc/05/22/75/192052275.db2.gz RKYWAZQMABLHBR-QMMMGPOBSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418575065 192052290 /nfs/dbraw/zinc/05/22/90/192052290.db2.gz WEINRWBMBSSDHE-CIUDSAMLSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418575067 192052344 /nfs/dbraw/zinc/05/23/44/192052344.db2.gz WEINRWBMBSSDHE-DJLDLDEBSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418575068 192052480 /nfs/dbraw/zinc/05/24/80/192052480.db2.gz WEINRWBMBSSDHE-XHNCKOQMSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418575070 192052332 /nfs/dbraw/zinc/05/23/32/192052332.db2.gz WEINRWBMBSSDHE-YIZRAAEISA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCN(C)C ZINC000418575207 192052467 /nfs/dbraw/zinc/05/24/67/192052467.db2.gz MYGLXIONMDIXBK-NXEZZACHSA-N 1 3 228.340 -0.155 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCN(C)C ZINC000418575209 192052076 /nfs/dbraw/zinc/05/20/76/192052076.db2.gz MYGLXIONMDIXBK-UWVGGRQHSA-N 1 3 228.340 -0.155 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCN(C)C ZINC000418575211 192052208 /nfs/dbraw/zinc/05/22/08/192052208.db2.gz MYGLXIONMDIXBK-VHSXEESVSA-N 1 3 228.340 -0.155 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCN(C)C ZINC000418575212 192052551 /nfs/dbraw/zinc/05/25/51/192052551.db2.gz MYGLXIONMDIXBK-ZJUUUORDSA-N 1 3 228.340 -0.155 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)NCCN(C)C ZINC000418595872 192055292 /nfs/dbraw/zinc/05/52/92/192055292.db2.gz XJPUQXZAIXIJKQ-SECBINFHSA-N 1 3 216.329 -0.155 20 0 BBADHO CN(C)[C@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000418677246 192060090 /nfs/dbraw/zinc/06/00/90/192060090.db2.gz UMSYUKGRZGRMBC-UKKRHICBSA-N 1 3 238.335 -0.450 20 0 BBADHO CN(C)[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000418677248 192059915 /nfs/dbraw/zinc/05/99/15/192059915.db2.gz UMSYUKGRZGRMBC-ZNSHCXBVSA-N 1 3 238.335 -0.450 20 0 BBADHO CN(C)CC(C)(C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418683574 192060477 /nfs/dbraw/zinc/06/04/77/192060477.db2.gz BMPVWCVXLAKXOX-MYJAWHEDSA-N 1 3 240.351 -0.156 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)NCCN(CC)CCO ZINC000418727624 192065325 /nfs/dbraw/zinc/06/53/25/192065325.db2.gz MNHYUTPKAPYKBS-JTQLQIEISA-N 1 3 246.355 -0.663 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)NCCN(CC)CCO ZINC000418727625 192065651 /nfs/dbraw/zinc/06/56/51/192065651.db2.gz MNHYUTPKAPYKBS-SNVBAGLBSA-N 1 3 246.355 -0.663 20 0 BBADHO CCS(=O)(=O)NCCCN(C)C1CC([NH3+])C1 ZINC000420328634 192229869 /nfs/dbraw/zinc/22/98/69/192229869.db2.gz HYGVASROIIVWIM-UHFFFAOYSA-N 1 3 249.380 -0.263 20 0 BBADHO CN(CCC(=O)N1CCNCC1)C1CC([NH3+])C1 ZINC000420340805 192215954 /nfs/dbraw/zinc/21/59/54/192215954.db2.gz ULRZMPUSCNHZBT-UHFFFAOYSA-N 1 3 240.351 -0.770 20 0 BBADHO COC(=O)[C@H](C)CN(C)CCOCC[NH3+] ZINC000420353394 192217905 /nfs/dbraw/zinc/21/79/05/192217905.db2.gz BQQDMGVWZBSGHM-SECBINFHSA-N 1 3 218.297 -0.297 20 0 BBADHO COC(=O)[C@@H](C)CN(C)CCOCC[NH3+] ZINC000420353398 192218316 /nfs/dbraw/zinc/21/83/16/192218316.db2.gz BQQDMGVWZBSGHM-VIFPVBQESA-N 1 3 218.297 -0.297 20 0 BBADHO COC(=O)[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000420353680 192218140 /nfs/dbraw/zinc/21/81/40/192218140.db2.gz BUBXIBWSGVDDKR-JTQLQIEISA-N 1 3 230.308 -0.153 20 0 BBADHO COC(=O)[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000420353681 192217551 /nfs/dbraw/zinc/21/75/51/192217551.db2.gz BUBXIBWSGVDDKR-SNVBAGLBSA-N 1 3 230.308 -0.153 20 0 BBADHO COC(=O)C[C@@H]1CCCN1CCOCC[NH3+] ZINC000420368936 192226279 /nfs/dbraw/zinc/22/62/79/192226279.db2.gz XACFQOCIYZAYBQ-JTQLQIEISA-N 1 3 230.308 -0.011 20 0 BBADHO COC(=O)C[C@H]1CCCN1CCOCC[NH3+] ZINC000420368937 192226056 /nfs/dbraw/zinc/22/60/56/192226056.db2.gz XACFQOCIYZAYBQ-SNVBAGLBSA-N 1 3 230.308 -0.011 20 0 BBADHO CC[NH2+]CCN[C@@H]1CCN(CCOC)C1 ZINC000423237712 388021582 /nfs/dbraw/zinc/02/15/82/388021582.db2.gz DPFHFBXOXXYQEU-LLVKDONJSA-N 1 3 215.341 -0.094 20 0 BBADHO CC[NH2+]CCN[C@H]1CCN(CCOC)C1 ZINC000423237714 388020492 /nfs/dbraw/zinc/02/04/92/388020492.db2.gz DPFHFBXOXXYQEU-NSHDSACASA-N 1 3 215.341 -0.094 20 0 BBADHO COCCN(C)CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423339343 387187795 /nfs/dbraw/zinc/18/77/95/387187795.db2.gz WKTGOVGAPIFKET-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO COCCNCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423345127 387196142 /nfs/dbraw/zinc/19/61/42/387196142.db2.gz XLZOLVWEJAXWPH-GHMZBOCLSA-N 1 3 215.341 -0.048 20 0 BBADHO COCCNCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423345143 387194825 /nfs/dbraw/zinc/19/48/25/387194825.db2.gz XLZOLVWEJAXWPH-MNOVXSKESA-N 1 3 215.341 -0.048 20 0 BBADHO COCCNCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423345145 387196111 /nfs/dbraw/zinc/19/61/11/387196111.db2.gz XLZOLVWEJAXWPH-QWRGUYRKSA-N 1 3 215.341 -0.048 20 0 BBADHO COCCNCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423345146 387194157 /nfs/dbraw/zinc/19/41/57/387194157.db2.gz XLZOLVWEJAXWPH-WDEREUQCSA-N 1 3 215.341 -0.048 20 0 BBADHO COCCCN(C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000423429288 387253887 /nfs/dbraw/zinc/25/38/87/387253887.db2.gz SHRGNIDYGCGOPG-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO CCC[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)N(C)C ZINC000423536209 387362233 /nfs/dbraw/zinc/36/22/33/387362233.db2.gz HCHZVKDYGVPKTN-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CCC[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)N(C)C ZINC000423536212 387361595 /nfs/dbraw/zinc/36/15/95/387361595.db2.gz HCHZVKDYGVPKTN-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CCC[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N(C)C ZINC000423536213 387361172 /nfs/dbraw/zinc/36/11/72/387361172.db2.gz HCHZVKDYGVPKTN-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CCC[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N(C)C ZINC000423536214 387361104 /nfs/dbraw/zinc/36/11/04/387361104.db2.gz HCHZVKDYGVPKTN-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C12CCCN1CCC2 ZINC000423661664 387391144 /nfs/dbraw/zinc/39/11/44/387391144.db2.gz COTULOMIZNNBSH-URLYPYJESA-N 1 3 235.331 -0.051 20 0 BBADHO CC1(C)CN(C(=O)COC2C[NH2+]C2)CCN1 ZINC000423705160 387401531 /nfs/dbraw/zinc/40/15/31/387401531.db2.gz GVYQMMSSHSXDJJ-UHFFFAOYSA-N 1 3 227.308 -0.815 20 0 BBADHO CC1(C)CN(C(=O)CCOC2C[NH2+]C2)CCN1 ZINC000423708824 387401238 /nfs/dbraw/zinc/40/12/38/387401238.db2.gz NADZPVXJQMMKSL-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCN(CCN(C)C)C(=O)CCC[NH3+] ZINC000423734266 387405717 /nfs/dbraw/zinc/40/57/17/387405717.db2.gz ATRPUTCHGMGFMD-UHFFFAOYSA-N 1 3 231.340 -0.238 20 0 BBADHO COCCN(CCN(C)C)C(=O)C[C@H](C)[NH3+] ZINC000423735023 192826703 /nfs/dbraw/zinc/82/67/03/192826703.db2.gz BVKSMYIAKOBXTE-JTQLQIEISA-N 1 3 231.340 -0.240 20 0 BBADHO COCCN(CCN(C)C)C(=O)C[C@@H](C)[NH3+] ZINC000423735380 387404248 /nfs/dbraw/zinc/40/42/48/387404248.db2.gz BVKSMYIAKOBXTE-SNVBAGLBSA-N 1 3 231.340 -0.240 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)N(CCOC)CCN(C)C ZINC000423736540 387405762 /nfs/dbraw/zinc/40/57/62/387405762.db2.gz CXXFOSBDIMLIBK-LLVKDONJSA-N 1 3 245.367 -0.122 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)N(CCOC)CCN(C)C ZINC000423736556 387405231 /nfs/dbraw/zinc/40/52/31/387405231.db2.gz CXXFOSBDIMLIBK-NSHDSACASA-N 1 3 245.367 -0.122 20 0 BBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CC[NH3+] ZINC000423740120 192826575 /nfs/dbraw/zinc/82/65/75/192826575.db2.gz GPDYAJPOXJUGCR-LLVKDONJSA-N 1 3 243.351 -0.096 20 0 BBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CC[NH3+] ZINC000423740122 387404343 /nfs/dbraw/zinc/40/43/43/387404343.db2.gz GPDYAJPOXJUGCR-NSHDSACASA-N 1 3 243.351 -0.096 20 0 BBADHO C[NH2+]CCC(=O)N(CCOC)CCN(C)C ZINC000423744331 387407424 /nfs/dbraw/zinc/40/74/24/387407424.db2.gz NVBXQKKWMIFEOX-UHFFFAOYSA-N 1 3 231.340 -0.368 20 0 BBADHO COCCN(CCN(C)C)C(=O)[C@@H](C)C[NH3+] ZINC000423745219 387406628 /nfs/dbraw/zinc/40/66/28/387406628.db2.gz PDHZBRPXYNBKLQ-JTQLQIEISA-N 1 3 231.340 -0.382 20 0 BBADHO COCCN(CCN(C)C)C(=O)[C@H](C)C[NH3+] ZINC000423745220 387406907 /nfs/dbraw/zinc/40/69/07/387406907.db2.gz PDHZBRPXYNBKLQ-SNVBAGLBSA-N 1 3 231.340 -0.382 20 0 BBADHO COCCN(CCN(C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000423747881 387410176 /nfs/dbraw/zinc/41/01/76/387410176.db2.gz SZXGOIKWPMBLCO-SNVBAGLBSA-N 1 3 229.324 -0.615 20 0 BBADHO C[NH2+]CC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000423748218 192827376 /nfs/dbraw/zinc/82/73/76/192827376.db2.gz QJFKXNMRCQQSFX-LLVKDONJSA-N 1 3 243.351 -0.225 20 0 BBADHO C[NH2+]CC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000423748219 387410015 /nfs/dbraw/zinc/41/00/15/387410015.db2.gz QJFKXNMRCQQSFX-NSHDSACASA-N 1 3 243.351 -0.225 20 0 BBADHO COCCN(CCN(C)C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423748463 387409519 /nfs/dbraw/zinc/40/95/19/387409519.db2.gz UMMXVZLWUYSVAL-LLVKDONJSA-N 1 3 243.351 -0.368 20 0 BBADHO COCCN(CCN(C)C)C(=O)[C@H]1CC[NH2+]C1 ZINC000423748464 387409348 /nfs/dbraw/zinc/40/93/48/387409348.db2.gz UMMXVZLWUYSVAL-NSHDSACASA-N 1 3 243.351 -0.368 20 0 BBADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CN ZINC000423753654 387411470 /nfs/dbraw/zinc/41/14/70/387411470.db2.gz XMMNRKGDHWIIES-JTQLQIEISA-N 1 3 229.324 -0.486 20 0 BBADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN ZINC000423753655 387411461 /nfs/dbraw/zinc/41/14/61/387411461.db2.gz XMMNRKGDHWIIES-SNVBAGLBSA-N 1 3 229.324 -0.486 20 0 BBADHO COCCNCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423837035 387435380 /nfs/dbraw/zinc/43/53/80/387435380.db2.gz ANEQZSYXXUJPIP-UHFFFAOYSA-N 1 3 243.351 -0.225 20 0 BBADHO COCCNCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423837035 387435376 /nfs/dbraw/zinc/43/53/76/387435376.db2.gz ANEQZSYXXUJPIP-UHFFFAOYSA-N 1 3 243.351 -0.225 20 0 BBADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[NH2+]1 ZINC000423855050 387438326 /nfs/dbraw/zinc/43/83/26/387438326.db2.gz WLUNJVHIMCHXOG-SNVBAGLBSA-N 1 3 211.309 -0.099 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)CCOC1CNC1 ZINC000423950663 387456867 /nfs/dbraw/zinc/45/68/67/387456867.db2.gz INWXZOWWSRXMKU-JTQLQIEISA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCOC1CNC1 ZINC000423950665 192849351 /nfs/dbraw/zinc/84/93/51/192849351.db2.gz INWXZOWWSRXMKU-SNVBAGLBSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@H](C(=O)N(C)CC[NH3+])N(C)C ZINC000424002666 387464414 /nfs/dbraw/zinc/46/44/14/387464414.db2.gz JIKRCTBDDQYWGH-SECBINFHSA-N 1 3 201.314 -0.010 20 0 BBADHO CC(C)[C@@H](C(=O)N(C)CC[NH3+])N(C)C ZINC000424002677 192852576 /nfs/dbraw/zinc/85/25/76/192852576.db2.gz JIKRCTBDDQYWGH-VIFPVBQESA-N 1 3 201.314 -0.010 20 0 BBADHO C[NH2+]CCCN(C)C(=O)C(N)C(F)(F)F ZINC000424022300 387468719 /nfs/dbraw/zinc/46/87/19/387468719.db2.gz STJLPUAAHDCQML-LURJTMIESA-N 1 3 227.230 -0.056 20 0 BBADHO C[NH2+]CCCN(C)C(=O)C(N)C(F)(F)F ZINC000424022320 387469252 /nfs/dbraw/zinc/46/92/52/387469252.db2.gz STJLPUAAHDCQML-ZCFIWIBFSA-N 1 3 227.230 -0.056 20 0 BBADHO CCN(CC)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042205 387467892 /nfs/dbraw/zinc/46/78/92/387467892.db2.gz ALDWDKJKRAAUEK-WDEREUQCSA-N 1 3 241.335 -0.473 20 0 BBADHO CCCN(C)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042229 387469033 /nfs/dbraw/zinc/46/90/33/387469033.db2.gz AWRVNABTQRQZKE-WDEREUQCSA-N 1 3 241.335 -0.473 20 0 BBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424045221 387470930 /nfs/dbraw/zinc/47/09/30/387470930.db2.gz MMNAUIUNVUVVED-WDEREUQCSA-N 1 3 241.335 -0.474 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCOC1CNC1 ZINC000424047728 387469796 /nfs/dbraw/zinc/46/97/96/387469796.db2.gz VZGQZOCIKAEBRK-ONGXEEELSA-N 1 3 241.335 -0.378 20 0 BBADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424055807 387472132 /nfs/dbraw/zinc/47/21/32/387472132.db2.gz FSJBTWVINQYKCD-AEJSXWLSSA-N 1 3 211.309 -0.208 20 0 BBADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424055808 387472956 /nfs/dbraw/zinc/47/29/56/387472956.db2.gz FSJBTWVINQYKCD-BBBLOLIVSA-N 1 3 211.309 -0.208 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424055831 387472746 /nfs/dbraw/zinc/47/27/46/387472746.db2.gz GAYVNSAWYGYGFT-OLFALWBMSA-N 1 3 209.293 -0.267 20 0 BBADHO C[C@H](NC(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCC[NH2+]C1 ZINC000424059661 387473955 /nfs/dbraw/zinc/47/39/55/387473955.db2.gz OPZAUHARPYMCGG-JLIMGVALSA-N 1 3 211.309 -0.162 20 0 BBADHO C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCC[NH2+]C1 ZINC000424059666 387474537 /nfs/dbraw/zinc/47/45/37/387474537.db2.gz OPZAUHARPYMCGG-KYXWUPHJSA-N 1 3 211.309 -0.162 20 0 BBADHO C[C@H](NC(=O)[C@@H]1C[C@@H]1N)[C@H]1CCC[NH2+]C1 ZINC000424059669 387474819 /nfs/dbraw/zinc/47/48/19/387474819.db2.gz OPZAUHARPYMCGG-QEYWKRMJSA-N 1 3 211.309 -0.162 20 0 BBADHO C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)[C@H]1CCC[NH2+]C1 ZINC000424059670 387474522 /nfs/dbraw/zinc/47/45/22/387474522.db2.gz OPZAUHARPYMCGG-RGOKHQFPSA-N 1 3 211.309 -0.162 20 0 BBADHO CCCN(C(=O)[C@@H]1C[C@@H]1N)[C@H]1CC[NH2+]C1 ZINC000424071431 387476643 /nfs/dbraw/zinc/47/66/43/387476643.db2.gz BLMDOJVJYGLDED-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CCCN(C(=O)[C@@H]1C[C@@H]1N)[C@@H]1CC[NH2+]C1 ZINC000424071432 387475668 /nfs/dbraw/zinc/47/56/68/387475668.db2.gz BLMDOJVJYGLDED-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000424074794 387478633 /nfs/dbraw/zinc/47/86/33/387478633.db2.gz IFJVHCVYPSEJNP-DOLQZWNJSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000424074795 387478292 /nfs/dbraw/zinc/47/82/92/387478292.db2.gz IFJVHCVYPSEJNP-IMSYWVGJSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000424074796 387478776 /nfs/dbraw/zinc/47/87/76/387478776.db2.gz IFJVHCVYPSEJNP-JXUBOQSCSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000424074797 387478068 /nfs/dbraw/zinc/47/80/68/387478068.db2.gz IFJVHCVYPSEJNP-QCLAVDOMSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000424075585 387478276 /nfs/dbraw/zinc/47/82/76/387478276.db2.gz JTQDQFSXTAFNGQ-MNOVXSKESA-N 1 3 241.335 -0.310 20 0 BBADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424075595 387478624 /nfs/dbraw/zinc/47/86/24/387478624.db2.gz JUKUTPYBTYFWEZ-QNSHHTMESA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424075596 387478734 /nfs/dbraw/zinc/47/87/34/387478734.db2.gz JUKUTPYBTYFWEZ-SFGNSQDASA-N 1 3 211.309 -0.081 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000424077094 387479945 /nfs/dbraw/zinc/47/99/45/387479945.db2.gz NNBQQNLWUVPGKX-KXUCPTDWSA-N 1 3 211.309 -0.161 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000424077095 387479755 /nfs/dbraw/zinc/47/97/55/387479755.db2.gz NNBQQNLWUVPGKX-LPEHRKFASA-N 1 3 211.309 -0.161 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424079298 387480750 /nfs/dbraw/zinc/48/07/50/387480750.db2.gz RCWIRNAUWBDEQD-JLIMGVALSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424079299 387480693 /nfs/dbraw/zinc/48/06/93/387480693.db2.gz RCWIRNAUWBDEQD-KYXWUPHJSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424079300 387480539 /nfs/dbraw/zinc/48/05/39/387480539.db2.gz RCWIRNAUWBDEQD-QEYWKRMJSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424079301 387480799 /nfs/dbraw/zinc/48/07/99/387480799.db2.gz RCWIRNAUWBDEQD-RGOKHQFPSA-N 1 3 211.309 -0.081 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424080666 387480142 /nfs/dbraw/zinc/48/01/42/387480142.db2.gz TUFMVCKIZZVFPF-XFWSIPNHSA-N 1 3 209.293 -0.314 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000424134861 387649019 /nfs/dbraw/zinc/64/90/19/387649019.db2.gz OECNJRNDGGLPRH-WDEREUQCSA-N 1 3 241.335 -0.703 20 0 BBADHO CN(C)[C@@]1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCSC1 ZINC000424136545 387660165 /nfs/dbraw/zinc/66/01/65/387660165.db2.gz QVRLTCFVIKQWML-WCABBAIRSA-N 1 3 243.376 -0.113 20 0 BBADHO CN(C)[C@]1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCSC1 ZINC000424136547 387660878 /nfs/dbraw/zinc/66/08/78/387660878.db2.gz QVRLTCFVIKQWML-YWVKMMECSA-N 1 3 243.376 -0.113 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000424137009 387661824 /nfs/dbraw/zinc/66/18/24/387661824.db2.gz AKLFHQCQZMUBOW-IQJOONFLSA-N 1 3 209.293 -0.454 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000424137012 387662252 /nfs/dbraw/zinc/66/22/52/387662252.db2.gz AKLFHQCQZMUBOW-NGZCFLSTSA-N 1 3 209.293 -0.454 20 0 BBADHO COCCCN(C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424138542 387672519 /nfs/dbraw/zinc/67/25/19/387672519.db2.gz DEXCHPKUWBAZIR-ZJUUUORDSA-N 1 3 229.324 -0.582 20 0 BBADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424140234 387690247 /nfs/dbraw/zinc/69/02/47/387690247.db2.gz FBJGVFKIGDIUFN-MNOVXSKESA-N 1 3 240.351 -0.913 20 0 BBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140862 387700802 /nfs/dbraw/zinc/70/08/02/387700802.db2.gz FUORHPYVIBWTQQ-CDEVMZEPSA-N 1 3 223.320 -0.068 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140863 387699947 /nfs/dbraw/zinc/69/99/47/387699947.db2.gz FUORHPYVIBWTQQ-CZULRBLNSA-N 1 3 223.320 -0.068 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140864 387700629 /nfs/dbraw/zinc/70/06/29/387700629.db2.gz FUORHPYVIBWTQQ-SNXWAXQRSA-N 1 3 223.320 -0.068 20 0 BBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140865 387700906 /nfs/dbraw/zinc/70/09/06/387700906.db2.gz FUORHPYVIBWTQQ-VFRUTBLMSA-N 1 3 223.320 -0.068 20 0 BBADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000424143460 387753282 /nfs/dbraw/zinc/75/32/82/387753282.db2.gz JUWOFDLLZNGSIN-JLIMGVALSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000424143461 387753371 /nfs/dbraw/zinc/75/33/71/387753371.db2.gz JUWOFDLLZNGSIN-KYXWUPHJSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000424143462 387752630 /nfs/dbraw/zinc/75/26/30/387752630.db2.gz JUWOFDLLZNGSIN-QEYWKRMJSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000424143463 387752912 /nfs/dbraw/zinc/75/29/12/387752912.db2.gz JUWOFDLLZNGSIN-RGOKHQFPSA-N 1 3 211.309 -0.068 20 0 BBADHO COCCN1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424143808 387754338 /nfs/dbraw/zinc/75/43/38/387754338.db2.gz GGQGEVZPGCKCJI-MNOVXSKESA-N 1 3 241.335 -0.439 20 0 BBADHO CN(C(=O)[C@@H]1C[C@@H]1N)[C@H]1CCC[NH2+]CC1 ZINC000424154304 387815156 /nfs/dbraw/zinc/81/51/56/387815156.db2.gz JNSHYADWIOEWOC-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCC[NH2+]CC1 ZINC000424154305 387816311 /nfs/dbraw/zinc/81/63/11/387816311.db2.gz JNSHYADWIOEWOC-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO CCN(CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C1CC1 ZINC000424155629 387820222 /nfs/dbraw/zinc/82/02/22/387820222.db2.gz NEOFLFWZFJNQAL-ZJUUUORDSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C)CCn1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])n1 ZINC000424156238 412176060 /nfs/dbraw/zinc/17/60/60/412176060.db2.gz OFAOPLMGPBVBMA-BDAKNGLRSA-N 1 3 237.307 -0.270 20 0 BBADHO C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2N)CCC[NH2+]C1 ZINC000424157119 387826365 /nfs/dbraw/zinc/82/63/65/387826365.db2.gz QREXGUUNXGHSCZ-WCABBAIRSA-N 1 3 211.309 -0.161 20 0 BBADHO C[C@]1(CNC(=O)[C@@H]2C[C@@H]2N)CCC[NH2+]C1 ZINC000424157121 387827604 /nfs/dbraw/zinc/82/76/04/387827604.db2.gz QREXGUUNXGHSCZ-YWVKMMECSA-N 1 3 211.309 -0.161 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424158143 387833504 /nfs/dbraw/zinc/83/35/04/387833504.db2.gz QPRXBPPJSPXHQM-AXFHLTTASA-N 1 3 241.335 -0.439 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424158145 387833338 /nfs/dbraw/zinc/83/33/38/387833338.db2.gz QPRXBPPJSPXHQM-MXWKQRLJSA-N 1 3 241.335 -0.439 20 0 BBADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424158460 387835136 /nfs/dbraw/zinc/83/51/36/387835136.db2.gz SUFMIHBPLPOZRY-MNOVXSKESA-N 1 3 240.351 -0.913 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000424159957 387839537 /nfs/dbraw/zinc/83/95/37/387839537.db2.gz WJWABTUWLHNSDC-FBDQPXRJSA-N 1 3 223.320 -0.081 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000424159960 387839907 /nfs/dbraw/zinc/83/99/07/387839907.db2.gz WJWABTUWLHNSDC-LADJIXMOSA-N 1 3 223.320 -0.081 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000424159963 387839764 /nfs/dbraw/zinc/83/97/64/387839764.db2.gz WJWABTUWLHNSDC-RCZSTQMZSA-N 1 3 223.320 -0.081 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000424159966 387839361 /nfs/dbraw/zinc/83/93/61/387839361.db2.gz WJWABTUWLHNSDC-ZKKRXERASA-N 1 3 223.320 -0.081 20 0 BBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1C[C@@H]1N ZINC000424160975 387841022 /nfs/dbraw/zinc/84/10/22/387841022.db2.gz BCDMVQOELAHJOO-GRDBIXFFSA-N 1 3 211.309 -0.164 20 0 BBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@@H]1C[C@@H]1N ZINC000424160980 387841449 /nfs/dbraw/zinc/84/14/49/387841449.db2.gz BCDMVQOELAHJOO-KGDYZURWSA-N 1 3 211.309 -0.164 20 0 BBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@@H]1C[C@@H]1N ZINC000424160982 387841371 /nfs/dbraw/zinc/84/13/71/387841371.db2.gz BCDMVQOELAHJOO-MQIGXGKASA-N 1 3 211.309 -0.164 20 0 BBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1C[C@@H]1N ZINC000424160984 387841046 /nfs/dbraw/zinc/84/10/46/387841046.db2.gz BCDMVQOELAHJOO-VFCFLDTKSA-N 1 3 211.309 -0.164 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000424161343 387840728 /nfs/dbraw/zinc/84/07/28/387840728.db2.gz YCIKUDABHZHJLJ-KXUCPTDWSA-N 1 3 209.293 -0.314 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000424161345 387841338 /nfs/dbraw/zinc/84/13/38/387841338.db2.gz YCIKUDABHZHJLJ-LPEHRKFASA-N 1 3 209.293 -0.314 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000424161403 387840259 /nfs/dbraw/zinc/84/02/59/387840259.db2.gz YHMYQLFLNAOZHE-JDDHQFAOSA-N 1 3 209.293 -0.471 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000424161404 387840847 /nfs/dbraw/zinc/84/08/47/387840847.db2.gz YHMYQLFLNAOZHE-RXKWGBCNSA-N 1 3 209.293 -0.471 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC000424161405 387841379 /nfs/dbraw/zinc/84/13/79/387841379.db2.gz YHMYQLFLNAOZHE-SOYHJAILSA-N 1 3 209.293 -0.471 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000424161406 387840709 /nfs/dbraw/zinc/84/07/09/387840709.db2.gz YHMYQLFLNAOZHE-SRQGCSHVSA-N 1 3 209.293 -0.471 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424161820 387844650 /nfs/dbraw/zinc/84/46/50/387844650.db2.gz WDNFZSAQEFSXJW-AEJSXWLSSA-N 1 3 227.308 -0.830 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424161822 387843969 /nfs/dbraw/zinc/84/39/69/387843969.db2.gz WDNFZSAQEFSXJW-BBBLOLIVSA-N 1 3 227.308 -0.830 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N(C)C1CC1 ZINC000424164261 387847810 /nfs/dbraw/zinc/84/78/10/387847810.db2.gz ZBFBNYNUERHWMW-QNSHHTMESA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N(C)C1CC1 ZINC000424164262 387848710 /nfs/dbraw/zinc/84/87/10/387848710.db2.gz ZBFBNYNUERHWMW-SFGNSQDASA-N 1 3 211.309 -0.068 20 0 BBADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424164575 387849036 /nfs/dbraw/zinc/84/90/36/387849036.db2.gz CLZITCQICDJVCS-ZJUUUORDSA-N 1 3 211.309 -0.114 20 0 BBADHO COC[C@]1(CNC(=O)[C@@H]2C[C@@H]2N)CCC[NH2+]1 ZINC000424169428 387865600 /nfs/dbraw/zinc/86/56/00/387865600.db2.gz JLSNXGKZOHYIRI-WCABBAIRSA-N 1 3 227.308 -0.782 20 0 BBADHO COC[C@@]1(CNC(=O)[C@@H]2C[C@@H]2N)CCC[NH2+]1 ZINC000424169430 200874974 /nfs/dbraw/zinc/87/49/74/200874974.db2.gz JLSNXGKZOHYIRI-YWVKMMECSA-N 1 3 227.308 -0.782 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000424170081 387861797 /nfs/dbraw/zinc/86/17/97/387861797.db2.gz KCWFYTVIKOIIOR-AATLWQCWSA-N 1 3 209.293 -0.599 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000424170083 387861485 /nfs/dbraw/zinc/86/14/85/387861485.db2.gz KCWFYTVIKOIIOR-DOLQZWNJSA-N 1 3 209.293 -0.599 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000424170085 387861745 /nfs/dbraw/zinc/86/17/45/387861745.db2.gz KCWFYTVIKOIIOR-QCLAVDOMSA-N 1 3 209.293 -0.599 20 0 BBADHO COCCN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424170420 387861125 /nfs/dbraw/zinc/86/11/25/387861125.db2.gz HYUHDLLMMXKZSY-ZJUUUORDSA-N 1 3 229.324 -0.630 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000424170486 387861872 /nfs/dbraw/zinc/86/18/72/387861872.db2.gz KCWFYTVIKOIIOR-XFWSIPNHSA-N 1 3 209.293 -0.599 20 0 BBADHO COCC1(CNC(=O)[C@@H]2C[C@@H]2N)CC[NH2+]CC1 ZINC000424170528 387861519 /nfs/dbraw/zinc/86/15/19/387861519.db2.gz KEYLVUHDHGERNV-ZJUUUORDSA-N 1 3 241.335 -0.534 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000424171145 387862901 /nfs/dbraw/zinc/86/29/01/387862901.db2.gz BYEXGPCKCCXAJN-RRKCRQDMSA-N 1 3 219.235 -0.553 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000424171149 387863478 /nfs/dbraw/zinc/86/34/78/387863478.db2.gz BYEXGPCKCCXAJN-XVMARJQXSA-N 1 3 219.235 -0.553 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000424172067 387865398 /nfs/dbraw/zinc/86/53/98/387865398.db2.gz LEFJWRWEMMNUGA-UKKRHICBSA-N 1 3 223.320 -0.162 20 0 BBADHO CC1(C)CN(C(=O)C2([NH3+])CCOCC2)CCN1 ZINC000424173515 387873522 /nfs/dbraw/zinc/87/35/22/387873522.db2.gz DYBFOLYRBUQESU-UHFFFAOYSA-N 1 3 241.335 -0.295 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@@H]2C1 ZINC000424174038 387873911 /nfs/dbraw/zinc/87/39/11/387873911.db2.gz NWXNWWMQYCNBDG-CHWFTXMASA-N 1 3 223.320 -0.114 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@H]2C1 ZINC000424174175 387866259 /nfs/dbraw/zinc/86/62/59/387866259.db2.gz NWXNWWMQYCNBDG-VLEAKVRGSA-N 1 3 223.320 -0.114 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@H]2C1 ZINC000424174184 387866437 /nfs/dbraw/zinc/86/64/37/387866437.db2.gz NWXNWWMQYCNBDG-ZNSHCXBVSA-N 1 3 223.320 -0.114 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@@H]2C1 ZINC000424174193 387867494 /nfs/dbraw/zinc/86/74/94/387867494.db2.gz NWXNWWMQYCNBDG-ZRUFSTJUSA-N 1 3 223.320 -0.114 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000424174604 387874529 /nfs/dbraw/zinc/87/45/29/387874529.db2.gz MUGQGKJGAICFPC-HOSYDEDBSA-N 1 3 223.320 -0.064 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000424174605 387875080 /nfs/dbraw/zinc/87/50/80/387875080.db2.gz MUGQGKJGAICFPC-UMNHJUIQSA-N 1 3 223.320 -0.064 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000424175158 387877754 /nfs/dbraw/zinc/87/77/54/387877754.db2.gz NMSQUCZKTNMIAG-AEJSXWLSSA-N 1 3 211.309 -0.079 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000424175159 387878015 /nfs/dbraw/zinc/87/80/15/387878015.db2.gz NMSQUCZKTNMIAG-BBBLOLIVSA-N 1 3 211.309 -0.079 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NC1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000424175226 387878592 /nfs/dbraw/zinc/87/85/92/387878592.db2.gz NTFZUXBNQPOZBZ-HXWVIOMKSA-N 1 3 223.320 -0.034 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000424177103 387888101 /nfs/dbraw/zinc/88/81/01/387888101.db2.gz PLWONDYEOYJYRR-NGJCXOISSA-N 1 3 207.224 -0.568 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000424177105 387887886 /nfs/dbraw/zinc/88/78/86/387887886.db2.gz PLWONDYEOYJYRR-SRQIZXRXSA-N 1 3 207.224 -0.568 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000424178699 200877098 /nfs/dbraw/zinc/87/70/98/200877098.db2.gz RUFFNZFJCVZLEU-AXTSPUMRSA-N 1 3 209.293 -0.456 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000424178702 387889467 /nfs/dbraw/zinc/88/94/67/387889467.db2.gz RUFFNZFJCVZLEU-QEYWKRMJSA-N 1 3 209.293 -0.456 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000424178705 200876911 /nfs/dbraw/zinc/87/69/11/200876911.db2.gz RUFFNZFJCVZLEU-RGOKHQFPSA-N 1 3 209.293 -0.456 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000424178708 387889700 /nfs/dbraw/zinc/88/97/00/387889700.db2.gz RUFFNZFJCVZLEU-UTINFBMNSA-N 1 3 209.293 -0.456 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000424180192 387891143 /nfs/dbraw/zinc/89/11/43/387891143.db2.gz VDPYMPCKAYTCSI-AATLWQCWSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000424180193 387891458 /nfs/dbraw/zinc/89/14/58/387891458.db2.gz VDPYMPCKAYTCSI-DOLQZWNJSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000424180194 387890689 /nfs/dbraw/zinc/89/06/89/387890689.db2.gz VDPYMPCKAYTCSI-QCLAVDOMSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000424180195 387890856 /nfs/dbraw/zinc/89/08/56/387890856.db2.gz VDPYMPCKAYTCSI-XFWSIPNHSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000424182515 387896781 /nfs/dbraw/zinc/89/67/81/387896781.db2.gz ZOCKCMPFRLJUAE-ZRUFSTJUSA-N 1 3 223.320 -0.208 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000424186738 387903938 /nfs/dbraw/zinc/90/39/38/387903938.db2.gz HHRIREXQAZSNFC-NGJCXOISSA-N 1 3 225.214 -0.271 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000424186739 387903295 /nfs/dbraw/zinc/90/32/95/387903295.db2.gz HHRIREXQAZSNFC-SRQIZXRXSA-N 1 3 225.214 -0.271 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000424187870 200881725 /nfs/dbraw/zinc/88/17/25/200881725.db2.gz IXLBIRWLQBLFJE-KXUCPTDWSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000424187871 387904599 /nfs/dbraw/zinc/90/45/99/387904599.db2.gz IXLBIRWLQBLFJE-LPEHRKFASA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)C[C@@]1(C)C[NH3+] ZINC000424197631 387923968 /nfs/dbraw/zinc/92/39/68/387923968.db2.gz ODNJNXQUMWUSIE-SDNRWEOFSA-N 1 3 211.309 -0.223 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)CCOCC1 ZINC000424209888 387930175 /nfs/dbraw/zinc/93/01/75/387930175.db2.gz ZZTJOUAALJUNOR-UWVGGRQHSA-N 1 3 241.335 -0.249 20 0 BBADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCOC1CNC1 ZINC000424218964 387936203 /nfs/dbraw/zinc/93/62/03/387936203.db2.gz YJWUANWNXMBVOE-GHMZBOCLSA-N 1 3 241.335 -0.249 20 0 BBADHO C[C@@H]1CC2(CN1C(=O)CN)CC[NH2+]CC2 ZINC000424229298 387940127 /nfs/dbraw/zinc/94/01/27/387940127.db2.gz YXHUCLVOJVHDFI-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@H]1CC2(CN1C(=O)CN)CC[NH2+]CC2 ZINC000424229301 387940104 /nfs/dbraw/zinc/94/01/04/387940104.db2.gz YXHUCLVOJVHDFI-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)COC1CNC1 ZINC000424234220 387942077 /nfs/dbraw/zinc/94/20/77/387942077.db2.gz GMQUTBJMWIEAPJ-NXEZZACHSA-N 1 3 227.308 -0.639 20 0 BBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424289109 387952796 /nfs/dbraw/zinc/95/27/96/387952796.db2.gz BHNGWCRTGGICIG-HTQZYQBOSA-N 1 3 228.296 -0.699 20 0 BBADHO COCC(C)(C)N1CCN(CC[NH3+])CC1 ZINC000424289195 387953527 /nfs/dbraw/zinc/95/35/27/387953527.db2.gz BOVFFNSOIRDUKP-UHFFFAOYSA-N 1 3 215.341 -0.012 20 0 BBADHO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424292060 398180377 /nfs/dbraw/zinc/18/03/77/398180377.db2.gz NYSOAFWHFQLXNH-RNFRBKRXSA-N 1 3 214.269 -0.959 20 0 BBADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000424333659 387977404 /nfs/dbraw/zinc/97/74/04/387977404.db2.gz MFSXGIKPKLQZIH-GHMZBOCLSA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]CCOCCN1CCC[C@@H](n2ccnn2)C1 ZINC000424337480 387980736 /nfs/dbraw/zinc/98/07/36/387980736.db2.gz RXQTXNZORQQFDN-LLVKDONJSA-N 1 3 239.323 -0.110 20 0 BBADHO [NH3+]CCOCCN1CCC[C@H](n2ccnn2)C1 ZINC000424337481 387980248 /nfs/dbraw/zinc/98/02/48/387980248.db2.gz RXQTXNZORQQFDN-NSHDSACASA-N 1 3 239.323 -0.110 20 0 BBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424338197 387979768 /nfs/dbraw/zinc/97/97/68/387979768.db2.gz UBVRUSGYURYUPL-RKDXNWHRSA-N 1 3 242.323 -0.308 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CCOCC1 ZINC000427591103 191083326 /nfs/dbraw/zinc/08/33/26/191083326.db2.gz HDVSWMIWNVQNJK-NXEZZACHSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CCOCC1 ZINC000427591104 191083398 /nfs/dbraw/zinc/08/33/98/191083398.db2.gz HDVSWMIWNVQNJK-UWVGGRQHSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CCOCC1 ZINC000427591105 191083130 /nfs/dbraw/zinc/08/31/30/191083130.db2.gz HDVSWMIWNVQNJK-VHSXEESVSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CCOCC1 ZINC000427591106 191083424 /nfs/dbraw/zinc/08/34/24/191083424.db2.gz HDVSWMIWNVQNJK-ZJUUUORDSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCOC1CNC1 ZINC000427599936 191082616 /nfs/dbraw/zinc/08/26/16/191082616.db2.gz CPILCCXJBOHIRO-GXSJLCMTSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCOC1CNC1 ZINC000427599939 191082810 /nfs/dbraw/zinc/08/28/10/191082810.db2.gz CPILCCXJBOHIRO-KOLCDFICSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCOC1CNC1 ZINC000427599940 191083067 /nfs/dbraw/zinc/08/30/67/191083067.db2.gz CPILCCXJBOHIRO-MWLCHTKSSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCOC1CNC1 ZINC000427599941 191083118 /nfs/dbraw/zinc/08/31/18/191083118.db2.gz CPILCCXJBOHIRO-ONGXEEELSA-N 1 3 241.335 -0.521 20 0 BBADHO CCN1CCN(CCC(=O)NCCC[NH3+])CC1 ZINC000428476816 201025391 /nfs/dbraw/zinc/02/53/91/201025391.db2.gz CTXKGPJMTBTRMR-UHFFFAOYSA-N 1 3 242.367 -0.521 20 0 BBADHO [NH3+]C1(CNC(=O)COC2CNC2)CCCCC1 ZINC000428491127 201025237 /nfs/dbraw/zinc/02/52/37/201025237.db2.gz SMGZDKRFYJEBQO-UHFFFAOYSA-N 1 3 241.335 -0.247 20 0 BBADHO CCCN(C)CC(=O)NCCN1CC[NH2+]CC1 ZINC000428655586 384260342 /nfs/dbraw/zinc/26/03/42/384260342.db2.gz MIMQICQYKGJLHD-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO CNC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000428999272 201059124 /nfs/dbraw/zinc/05/91/24/201059124.db2.gz VTKSYUSOAADERX-UHFFFAOYSA-N 1 3 244.383 -0.452 20 0 BBADHO CCN1CCN(CCC(=O)NCC[NH2+]C)CC1 ZINC000429080214 201066575 /nfs/dbraw/zinc/06/65/75/201066575.db2.gz NFVUSQHKORKCPW-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO CCCN(C(=O)COC1CNC1)[C@H]1CC[NH2+]C1 ZINC000429104292 201067700 /nfs/dbraw/zinc/06/77/00/201067700.db2.gz FOAPUMFBYCENHT-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CCCN(C(=O)COC1CNC1)[C@@H]1CC[NH2+]C1 ZINC000429104293 201069159 /nfs/dbraw/zinc/06/91/59/201069159.db2.gz FOAPUMFBYCENHT-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CC(C)C[C@](C)(C[NH3+])NC(=O)COC1CNC1 ZINC000429138763 201070087 /nfs/dbraw/zinc/07/00/87/201070087.db2.gz FTMCMBDMQAVBMO-GFCCVEGCSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)COC1CNC1 ZINC000429138765 201071225 /nfs/dbraw/zinc/07/12/25/201071225.db2.gz FTMCMBDMQAVBMO-LBPRGKRZSA-N 1 3 243.351 -0.146 20 0 BBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)COC1CNC1 ZINC000429281146 201092833 /nfs/dbraw/zinc/09/28/33/201092833.db2.gz UHPPZFQMRHMAFO-GXSJLCMTSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)COC1CNC1 ZINC000429281148 201090938 /nfs/dbraw/zinc/09/09/38/201090938.db2.gz UHPPZFQMRHMAFO-KOLCDFICSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)COC1CNC1 ZINC000429281150 201092741 /nfs/dbraw/zinc/09/27/41/201092741.db2.gz UHPPZFQMRHMAFO-MWLCHTKSSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)COC1CNC1 ZINC000429281152 201088455 /nfs/dbraw/zinc/08/84/55/201088455.db2.gz UHPPZFQMRHMAFO-ONGXEEELSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H](C)N1 ZINC000429389866 201106249 /nfs/dbraw/zinc/10/62/49/201106249.db2.gz RZHUJKRSHHYNDN-DTORHVGOSA-N 1 3 227.308 -0.816 20 0 BBADHO C[C@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H](C)N1 ZINC000429389867 201107375 /nfs/dbraw/zinc/10/73/75/201107375.db2.gz RZHUJKRSHHYNDN-IUCAKERBSA-N 1 3 227.308 -0.816 20 0 BBADHO C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@@H](C)N1 ZINC000429389868 201107273 /nfs/dbraw/zinc/10/72/73/201107273.db2.gz RZHUJKRSHHYNDN-RKDXNWHRSA-N 1 3 227.308 -0.816 20 0 BBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)COC1CNC1 ZINC000429550940 201115155 /nfs/dbraw/zinc/11/51/55/201115155.db2.gz SXUZDDYQQCHZNT-LLVKDONJSA-N 1 3 243.351 -0.193 20 0 BBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)COC1CNC1 ZINC000429550941 201114903 /nfs/dbraw/zinc/11/49/03/201114903.db2.gz SXUZDDYQQCHZNT-NSHDSACASA-N 1 3 243.351 -0.193 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)COC1CNC1 ZINC000429623394 201124074 /nfs/dbraw/zinc/12/40/74/201124074.db2.gz ZSXSJUWCNJOGGV-SECBINFHSA-N 1 3 229.324 -0.392 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)COC1CNC1 ZINC000429623395 201124445 /nfs/dbraw/zinc/12/44/45/201124445.db2.gz ZSXSJUWCNJOGGV-VIFPVBQESA-N 1 3 229.324 -0.392 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)COC1CNC1 ZINC000429643980 201124959 /nfs/dbraw/zinc/12/49/59/201124959.db2.gz GITPPGVLLSDKCH-UHFFFAOYSA-N 1 3 229.324 -0.392 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)NC(N)=O ZINC000430554877 387628549 /nfs/dbraw/zinc/62/85/49/387628549.db2.gz OFDBCQWCDDFGIJ-JTQLQIEISA-N 1 3 230.312 -0.466 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)NC(N)=O ZINC000430555176 387628592 /nfs/dbraw/zinc/62/85/92/387628592.db2.gz OFDBCQWCDDFGIJ-SNVBAGLBSA-N 1 3 230.312 -0.466 20 0 BBADHO CNC(=O)NC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000430556441 387628399 /nfs/dbraw/zinc/62/83/99/387628399.db2.gz QQAHLNAMCRMIPE-LLVKDONJSA-N 1 3 244.339 -0.205 20 0 BBADHO CNC(=O)NC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000430556444 387627846 /nfs/dbraw/zinc/62/78/46/387627846.db2.gz QQAHLNAMCRMIPE-NSHDSACASA-N 1 3 244.339 -0.205 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NCCN1C(=O)CNC1=O ZINC000430565556 398227761 /nfs/dbraw/zinc/22/77/61/398227761.db2.gz PYKKRVSHIFTDLL-LLVKDONJSA-N 1 3 242.323 -0.499 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NCCN1C(=O)CNC1=O ZINC000430565557 398228168 /nfs/dbraw/zinc/22/81/68/398228168.db2.gz PYKKRVSHIFTDLL-NSHDSACASA-N 1 3 242.323 -0.499 20 0 BBADHO CNC(=O)NC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000430570489 398229168 /nfs/dbraw/zinc/22/91/68/398229168.db2.gz KJUWHFPOEJNQRX-LLVKDONJSA-N 1 3 242.323 -0.451 20 0 BBADHO CNC(=O)NC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000430570490 398228884 /nfs/dbraw/zinc/22/88/84/398228884.db2.gz KJUWHFPOEJNQRX-NSHDSACASA-N 1 3 242.323 -0.451 20 0 BBADHO CNS(=O)(=O)CCCN[C@@](C)(C[NH3+])C1CC1 ZINC000430593527 387630943 /nfs/dbraw/zinc/63/09/43/387630943.db2.gz OZXUEUXQVMYEFQ-JTQLQIEISA-N 1 3 249.380 -0.357 20 0 BBADHO CNS(=O)(=O)CCCN[C@](C)(C[NH3+])C1CC1 ZINC000430593530 387631750 /nfs/dbraw/zinc/63/17/50/387631750.db2.gz OZXUEUXQVMYEFQ-SNVBAGLBSA-N 1 3 249.380 -0.357 20 0 BBADHO C[C@@](C[NH3+])(NCCn1cncn1)C1CC1 ZINC000430593970 387631057 /nfs/dbraw/zinc/63/10/57/387631057.db2.gz QDXIUFBPJPWNRO-JTQLQIEISA-N 1 3 209.297 -0.005 20 0 BBADHO C[C@](C[NH3+])(NCCn1cncn1)C1CC1 ZINC000430593972 387629846 /nfs/dbraw/zinc/62/98/46/387629846.db2.gz QDXIUFBPJPWNRO-SNVBAGLBSA-N 1 3 209.297 -0.005 20 0 BBADHO CNS(=O)(=O)CCCN1CCC(C[NH3+])CC1 ZINC000430642098 387635241 /nfs/dbraw/zinc/63/52/41/387635241.db2.gz USSGVOCGPWRXKZ-UHFFFAOYSA-N 1 3 249.380 -0.404 20 0 BBADHO C[NH+](C)CCCCNC(=O)COC1CNC1 ZINC000430676808 387637932 /nfs/dbraw/zinc/63/79/32/387637932.db2.gz DWXPXWJAPGMPOS-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CC[N@H+]1CC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000430677262 387637588 /nfs/dbraw/zinc/63/75/88/387637588.db2.gz GAWZBCLBVCFLCI-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO CC[N@@H+]1CC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000430677262 387637585 /nfs/dbraw/zinc/63/75/85/387637585.db2.gz GAWZBCLBVCFLCI-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO CC[N@H+]1CC[C@H](CNC(=O)COC2CNC2)C1 ZINC000430677263 387638969 /nfs/dbraw/zinc/63/89/69/387638969.db2.gz GAWZBCLBVCFLCI-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO CC[N@@H+]1CC[C@H](CNC(=O)COC2CNC2)C1 ZINC000430677263 387638965 /nfs/dbraw/zinc/63/89/65/387638965.db2.gz GAWZBCLBVCFLCI-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO CN(C)[C@]1(CNC(=O)CC[NH3+])CCSC1 ZINC000430685804 387639077 /nfs/dbraw/zinc/63/90/77/387639077.db2.gz JUSCRYJKIRXTRJ-JTQLQIEISA-N 1 3 231.365 -0.111 20 0 BBADHO CN(C)[C@@]1(CNC(=O)CC[NH3+])CCSC1 ZINC000430685805 387638046 /nfs/dbraw/zinc/63/80/46/387638046.db2.gz JUSCRYJKIRXTRJ-SNVBAGLBSA-N 1 3 231.365 -0.111 20 0 BBADHO C[NH+](C)[C@H](CNC(=O)COC1CNC1)C1CC1 ZINC000430692207 387640021 /nfs/dbraw/zinc/64/00/21/387640021.db2.gz QTSYYHOZZYDACM-LLVKDONJSA-N 1 3 241.335 -0.569 20 0 BBADHO C[NH+](C)[C@@H](CNC(=O)COC1CNC1)C1CC1 ZINC000430692208 387640857 /nfs/dbraw/zinc/64/08/57/387640857.db2.gz QTSYYHOZZYDACM-NSHDSACASA-N 1 3 241.335 -0.569 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)COC2CNC2)C1 ZINC000430695993 387640386 /nfs/dbraw/zinc/64/03/86/387640386.db2.gz PBURNAQFXUOVRT-SECBINFHSA-N 1 3 227.308 -0.957 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)COC2CNC2)C1 ZINC000430695993 387640380 /nfs/dbraw/zinc/64/03/80/387640380.db2.gz PBURNAQFXUOVRT-SECBINFHSA-N 1 3 227.308 -0.957 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000430695994 387640174 /nfs/dbraw/zinc/64/01/74/387640174.db2.gz PBURNAQFXUOVRT-VIFPVBQESA-N 1 3 227.308 -0.957 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000430695994 387640168 /nfs/dbraw/zinc/64/01/68/387640168.db2.gz PBURNAQFXUOVRT-VIFPVBQESA-N 1 3 227.308 -0.957 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)COC2CNC2)CC[N@H+]1C ZINC000430701163 387640195 /nfs/dbraw/zinc/64/01/95/387640195.db2.gz UXHBLOJFPAOMKM-NXEZZACHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)COC2CNC2)CC[N@@H+]1C ZINC000430701163 387640191 /nfs/dbraw/zinc/64/01/91/387640191.db2.gz UXHBLOJFPAOMKM-NXEZZACHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)COC2CNC2)CC[N@H+]1C ZINC000430701164 387639762 /nfs/dbraw/zinc/63/97/62/387639762.db2.gz UXHBLOJFPAOMKM-UWVGGRQHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)COC2CNC2)CC[N@@H+]1C ZINC000430701164 387639760 /nfs/dbraw/zinc/63/97/60/387639760.db2.gz UXHBLOJFPAOMKM-UWVGGRQHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1C[C@H](NC(=O)COC2CNC2)CC[N@H+]1C ZINC000430701165 387640211 /nfs/dbraw/zinc/64/02/11/387640211.db2.gz UXHBLOJFPAOMKM-VHSXEESVSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1C[C@H](NC(=O)COC2CNC2)CC[N@@H+]1C ZINC000430701165 387640208 /nfs/dbraw/zinc/64/02/08/387640208.db2.gz UXHBLOJFPAOMKM-VHSXEESVSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)COC2CNC2)CC[N@H+]1C ZINC000430701166 387640362 /nfs/dbraw/zinc/64/03/62/387640362.db2.gz UXHBLOJFPAOMKM-ZJUUUORDSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)COC2CNC2)CC[N@@H+]1C ZINC000430701166 387640357 /nfs/dbraw/zinc/64/03/57/387640357.db2.gz UXHBLOJFPAOMKM-ZJUUUORDSA-N 1 3 241.335 -0.426 20 0 BBADHO CNCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000430701367 387640266 /nfs/dbraw/zinc/64/02/66/387640266.db2.gz VGFJWTMYOTWXBV-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO O=C(COC1CNC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000430719579 387644598 /nfs/dbraw/zinc/64/45/98/387644598.db2.gz KCAGQQBDKGCJAK-JTQLQIEISA-N 1 3 239.319 -0.719 20 0 BBADHO O=C(COC1CNC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000430719579 387644596 /nfs/dbraw/zinc/64/45/96/387644596.db2.gz KCAGQQBDKGCJAK-JTQLQIEISA-N 1 3 239.319 -0.719 20 0 BBADHO O=C(COC1CNC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000430719581 387644239 /nfs/dbraw/zinc/64/42/39/387644239.db2.gz KCAGQQBDKGCJAK-SNVBAGLBSA-N 1 3 239.319 -0.719 20 0 BBADHO O=C(COC1CNC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000430719581 387644236 /nfs/dbraw/zinc/64/42/36/387644236.db2.gz KCAGQQBDKGCJAK-SNVBAGLBSA-N 1 3 239.319 -0.719 20 0 BBADHO COCCN1CC[C@@H](NC(=O)CC[NH3+])C1 ZINC000430719880 387645525 /nfs/dbraw/zinc/64/55/25/387645525.db2.gz LCSNMWCOZYNEHC-SECBINFHSA-N 1 3 215.297 -0.828 20 0 BBADHO COCCN1CC[C@H](NC(=O)CC[NH3+])C1 ZINC000430719882 387645362 /nfs/dbraw/zinc/64/53/62/387645362.db2.gz LCSNMWCOZYNEHC-VIFPVBQESA-N 1 3 215.297 -0.828 20 0 BBADHO COCCN1CC[C@H](NC(=O)CCC[NH3+])C1 ZINC000430724825 387644102 /nfs/dbraw/zinc/64/41/02/387644102.db2.gz WBHVSPHDXBVZFT-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO COCCN1CC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000430724833 387645462 /nfs/dbraw/zinc/64/54/62/387645462.db2.gz WBHVSPHDXBVZFT-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO C[NH2+]CCCC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000430726422 387644161 /nfs/dbraw/zinc/64/41/61/387644161.db2.gz VUSHBKVEQXVPMJ-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH2+]CCCC(=O)N[C@H]1CCN(CCOC)C1 ZINC000430726423 387644382 /nfs/dbraw/zinc/64/43/82/387644382.db2.gz VUSHBKVEQXVPMJ-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000430730429 387645383 /nfs/dbraw/zinc/64/53/83/387645383.db2.gz JEBFNCIAODSTAS-GHMZBOCLSA-N 1 3 243.351 -0.321 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000430730430 387644677 /nfs/dbraw/zinc/64/46/77/387644677.db2.gz JEBFNCIAODSTAS-MNOVXSKESA-N 1 3 243.351 -0.321 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000430730431 387645210 /nfs/dbraw/zinc/64/52/10/387645210.db2.gz JEBFNCIAODSTAS-QWRGUYRKSA-N 1 3 243.351 -0.321 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000430730432 387644256 /nfs/dbraw/zinc/64/42/56/387644256.db2.gz JEBFNCIAODSTAS-WDEREUQCSA-N 1 3 243.351 -0.321 20 0 BBADHO CC[C@H]([NH3+])C(=O)N[C@H]1CCN(CCOC)C1 ZINC000430735416 387646838 /nfs/dbraw/zinc/64/68/38/387646838.db2.gz YYUKLEMOQQOYKL-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000430735417 387647554 /nfs/dbraw/zinc/64/75/54/387647554.db2.gz YYUKLEMOQQOYKL-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO C[NH+](C)C1(CNC(=O)C(C)(C)N)CCOCC1 ZINC000430736200 387647737 /nfs/dbraw/zinc/64/77/37/387647737.db2.gz CKKPPYZWJHOHBO-UHFFFAOYSA-N 1 3 243.351 -0.049 20 0 BBADHO CC[C@H](N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430750088 398229914 /nfs/dbraw/zinc/22/99/14/398229914.db2.gz AYARLDJIGKFNMA-NSHDSACASA-N 1 3 243.351 -0.313 20 0 BBADHO C[C@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430772956 387649093 /nfs/dbraw/zinc/64/90/93/387649093.db2.gz PACWDGZZPGLCMX-JTQLQIEISA-N 1 3 242.367 -0.524 20 0 BBADHO CNCC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430776059 387650065 /nfs/dbraw/zinc/65/00/65/387650065.db2.gz IGIFWMGTSTUJAL-UHFFFAOYSA-N 1 3 242.367 -0.652 20 0 BBADHO C[C@@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430778168 387649223 /nfs/dbraw/zinc/64/92/23/387649223.db2.gz PACWDGZZPGLCMX-SNVBAGLBSA-N 1 3 242.367 -0.524 20 0 BBADHO CCC[N@@H+](CC)CCNC(=O)COC1CNC1 ZINC000430809930 387653369 /nfs/dbraw/zinc/65/33/69/387653369.db2.gz SDVWUKPSBLSXTI-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO CCC[N@H+](CC)CCNC(=O)COC1CNC1 ZINC000430809930 387653361 /nfs/dbraw/zinc/65/33/61/387653361.db2.gz SDVWUKPSBLSXTI-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO CC[C@H](N)C(=O)NCC[N@@H+](C)CCCOC ZINC000430817334 387654910 /nfs/dbraw/zinc/65/49/10/387654910.db2.gz RVZRTTGKHQRJPJ-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO CC[C@H](N)C(=O)NCC[N@H+](C)CCCOC ZINC000430817334 387654907 /nfs/dbraw/zinc/65/49/07/387654907.db2.gz RVZRTTGKHQRJPJ-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO NCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000430818832 387653606 /nfs/dbraw/zinc/65/36/06/387653606.db2.gz FFEJZLKZSNJJPC-JTQLQIEISA-N 1 3 211.309 -0.111 20 0 BBADHO NCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000430818833 387654415 /nfs/dbraw/zinc/65/44/15/387654415.db2.gz FFEJZLKZSNJJPC-SNVBAGLBSA-N 1 3 211.309 -0.111 20 0 BBADHO O=C(COC1CNC1)NCCC[NH+]1CCCC1 ZINC000430835243 398232341 /nfs/dbraw/zinc/23/23/41/398232341.db2.gz BYXZJHBNVKCDDY-UHFFFAOYSA-N 1 3 241.335 -0.423 20 0 BBADHO C[NH+](C)CCCNC(=O)COC1CNC1 ZINC000430840135 398232763 /nfs/dbraw/zinc/23/27/63/398232763.db2.gz WIQGDGUBSPGPMC-UHFFFAOYSA-N 1 3 215.297 -0.957 20 0 BBADHO CC[N@H+]1CCC[C@H]1CNC(=O)COC1CNC1 ZINC000430845852 398232860 /nfs/dbraw/zinc/23/28/60/398232860.db2.gz RQROUIMHXOHIPG-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)COC1CNC1 ZINC000430845852 398232855 /nfs/dbraw/zinc/23/28/55/398232855.db2.gz RQROUIMHXOHIPG-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)COC1CNC1 ZINC000430845853 398232964 /nfs/dbraw/zinc/23/29/64/398232964.db2.gz RQROUIMHXOHIPG-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CNC1 ZINC000430845853 398232961 /nfs/dbraw/zinc/23/29/61/398232961.db2.gz RQROUIMHXOHIPG-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH+](C)CC(C)(C)CNC(=O)COC1CNC1 ZINC000430846727 398232996 /nfs/dbraw/zinc/23/29/96/398232996.db2.gz VLLYRULXTYXAGO-UHFFFAOYSA-N 1 3 243.351 -0.321 20 0 BBADHO CC[NH+](CC)CCNC(=O)COC1CNC1 ZINC000430848856 398233065 /nfs/dbraw/zinc/23/30/65/398233065.db2.gz DHOHGUCXHBGENP-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CC[NH+]1CCC(NC(=O)COC2CNC2)CC1 ZINC000430854650 398232596 /nfs/dbraw/zinc/23/25/96/398232596.db2.gz MTESPAFVDIETAO-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO CC[NH+](CC)CCCNC(=O)COC1CNC1 ZINC000430854752 398233031 /nfs/dbraw/zinc/23/30/31/398233031.db2.gz NOVNGOJBCHOATC-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO CNCC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430871376 412291028 /nfs/dbraw/zinc/29/10/28/412291028.db2.gz XFUSCEGWRRYZLV-UHFFFAOYSA-N 1 3 225.296 -0.397 20 0 BBADHO C[NH+](C)CCn1ccc(NC(=O)C2(N)CC2)n1 ZINC000430871916 412167746 /nfs/dbraw/zinc/16/77/46/412167746.db2.gz YMLLMOCORXFTIB-UHFFFAOYSA-N 1 3 237.307 -0.126 20 0 BBADHO C[C@@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430872162 411820986 /nfs/dbraw/zinc/82/09/86/411820986.db2.gz ZYNVYIQTEFOBDA-MRVPVSSYSA-N 1 3 225.296 -0.270 20 0 BBADHO C[C@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430872163 412213110 /nfs/dbraw/zinc/21/31/10/412213110.db2.gz ZYNVYIQTEFOBDA-QMMMGPOBSA-N 1 3 225.296 -0.270 20 0 BBADHO C[C@@H]([NH3+])CC(=O)Nc1ccn(CCN(C)C)n1 ZINC000430873236 411823478 /nfs/dbraw/zinc/82/34/78/411823478.db2.gz QMIIJMKVIRVZSK-SECBINFHSA-N 1 3 239.323 0.121 20 0 BBADHO C[C@H]([NH3+])CC(=O)Nc1ccn(CCN(C)C)n1 ZINC000430873237 410743881 /nfs/dbraw/zinc/74/38/81/410743881.db2.gz QMIIJMKVIRVZSK-VIFPVBQESA-N 1 3 239.323 0.121 20 0 BBADHO CN(C)CCn1ccc(NC(=O)CC[NH3+])n1 ZINC000430875023 412167391 /nfs/dbraw/zinc/16/73/91/412167391.db2.gz KLNBPYWEXNTZLM-UHFFFAOYSA-N 1 3 225.296 -0.268 20 0 BBADHO C[NH+](C)[C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000430879961 387655833 /nfs/dbraw/zinc/65/58/33/387655833.db2.gz QMEJCMMOESOIRB-JTQLQIEISA-N 1 3 241.335 -0.473 20 0 BBADHO C[NH+](C)[C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000430879962 387656027 /nfs/dbraw/zinc/65/60/27/387656027.db2.gz QMEJCMMOESOIRB-SNVBAGLBSA-N 1 3 241.335 -0.473 20 0 BBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)COC1CNC1 ZINC000430883906 387658406 /nfs/dbraw/zinc/65/84/06/387658406.db2.gz FEMXNFPIEPEVFA-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO CC[C@H](C)[N@H+](C)CCNC(=O)COC1CNC1 ZINC000430883906 387658400 /nfs/dbraw/zinc/65/84/00/387658400.db2.gz FEMXNFPIEPEVFA-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)COC1CNC1 ZINC000430883907 387658313 /nfs/dbraw/zinc/65/83/13/387658313.db2.gz FEMXNFPIEPEVFA-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)COC1CNC1 ZINC000430883907 387658309 /nfs/dbraw/zinc/65/83/09/387658309.db2.gz FEMXNFPIEPEVFA-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO CC[N@@H+](CCNC(=O)COC1CNC1)C(C)C ZINC000430900871 387659342 /nfs/dbraw/zinc/65/93/42/387659342.db2.gz RFMPZRVDEGVDNL-UHFFFAOYSA-N 1 3 243.351 -0.179 20 0 BBADHO CC[N@H+](CCNC(=O)COC1CNC1)C(C)C ZINC000430900871 387659337 /nfs/dbraw/zinc/65/93/37/387659337.db2.gz RFMPZRVDEGVDNL-UHFFFAOYSA-N 1 3 243.351 -0.179 20 0 BBADHO CC[N@@H+](CCNC(=O)COC1CNC1)C1CC1 ZINC000430905420 387658363 /nfs/dbraw/zinc/65/83/63/387658363.db2.gz DYZVIQACGGLTJY-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO CC[N@H+](CCNC(=O)COC1CNC1)C1CC1 ZINC000430905420 387658359 /nfs/dbraw/zinc/65/83/59/387658359.db2.gz DYZVIQACGGLTJY-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO CNCC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000430909420 206061795 /nfs/dbraw/zinc/06/17/95/206061795.db2.gz ALRROQRQVMWOSE-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO CC(C)[N@@H+](C)CCNC(=O)COC1CNC1 ZINC000430909512 206062159 /nfs/dbraw/zinc/06/21/59/206062159.db2.gz OKZYFZIKDVTFDR-UHFFFAOYSA-N 1 3 229.324 -0.569 20 0 BBADHO CC(C)[N@H+](C)CCNC(=O)COC1CNC1 ZINC000430909512 206062156 /nfs/dbraw/zinc/06/21/56/206062156.db2.gz OKZYFZIKDVTFDR-UHFFFAOYSA-N 1 3 229.324 -0.569 20 0 BBADHO C[C@H](CNC(=O)COC1CNC1)[N@@H+](C)C1CC1 ZINC000430909774 206061682 /nfs/dbraw/zinc/06/16/82/206061682.db2.gz BVYPDLRTBCTGCN-SECBINFHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H](CNC(=O)COC1CNC1)[N@H+](C)C1CC1 ZINC000430909774 206061677 /nfs/dbraw/zinc/06/16/77/206061677.db2.gz BVYPDLRTBCTGCN-SECBINFHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H](CNC(=O)COC1CNC1)[N@@H+](C)C1CC1 ZINC000430909775 206062737 /nfs/dbraw/zinc/06/27/37/206062737.db2.gz BVYPDLRTBCTGCN-VIFPVBQESA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H](CNC(=O)COC1CNC1)[N@H+](C)C1CC1 ZINC000430909775 206062733 /nfs/dbraw/zinc/06/27/33/206062733.db2.gz BVYPDLRTBCTGCN-VIFPVBQESA-N 1 3 241.335 -0.426 20 0 BBADHO [NH3+]C[C@H]1CCN(CCC(=O)N2CCOCC2)C1 ZINC000430950525 387069877 /nfs/dbraw/zinc/06/98/77/387069877.db2.gz RQGKGYXDWGOKDV-LLVKDONJSA-N 1 3 241.335 -0.484 20 0 BBADHO [NH3+]C[C@@H]1CCN(CCC(=O)N2CCOCC2)C1 ZINC000430950529 387070613 /nfs/dbraw/zinc/07/06/13/387070613.db2.gz RQGKGYXDWGOKDV-NSHDSACASA-N 1 3 241.335 -0.484 20 0 BBADHO CC[C@H]([NH3+])C(=O)NCCN1CCN(CC)CC1 ZINC000430998948 192029858 /nfs/dbraw/zinc/02/98/58/192029858.db2.gz AEAUBBUBOMADIY-NSHDSACASA-N 1 3 242.367 -0.523 20 0 BBADHO CCN1CCN(CCNC(=O)CCC[NH3+])CC1 ZINC000431001326 387668817 /nfs/dbraw/zinc/66/88/17/387668817.db2.gz IWQKLEBWMBRVBR-UHFFFAOYSA-N 1 3 242.367 -0.521 20 0 BBADHO CCN1CCN(CCNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000431006366 387671567 /nfs/dbraw/zinc/67/15/67/387671567.db2.gz YIUXCFXPCYFSIA-LLVKDONJSA-N 1 3 242.367 -0.523 20 0 BBADHO CCN1CCN(CCNC(=O)C[C@H](C)[NH3+])CC1 ZINC000431006367 192901043 /nfs/dbraw/zinc/90/10/43/192901043.db2.gz YIUXCFXPCYFSIA-NSHDSACASA-N 1 3 242.367 -0.523 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC[NH3+] ZINC000431023772 387671069 /nfs/dbraw/zinc/67/10/69/387671069.db2.gz IVUYTJHCOMUTNX-PSASIEDQSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[NH3+] ZINC000431023775 387671193 /nfs/dbraw/zinc/67/11/93/387671193.db2.gz IVUYTJHCOMUTNX-SCZZXKLOSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CC[NH3+] ZINC000431023776 387669798 /nfs/dbraw/zinc/66/97/98/387669798.db2.gz IVUYTJHCOMUTNX-WCBMZHEXSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CC[NH3+] ZINC000431023779 387671584 /nfs/dbraw/zinc/67/15/84/387671584.db2.gz IVUYTJHCOMUTNX-WPRPVWTQSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)OCC[NH+]1CCC(NC(=O)CN)CC1 ZINC000431025466 387671258 /nfs/dbraw/zinc/67/12/58/387671258.db2.gz OQGVBGWHVQGELP-UHFFFAOYSA-N 1 3 243.351 -0.049 20 0 BBADHO CCN1CCN([C@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431027367 387669666 /nfs/dbraw/zinc/66/96/66/387669666.db2.gz JAUHLNHKHHVKLA-LLVKDONJSA-N 1 3 242.367 -0.652 20 0 BBADHO CCN1CCN([C@@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431027368 387671043 /nfs/dbraw/zinc/67/10/43/387671043.db2.gz JAUHLNHKHHVKLA-NSHDSACASA-N 1 3 242.367 -0.652 20 0 BBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000431028813 387671374 /nfs/dbraw/zinc/67/13/74/387671374.db2.gz UWCBTVRBTNMFDZ-GHMZBOCLSA-N 1 3 242.367 -0.524 20 0 BBADHO CCN1CCN([C@H](C)CNC(=O)[C@H](C)[NH3+])CC1 ZINC000431028814 387669489 /nfs/dbraw/zinc/66/94/89/387669489.db2.gz UWCBTVRBTNMFDZ-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H](C)[NH3+])CC1 ZINC000431028815 387671006 /nfs/dbraw/zinc/67/10/06/387671006.db2.gz UWCBTVRBTNMFDZ-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000431028816 387670835 /nfs/dbraw/zinc/67/08/35/387670835.db2.gz UWCBTVRBTNMFDZ-WDEREUQCSA-N 1 3 242.367 -0.524 20 0 BBADHO CCN1CCN([C@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431031376 387670143 /nfs/dbraw/zinc/67/01/43/387670143.db2.gz YRSOCIZHRGFGIW-LLVKDONJSA-N 1 3 242.367 -0.523 20 0 BBADHO CCN1CCN([C@@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431031377 387671534 /nfs/dbraw/zinc/67/15/34/387671534.db2.gz YRSOCIZHRGFGIW-NSHDSACASA-N 1 3 242.367 -0.523 20 0 BBADHO CN(C)CC[NH+]1CCC(CNC(=O)CN)CC1 ZINC000431034328 387673321 /nfs/dbraw/zinc/67/33/21/387673321.db2.gz WBZOAAHFWDBBKX-UHFFFAOYSA-N 1 3 242.367 -0.665 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)COC1CNC1 ZINC000431044688 387672430 /nfs/dbraw/zinc/67/24/30/387672430.db2.gz KFHCEZUPBBYGDP-SECBINFHSA-N 1 3 229.324 -0.569 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)COC1CNC1 ZINC000431044689 387673229 /nfs/dbraw/zinc/67/32/29/387673229.db2.gz KFHCEZUPBBYGDP-VIFPVBQESA-N 1 3 229.324 -0.569 20 0 BBADHO COCCN1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000431050419 387672250 /nfs/dbraw/zinc/67/22/50/387672250.db2.gz UDQJKJJFLKCCDY-UHFFFAOYSA-N 1 3 243.351 -0.049 20 0 BBADHO CC[NH+](CC)C[C@H](C)NC(=O)COC1CNC1 ZINC000431052615 387672557 /nfs/dbraw/zinc/67/25/57/387672557.db2.gz YRQHNMYVBZFLHD-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO CC[NH+](CC)C[C@@H](C)NC(=O)COC1CNC1 ZINC000431052616 387673556 /nfs/dbraw/zinc/67/35/56/387673556.db2.gz YRQHNMYVBZFLHD-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CNC(=O)CNC[C@H]1CCCO1)[NH+](C)C ZINC000431055431 387673283 /nfs/dbraw/zinc/67/32/83/387673283.db2.gz IBSPJPRMPSOIKF-GHMZBOCLSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CNC(=O)CNC[C@@H]1CCCO1)[NH+](C)C ZINC000431055432 387672833 /nfs/dbraw/zinc/67/28/33/387672833.db2.gz IBSPJPRMPSOIKF-MNOVXSKESA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](CNC(=O)CNC[C@@H]1CCCO1)[NH+](C)C ZINC000431055433 387672531 /nfs/dbraw/zinc/67/25/31/387672531.db2.gz IBSPJPRMPSOIKF-QWRGUYRKSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](CNC(=O)CNC[C@H]1CCCO1)[NH+](C)C ZINC000431055434 387672186 /nfs/dbraw/zinc/67/21/86/387672186.db2.gz IBSPJPRMPSOIKF-WDEREUQCSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCN1CCC(NC(=O)CCC[NH3+])CC1 ZINC000431057004 387672898 /nfs/dbraw/zinc/67/28/98/387672898.db2.gz MUNBWUGAYQBDNJ-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CC[N@@H+](C)CCNC(=O)COC1CNC1 ZINC000431067433 387676263 /nfs/dbraw/zinc/67/62/63/387676263.db2.gz WKNLKGAIJLBPRD-UHFFFAOYSA-N 1 3 215.297 -0.957 20 0 BBADHO CC[N@H+](C)CCNC(=O)COC1CNC1 ZINC000431067433 387676258 /nfs/dbraw/zinc/67/62/58/387676258.db2.gz WKNLKGAIJLBPRD-UHFFFAOYSA-N 1 3 215.297 -0.957 20 0 BBADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000432527542 387799605 /nfs/dbraw/zinc/79/96/05/387799605.db2.gz RCZFMOCBPZKDKE-GARJFASQSA-N 1 3 239.319 -0.984 20 0 BBADHO C[C@H]1NCCN(C(=O)CCOC2C[NH2+]C2)[C@@H]1C ZINC000434669431 201232704 /nfs/dbraw/zinc/23/27/04/201232704.db2.gz JABLHVFHNKSJCG-NXEZZACHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1NCCN(C(=O)CCOC2C[NH2+]C2)[C@H]1C ZINC000434669432 201232727 /nfs/dbraw/zinc/23/27/27/201232727.db2.gz JABLHVFHNKSJCG-UWVGGRQHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)CCOC1C[NH2+]C1 ZINC000434669433 201232790 /nfs/dbraw/zinc/23/27/90/201232790.db2.gz JABLHVFHNKSJCG-VHSXEESVSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1NCCN(C(=O)CCOC2C[NH2+]C2)[C@H]1C ZINC000434669434 201232182 /nfs/dbraw/zinc/23/21/82/201232182.db2.gz JABLHVFHNKSJCG-ZJUUUORDSA-N 1 3 241.335 -0.426 20 0 BBADHO COCCN1CC[C@@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000434684035 201233530 /nfs/dbraw/zinc/23/35/30/201233530.db2.gz GTVGKOAJMNXJMI-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CC[C@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000434684036 201233783 /nfs/dbraw/zinc/23/37/83/201233783.db2.gz GTVGKOAJMNXJMI-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000434684037 201234099 /nfs/dbraw/zinc/23/40/99/201234099.db2.gz GTVGKOAJMNXJMI-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000434684038 201233703 /nfs/dbraw/zinc/23/37/03/201233703.db2.gz GTVGKOAJMNXJMI-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)CCOCC1 ZINC000434701424 201235140 /nfs/dbraw/zinc/23/51/40/201235140.db2.gz ZZTJOUAALJUNOR-NXEZZACHSA-N 1 3 241.335 -0.249 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)CCOCC1 ZINC000434701426 201233108 /nfs/dbraw/zinc/23/31/08/201233108.db2.gz ZZTJOUAALJUNOR-VHSXEESVSA-N 1 3 241.335 -0.249 20 0 BBADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)CCOCC1 ZINC000434701427 201233939 /nfs/dbraw/zinc/23/39/39/201233939.db2.gz ZZTJOUAALJUNOR-ZJUUUORDSA-N 1 3 241.335 -0.249 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCOC1CNC1 ZINC000434703866 201237720 /nfs/dbraw/zinc/23/77/20/201237720.db2.gz VZGQZOCIKAEBRK-GXSJLCMTSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCOC1CNC1 ZINC000434703867 201235634 /nfs/dbraw/zinc/23/56/34/201235634.db2.gz VZGQZOCIKAEBRK-KOLCDFICSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCOC1CNC1 ZINC000434703868 201236258 /nfs/dbraw/zinc/23/62/58/201236258.db2.gz VZGQZOCIKAEBRK-MWLCHTKSSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1NCCN(C(=O)COC2C[NH2+]C2)[C@H]1C ZINC000434709322 201237066 /nfs/dbraw/zinc/23/70/66/201237066.db2.gz GDLGUWMIOLQNHT-BDAKNGLRSA-N 1 3 227.308 -0.816 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)COC1C[NH2+]C1 ZINC000434709323 201236597 /nfs/dbraw/zinc/23/65/97/201236597.db2.gz GDLGUWMIOLQNHT-DTWKUNHWSA-N 1 3 227.308 -0.816 20 0 BBADHO C[C@@H]1NCCN(C(=O)COC2C[NH2+]C2)[C@H]1C ZINC000434709324 201236989 /nfs/dbraw/zinc/23/69/89/201236989.db2.gz GDLGUWMIOLQNHT-IUCAKERBSA-N 1 3 227.308 -0.816 20 0 BBADHO C[C@H]1NCCN(C(=O)COC2C[NH2+]C2)[C@@H]1C ZINC000434709325 201235718 /nfs/dbraw/zinc/23/57/18/201235718.db2.gz GDLGUWMIOLQNHT-RKDXNWHRSA-N 1 3 227.308 -0.816 20 0 BBADHO C[NH2+]CCCN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000435872688 201291834 /nfs/dbraw/zinc/29/18/34/201291834.db2.gz PXKWXVIQWHKWEG-NEPJUHHUSA-N 1 3 229.368 -0.017 20 0 BBADHO C[NH2+]CCCN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000435872689 201292609 /nfs/dbraw/zinc/29/26/09/201292609.db2.gz PXKWXVIQWHKWEG-NWDGAFQWSA-N 1 3 229.368 -0.017 20 0 BBADHO C[NH2+]CCCN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000435872690 201291470 /nfs/dbraw/zinc/29/14/70/201291470.db2.gz PXKWXVIQWHKWEG-RYUDHWBXSA-N 1 3 229.368 -0.017 20 0 BBADHO C[NH2+]CCCN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000435872691 201293720 /nfs/dbraw/zinc/29/37/20/201293720.db2.gz PXKWXVIQWHKWEG-VXGBXAGGSA-N 1 3 229.368 -0.017 20 0 BBADHO COCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436062734 201309064 /nfs/dbraw/zinc/30/90/64/201309064.db2.gz WUTIYLQDBYVZDJ-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO COCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062735 201309229 /nfs/dbraw/zinc/30/92/29/201309229.db2.gz WUTIYLQDBYVZDJ-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO CC[C@H](Cn1cncn1)NC[C@@H](O)C[NH+](C)C ZINC000438826271 201421557 /nfs/dbraw/zinc/42/15/57/201421557.db2.gz CECNSRXYOYWBNC-GHMZBOCLSA-N 1 3 241.339 -0.431 20 0 BBADHO CC[C@H](Cn1cncn1)NC[C@H](O)C[NH+](C)C ZINC000438826272 387955658 /nfs/dbraw/zinc/95/56/58/387955658.db2.gz CECNSRXYOYWBNC-MNOVXSKESA-N 1 3 241.339 -0.431 20 0 BBADHO CC[C@@H](Cn1cncn1)NC[C@H](O)C[NH+](C)C ZINC000438826273 387957044 /nfs/dbraw/zinc/95/70/44/387957044.db2.gz CECNSRXYOYWBNC-QWRGUYRKSA-N 1 3 241.339 -0.431 20 0 BBADHO CC[C@@H](Cn1cncn1)NC[C@@H](O)C[NH+](C)C ZINC000438826274 387956941 /nfs/dbraw/zinc/95/69/41/387956941.db2.gz CECNSRXYOYWBNC-WDEREUQCSA-N 1 3 241.339 -0.431 20 0 BBADHO C[NH2+]CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000440571766 388055374 /nfs/dbraw/zinc/05/53/74/388055374.db2.gz NUNDWDRLSXNZQP-UHFFFAOYSA-N 1 3 242.367 -0.698 20 0 BBADHO C[C@H]([NH3+])CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000442656136 387814808 /nfs/dbraw/zinc/81/48/08/387814808.db2.gz DSMBZJVTJWIFMA-AXFHLTTASA-N 1 3 215.341 -0.280 20 0 BBADHO C[C@H]([NH3+])CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000442656138 387815066 /nfs/dbraw/zinc/81/50/66/387815066.db2.gz DSMBZJVTJWIFMA-DCAQKATOSA-N 1 3 215.341 -0.280 20 0 BBADHO C[C@@H](O)CN1CCN(C[C@H](C)[NH3+])C[C@@H]1C ZINC000442656139 387815153 /nfs/dbraw/zinc/81/51/53/387815153.db2.gz DSMBZJVTJWIFMA-GARJFASQSA-N 1 3 215.341 -0.280 20 0 BBADHO C[C@@H](O)CN1CCN(C[C@H](C)[NH3+])C[C@H]1C ZINC000442656140 387814053 /nfs/dbraw/zinc/81/40/53/387814053.db2.gz DSMBZJVTJWIFMA-HBNTYKKESA-N 1 3 215.341 -0.280 20 0 BBADHO CN1CCN(CCNC(N)=[NH2+])CC1(C)C ZINC000443033720 193011196 /nfs/dbraw/zinc/01/11/96/193011196.db2.gz PAOVYGUJAZWHEJ-UHFFFAOYSA-N 1 3 213.329 -0.505 20 0 BBADHO CS(=O)(=O)NCCN1CCC[C@@H](CC[NH3+])C1 ZINC000443061688 193012823 /nfs/dbraw/zinc/01/28/23/193012823.db2.gz SEDYDVVQNMSAQP-JTQLQIEISA-N 1 3 249.380 -0.404 20 0 BBADHO CS(=O)(=O)NCCN1CCC[C@H](CC[NH3+])C1 ZINC000443061689 193012376 /nfs/dbraw/zinc/01/23/76/193012376.db2.gz SEDYDVVQNMSAQP-SNVBAGLBSA-N 1 3 249.380 -0.404 20 0 BBADHO COCCN1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444166422 193039396 /nfs/dbraw/zinc/03/93/96/193039396.db2.gz BZWDOGHFOUSWDV-LLVKDONJSA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)CCN1C ZINC000444176240 193040137 /nfs/dbraw/zinc/04/01/37/193040137.db2.gz OKTSOECUSCFFNO-IVZWLZJFSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)CCN1C ZINC000444176241 193039560 /nfs/dbraw/zinc/03/95/60/193039560.db2.gz OKTSOECUSCFFNO-LPEHRKFASA-N 1 3 211.309 -0.053 20 0 BBADHO CN(C)[C@]1(CNC(=O)[C@H]2CC[NH2+]2)CCSC1 ZINC000444179357 193039997 /nfs/dbraw/zinc/03/99/97/193039997.db2.gz CWQIYKHFYVAJFF-KOLCDFICSA-N 1 3 243.376 -0.098 20 0 BBADHO CN(C)[C@@]1(CNC(=O)[C@H]2CC[NH2+]2)CCSC1 ZINC000444179358 193040142 /nfs/dbraw/zinc/04/01/42/193040142.db2.gz CWQIYKHFYVAJFF-MWLCHTKSSA-N 1 3 243.376 -0.098 20 0 BBADHO COCCN(C)CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444182705 193040529 /nfs/dbraw/zinc/04/05/29/193040529.db2.gz LTNDZECXWFZUJN-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444191668 193041166 /nfs/dbraw/zinc/04/11/66/193041166.db2.gz XVGUFVZHZHKOCY-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444191670 193040181 /nfs/dbraw/zinc/04/01/81/193040181.db2.gz XVGUFVZHZHKOCY-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCCN(C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444270326 193042662 /nfs/dbraw/zinc/04/26/62/193042662.db2.gz OSUIOFTUHBNTGT-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO CCN1CCN(CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444270510 193043754 /nfs/dbraw/zinc/04/37/54/193043754.db2.gz VHNUJFHYSYUDEW-LLVKDONJSA-N 1 3 240.351 -0.898 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000444271838 193044112 /nfs/dbraw/zinc/04/41/12/193044112.db2.gz UYSFETFSBJZXMQ-FBIMIBRVSA-N 1 3 223.320 -0.053 20 0 BBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000444271839 193043086 /nfs/dbraw/zinc/04/30/86/193043086.db2.gz UYSFETFSBJZXMQ-GDPRMGEGSA-N 1 3 223.320 -0.053 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000444271841 193043634 /nfs/dbraw/zinc/04/36/34/193043634.db2.gz UYSFETFSBJZXMQ-IEBDPFPHSA-N 1 3 223.320 -0.053 20 0 BBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000444271842 193044204 /nfs/dbraw/zinc/04/42/04/193044204.db2.gz UYSFETFSBJZXMQ-JMJZKYOTSA-N 1 3 223.320 -0.053 20 0 BBADHO C[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446267193 206090807 /nfs/dbraw/zinc/09/08/07/206090807.db2.gz PCONWRHDUFOPKB-WCBMZHEXSA-N 1 3 229.299 -0.103 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446271277 206090585 /nfs/dbraw/zinc/09/05/85/206090585.db2.gz JTFSBXVFESKUBT-KXUCPTDWSA-N 1 3 229.299 -0.246 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446271277 206090582 /nfs/dbraw/zinc/09/05/82/206090582.db2.gz JTFSBXVFESKUBT-KXUCPTDWSA-N 1 3 229.299 -0.246 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446271278 388009237 /nfs/dbraw/zinc/00/92/37/388009237.db2.gz JTFSBXVFESKUBT-LPEHRKFASA-N 1 3 229.299 -0.246 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446271278 388009233 /nfs/dbraw/zinc/00/92/33/388009233.db2.gz JTFSBXVFESKUBT-LPEHRKFASA-N 1 3 229.299 -0.246 20 0 BBADHO C[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)[NH+](C)C ZINC000446287401 388011935 /nfs/dbraw/zinc/01/19/35/388011935.db2.gz JEIUPBVABCXIHP-HRDYMLBCSA-N 1 3 217.288 -0.247 20 0 BBADHO C[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)[NH+](C)C ZINC000446287402 388011950 /nfs/dbraw/zinc/01/19/50/388011950.db2.gz JEIUPBVABCXIHP-XHNCKOQMSA-N 1 3 217.288 -0.247 20 0 BBADHO CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449563905 388233827 /nfs/dbraw/zinc/23/38/27/388233827.db2.gz ZMUBJRXPLHSDOZ-SPFKKGSWSA-N 1 3 211.309 -0.306 20 0 BBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449574704 388236666 /nfs/dbraw/zinc/23/66/66/388236666.db2.gz VUOBPYFMAHQQLI-JZYVYDRUSA-N 1 3 211.309 -0.338 20 0 BBADHO CN(C(=O)CCOC1CNC1)C1CC([NH3+])C1 ZINC000449629034 388246283 /nfs/dbraw/zinc/24/62/83/388246283.db2.gz DTLCAVNVZKZFDZ-UHFFFAOYSA-N 1 3 227.308 -0.687 20 0 BBADHO CN(C(=O)CNC[C@@H]1CCCO1)C1CC([NH3+])C1 ZINC000449631594 388246026 /nfs/dbraw/zinc/24/60/26/388246026.db2.gz PJRMMVSPMOPKBU-ILDUYXDCSA-N 1 3 241.335 -0.297 20 0 BBADHO CN(C(=O)CNC[C@H]1CCCO1)C1CC([NH3+])C1 ZINC000449631632 388246229 /nfs/dbraw/zinc/24/62/29/388246229.db2.gz PJRMMVSPMOPKBU-VQXHTEKXSA-N 1 3 241.335 -0.297 20 0 BBADHO CN(C(=O)CCOC1CNC1)C1(C[NH3+])CCC1 ZINC000449688413 202002025 /nfs/dbraw/zinc/00/20/25/202002025.db2.gz UWJXOHQZXTWHCF-UHFFFAOYSA-N 1 3 241.335 -0.295 20 0 BBADHO CN(C)CCNC(=O)NCCOCC[NH+](C)C ZINC000471648059 225067906 /nfs/dbraw/zinc/06/79/06/225067906.db2.gz KLTGSMSHDAOFMY-UHFFFAOYSA-N 1 3 246.355 -0.575 20 0 BBADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000479272453 534643204 /nfs/dbraw/zinc/64/32/04/534643204.db2.gz RCZFMOCBPZKDKE-HBNTYKKESA-N 1 3 239.319 -0.984 20 0 BBADHO COCCN(C)CCNC(=O)/C=C\C[NH+](C)C ZINC000491909139 388327082 /nfs/dbraw/zinc/32/70/82/388327082.db2.gz WMQNXWXEGIXZSB-WAYWQWQTSA-N 1 3 243.351 -0.201 20 0 BBADHO CN(C)C/C=C\C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000492220824 388338414 /nfs/dbraw/zinc/33/84/14/388338414.db2.gz GCQSMGIBWXPZFD-DGMVEKRQSA-N 1 3 243.351 -0.467 20 0 BBADHO CN(C)C/C=C\C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000492220827 388338426 /nfs/dbraw/zinc/33/84/26/388338426.db2.gz GCQSMGIBWXPZFD-ZHRWSRJISA-N 1 3 243.351 -0.467 20 0 BBADHO CN1CC[C@](O)(CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000492578636 226021357 /nfs/dbraw/zinc/02/13/57/226021357.db2.gz FISSUMQLTMQIAV-ITKZLYELSA-N 1 3 241.335 -0.713 20 0 BBADHO CN1CC[C@@](O)(CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000492578637 226021580 /nfs/dbraw/zinc/02/15/80/226021580.db2.gz FISSUMQLTMQIAV-QMAVJUDZSA-N 1 3 241.335 -0.713 20 0 BBADHO CN1CC[C@](O)(CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000492578638 226021130 /nfs/dbraw/zinc/02/11/30/226021130.db2.gz FISSUMQLTMQIAV-RXNFCKPNSA-N 1 3 241.335 -0.713 20 0 BBADHO CN1CC[C@@](O)(CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000492578639 226021460 /nfs/dbraw/zinc/02/14/60/226021460.db2.gz FISSUMQLTMQIAV-ZYOFXKKJSA-N 1 3 241.335 -0.713 20 0 BBADHO CCN(CCO)CCNC(=O)/C=C\C[NH+](C)C ZINC000492597023 528530311 /nfs/dbraw/zinc/53/03/11/528530311.db2.gz QTXVWNPWYVCKKE-WAYWQWQTSA-N 1 3 243.351 -0.465 20 0 BBADHO CN(C)[C@H]1CN(C(=O)/C=C\C[NH+](C)C)C[C@@H]1O ZINC000493328889 226187868 /nfs/dbraw/zinc/18/78/68/226187868.db2.gz XMJGKDZKFKRYOR-OBOPVNRVSA-N 1 3 241.335 -0.763 20 0 BBADHO CN(C)[C@H]1CN(C(=O)/C=C/C[NH+](C)C)C[C@@H]1O ZINC000493328895 226187798 /nfs/dbraw/zinc/18/77/98/226187798.db2.gz XMJGKDZKFKRYOR-PZIAFJOJSA-N 1 3 241.335 -0.763 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000493992941 532983538 /nfs/dbraw/zinc/98/35/38/532983538.db2.gz RHMQHXVBOWQBJN-AXFHLTTASA-N 1 3 243.351 -0.193 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000493992942 532984075 /nfs/dbraw/zinc/98/40/75/532984075.db2.gz RHMQHXVBOWQBJN-DCAQKATOSA-N 1 3 243.351 -0.193 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000493992943 532985491 /nfs/dbraw/zinc/98/54/91/532985491.db2.gz RHMQHXVBOWQBJN-MXWKQRLJSA-N 1 3 243.351 -0.193 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000493992944 532985386 /nfs/dbraw/zinc/98/53/86/532985386.db2.gz RHMQHXVBOWQBJN-VWYCJHECSA-N 1 3 243.351 -0.193 20 0 BBADHO C[NH+](C)C[C@H](O)CN[C@@H]1CCC(=O)NC1(C)C ZINC000495048765 226275319 /nfs/dbraw/zinc/27/53/19/226275319.db2.gz JOFUEMOLWMZANH-NXEZZACHSA-N 1 3 243.351 -0.444 20 0 BBADHO C[NH+](C)C[C@@H](O)CN[C@H]1CCC(=O)NC1(C)C ZINC000495048766 226275265 /nfs/dbraw/zinc/27/52/65/226275265.db2.gz JOFUEMOLWMZANH-UWVGGRQHSA-N 1 3 243.351 -0.444 20 0 BBADHO C[NH+](C)C[C@@H](O)CN[C@@H]1CCC(=O)NC1(C)C ZINC000495048767 226275118 /nfs/dbraw/zinc/27/51/18/226275118.db2.gz JOFUEMOLWMZANH-VHSXEESVSA-N 1 3 243.351 -0.444 20 0 BBADHO C[NH+](C)C[C@H](O)CN[C@H]1CCC(=O)NC1(C)C ZINC000495048768 226275061 /nfs/dbraw/zinc/27/50/61/226275061.db2.gz JOFUEMOLWMZANH-ZJUUUORDSA-N 1 3 243.351 -0.444 20 0 BBADHO CN1CCC(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000495169235 530048078 /nfs/dbraw/zinc/04/80/78/530048078.db2.gz SWWMHSGLKBZKHT-URLYPYJESA-N 1 3 223.320 -0.338 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000514601794 387010616 /nfs/dbraw/zinc/01/06/16/387010616.db2.gz CXXLFAILIYSRKE-GXSJLCMTSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000514601795 387009880 /nfs/dbraw/zinc/00/98/80/387009880.db2.gz CXXLFAILIYSRKE-KOLCDFICSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000514601796 387009894 /nfs/dbraw/zinc/00/98/94/387009894.db2.gz CXXLFAILIYSRKE-MWLCHTKSSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000514601797 387009149 /nfs/dbraw/zinc/00/91/49/387009149.db2.gz CXXLFAILIYSRKE-ONGXEEELSA-N 1 3 241.335 -0.297 20 0 BBADHO O=C(CNC1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000514602006 387010698 /nfs/dbraw/zinc/01/06/98/387010698.db2.gz FXNQIXPJWBELBZ-JTQLQIEISA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(CNC1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000514602007 387010381 /nfs/dbraw/zinc/01/03/81/387010381.db2.gz FXNQIXPJWBELBZ-SNVBAGLBSA-N 1 3 227.308 -0.767 20 0 BBADHO CC[N@@H+](CCCO)C[C@@](C)(O)CNC ZINC000514608568 387015183 /nfs/dbraw/zinc/01/51/83/387015183.db2.gz WFEPHJIFUONDDO-JTQLQIEISA-N 1 3 204.314 -0.339 20 0 BBADHO CC[N@H+](CCCO)C[C@@](C)(O)CNC ZINC000514608568 387015180 /nfs/dbraw/zinc/01/51/80/387015180.db2.gz WFEPHJIFUONDDO-JTQLQIEISA-N 1 3 204.314 -0.339 20 0 BBADHO CC[N@@H+](CCCO)C[C@](C)(O)CNC ZINC000514608569 387014285 /nfs/dbraw/zinc/01/42/85/387014285.db2.gz WFEPHJIFUONDDO-SNVBAGLBSA-N 1 3 204.314 -0.339 20 0 BBADHO CC[N@H+](CCCO)C[C@](C)(O)CNC ZINC000514608569 387014282 /nfs/dbraw/zinc/01/42/82/387014282.db2.gz WFEPHJIFUONDDO-SNVBAGLBSA-N 1 3 204.314 -0.339 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000514672029 387919251 /nfs/dbraw/zinc/91/92/51/387919251.db2.gz INKMAZQFJOWOAP-HLTSFMKQSA-N 1 3 215.297 -0.783 20 0 BBADHO CC1CCN(C[C@H](O)C[NH2+]CCC(N)=O)CC1 ZINC000514673074 387922683 /nfs/dbraw/zinc/92/26/83/387922683.db2.gz CKNZIJFAHQTALO-LLVKDONJSA-N 1 3 243.351 -0.456 20 0 BBADHO CC1CCN(C[C@@H](O)C[NH2+]CCC(N)=O)CC1 ZINC000514673075 387922300 /nfs/dbraw/zinc/92/23/00/387922300.db2.gz CKNZIJFAHQTALO-NSHDSACASA-N 1 3 243.351 -0.456 20 0 BBADHO CN(C)C(=O)C(C)(C)NCCN1CC[NH2+]CC1 ZINC000514674089 256686721 /nfs/dbraw/zinc/68/67/21/256686721.db2.gz YFHQVPDYBLLAFA-UHFFFAOYSA-N 1 3 242.367 -0.652 20 0 BBADHO COCCNCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000514728011 387280545 /nfs/dbraw/zinc/28/05/45/387280545.db2.gz CWWZDASSQCAIGW-LLVKDONJSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000514728012 387279923 /nfs/dbraw/zinc/27/99/23/387279923.db2.gz CWWZDASSQCAIGW-NSHDSACASA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000514790647 387292310 /nfs/dbraw/zinc/29/23/10/387292310.db2.gz KHJSYFLLKXSQCN-DTORHVGOSA-N 1 3 215.297 -0.924 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514931776 388460270 /nfs/dbraw/zinc/46/02/70/388460270.db2.gz CGDKCKDSZUXQJM-CMPLNLGQSA-N 1 3 241.335 -0.438 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514931777 388460583 /nfs/dbraw/zinc/46/05/83/388460583.db2.gz CGDKCKDSZUXQJM-JQWIXIFHSA-N 1 3 241.335 -0.438 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514931778 388460833 /nfs/dbraw/zinc/46/08/33/388460833.db2.gz CGDKCKDSZUXQJM-PWSUYJOCSA-N 1 3 241.335 -0.438 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514931779 388460377 /nfs/dbraw/zinc/46/03/77/388460377.db2.gz CGDKCKDSZUXQJM-ZYHUDNBSSA-N 1 3 241.335 -0.438 20 0 BBADHO CC1(C(=O)NCCNc2ccncc2)C[NH2+]C1 ZINC000514934360 387316188 /nfs/dbraw/zinc/31/61/88/387316188.db2.gz IBHDWIWOXSEUBL-UHFFFAOYSA-N 1 3 234.303 -0.359 20 0 BBADHO CCC[NH2+]CCNC(=O)[C@H](N)CCC(=O)OC ZINC000514937149 387318082 /nfs/dbraw/zinc/31/80/82/387318082.db2.gz JEAHRSLDVPHZLE-SECBINFHSA-N 1 3 245.323 -0.617 20 0 BBADHO CCC[NH2+]CCNC(=O)[C@@H](N)CCC(=O)OC ZINC000514937150 387319032 /nfs/dbraw/zinc/31/90/32/387319032.db2.gz JEAHRSLDVPHZLE-VIFPVBQESA-N 1 3 245.323 -0.617 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000515053775 387327641 /nfs/dbraw/zinc/32/76/41/387327641.db2.gz XEHZMPRCTMNRJR-IVZWLZJFSA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000515053776 387327982 /nfs/dbraw/zinc/32/79/82/387327982.db2.gz XEHZMPRCTMNRJR-KXUCPTDWSA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000515053777 256730855 /nfs/dbraw/zinc/73/08/55/256730855.db2.gz XEHZMPRCTMNRJR-LPEHRKFASA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000515053778 387326791 /nfs/dbraw/zinc/32/67/91/387326791.db2.gz XEHZMPRCTMNRJR-OPRDCNLKSA-N 1 3 229.324 -0.406 20 0 BBADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCNCCOC ZINC000515059114 387329961 /nfs/dbraw/zinc/32/99/61/387329961.db2.gz AMCWMXKIZNSDKN-GHMZBOCLSA-N 1 3 243.351 -0.273 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNCCOC ZINC000515059115 387329135 /nfs/dbraw/zinc/32/91/35/387329135.db2.gz AMCWMXKIZNSDKN-MNOVXSKESA-N 1 3 243.351 -0.273 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNCCOC ZINC000515059116 387330018 /nfs/dbraw/zinc/33/00/18/387330018.db2.gz AMCWMXKIZNSDKN-QWRGUYRKSA-N 1 3 243.351 -0.273 20 0 BBADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNCCOC ZINC000515059117 256731661 /nfs/dbraw/zinc/73/16/61/256731661.db2.gz AMCWMXKIZNSDKN-WDEREUQCSA-N 1 3 243.351 -0.273 20 0 BBADHO CN(C)C(=O)NCCN(C)CCOCC[NH3+] ZINC000515060591 387329643 /nfs/dbraw/zinc/32/96/43/387329643.db2.gz UEPXRCMSMBSRKO-UHFFFAOYSA-N 1 3 232.328 -0.835 20 0 BBADHO C[NH2+]CCCN1CCNC[C@@H]1c1nccn1C ZINC000515060609 387328249 /nfs/dbraw/zinc/32/82/49/387328249.db2.gz UTZLTHWJAOGGDC-LLVKDONJSA-N 1 3 237.351 -0.024 20 0 BBADHO C[NH2+]CCCN1CCNC[C@H]1c1nccn1C ZINC000515060611 387330008 /nfs/dbraw/zinc/33/00/08/387330008.db2.gz UTZLTHWJAOGGDC-NSHDSACASA-N 1 3 237.351 -0.024 20 0 BBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCOC1CNC1 ZINC000515300935 387361008 /nfs/dbraw/zinc/36/10/08/387361008.db2.gz XRIYINQPHRDCHV-HTQZYQBOSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@@H](NC(=O)CCOC1CNC1)[C@H](C)[NH3+] ZINC000515300936 387361867 /nfs/dbraw/zinc/36/18/67/387361867.db2.gz XRIYINQPHRDCHV-JGVFFNPUSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)CCOC1CNC1 ZINC000515300937 387361702 /nfs/dbraw/zinc/36/17/02/387361702.db2.gz XRIYINQPHRDCHV-SFYZADRCSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)CCOC1CNC1 ZINC000515300938 256740502 /nfs/dbraw/zinc/74/05/02/256740502.db2.gz XRIYINQPHRDCHV-YUMQZZPRSA-N 1 3 215.297 -0.783 20 0 BBADHO CC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000515351671 387371273 /nfs/dbraw/zinc/37/12/73/387371273.db2.gz QKRGVYOINOPLSL-DTWKUNHWSA-N 1 3 215.297 -0.782 20 0 BBADHO CC[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000515351672 387370897 /nfs/dbraw/zinc/37/08/97/387370897.db2.gz QKRGVYOINOPLSL-RKDXNWHRSA-N 1 3 215.297 -0.782 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000515433337 387379322 /nfs/dbraw/zinc/37/93/22/387379322.db2.gz RRZCHCGOEFCHKO-QWRGUYRKSA-N 1 3 240.351 -0.900 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000515433338 387379832 /nfs/dbraw/zinc/37/98/32/387379832.db2.gz RRZCHCGOEFCHKO-WDEREUQCSA-N 1 3 240.351 -0.900 20 0 BBADHO COC[C@@]1(CNC(=O)C2(N)CC2)CCC[NH2+]1 ZINC000515637793 387404799 /nfs/dbraw/zinc/40/47/99/387404799.db2.gz YEYLPNAAFBYRIQ-JTQLQIEISA-N 1 3 227.308 -0.638 20 0 BBADHO COC[C@]1(CNC(=O)C2(N)CC2)CCC[NH2+]1 ZINC000515637794 387404721 /nfs/dbraw/zinc/40/47/21/387404721.db2.gz YEYLPNAAFBYRIQ-SNVBAGLBSA-N 1 3 227.308 -0.638 20 0 BBADHO C[NH2+]CCCC(=O)N1CCN(C)C[C@@H]1CN ZINC000515841896 387433916 /nfs/dbraw/zinc/43/39/16/387433916.db2.gz GEDPTPMBOBYOFM-JTQLQIEISA-N 1 3 228.340 -0.913 20 0 BBADHO C[NH2+]CCCC(=O)N1CCN(C)C[C@H]1CN ZINC000515841900 387434148 /nfs/dbraw/zinc/43/41/48/387434148.db2.gz GEDPTPMBOBYOFM-SNVBAGLBSA-N 1 3 228.340 -0.913 20 0 BBADHO CCCN(C)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000515843312 387433764 /nfs/dbraw/zinc/43/37/64/387433764.db2.gz ZZECJAABXKXWJW-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO CCCN(C)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000515843313 387432642 /nfs/dbraw/zinc/43/26/42/387432642.db2.gz ZZECJAABXKXWJW-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO COCCNCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000515847879 387434996 /nfs/dbraw/zinc/43/49/96/387434996.db2.gz QHOCBNPBFGCFGW-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO COCCNCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000515847880 387434967 /nfs/dbraw/zinc/43/49/67/387434967.db2.gz QHOCBNPBFGCFGW-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO NC(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000516061066 387452198 /nfs/dbraw/zinc/45/21/98/387452198.db2.gz ROHCVIJFUGKCAV-DSYKOEDSSA-N 1 3 237.225 -0.446 20 0 BBADHO NC(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000516061067 387452260 /nfs/dbraw/zinc/45/22/60/387452260.db2.gz ROHCVIJFUGKCAV-XVMARJQXSA-N 1 3 237.225 -0.446 20 0 BBADHO NC1(C(=O)NCCCN2CC[NH2+]CC2)CCC1 ZINC000516061081 387452470 /nfs/dbraw/zinc/45/24/70/387452470.db2.gz TWTVXVRNMPDDEX-UHFFFAOYSA-N 1 3 240.351 -0.721 20 0 BBADHO CC(C)N(C)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516179873 387468530 /nfs/dbraw/zinc/46/85/30/387468530.db2.gz KPNUXACFGUPENN-LLVKDONJSA-N 1 3 242.367 -0.572 20 0 BBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H](N)C1CCC1 ZINC000516180947 387468850 /nfs/dbraw/zinc/46/88/50/387468850.db2.gz UGWQVSMCHPFCCC-GHMZBOCLSA-N 1 3 240.351 -0.866 20 0 BBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H](N)C1CCC1 ZINC000516180948 387469631 /nfs/dbraw/zinc/46/96/31/387469631.db2.gz UGWQVSMCHPFCCC-MNOVXSKESA-N 1 3 240.351 -0.866 20 0 BBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H](N)C1CCC1 ZINC000516180949 387467800 /nfs/dbraw/zinc/46/78/00/387467800.db2.gz UGWQVSMCHPFCCC-QWRGUYRKSA-N 1 3 240.351 -0.866 20 0 BBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H](N)C1CCC1 ZINC000516180950 387467955 /nfs/dbraw/zinc/46/79/55/387467955.db2.gz UGWQVSMCHPFCCC-WDEREUQCSA-N 1 3 240.351 -0.866 20 0 BBADHO C[C@H]1NCCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000516195086 387472538 /nfs/dbraw/zinc/47/25/38/387472538.db2.gz LATAPNPPJRJHEH-BBBLOLIVSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@H]1NCCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H]1C ZINC000516195087 387472367 /nfs/dbraw/zinc/47/23/67/387472367.db2.gz LATAPNPPJRJHEH-UTLUCORTSA-N 1 3 226.324 -0.260 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000516275339 387490592 /nfs/dbraw/zinc/49/05/92/387490592.db2.gz LBZVLKSOKACFPK-HTQZYQBOSA-N 1 3 215.297 -0.783 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000516275343 387490229 /nfs/dbraw/zinc/49/02/29/387490229.db2.gz LBZVLKSOKACFPK-JGVFFNPUSA-N 1 3 215.297 -0.783 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000516275344 387490180 /nfs/dbraw/zinc/49/01/80/387490180.db2.gz LBZVLKSOKACFPK-SFYZADRCSA-N 1 3 215.297 -0.783 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000516275346 387489850 /nfs/dbraw/zinc/48/98/50/387489850.db2.gz LBZVLKSOKACFPK-YUMQZZPRSA-N 1 3 215.297 -0.783 20 0 BBADHO COCCNCCNC(=O)CC1(C[NH3+])CC1 ZINC000516287584 387495428 /nfs/dbraw/zinc/49/54/28/387495428.db2.gz CHHSJGXEOMXOIE-UHFFFAOYSA-N 1 3 229.324 -0.532 20 0 BBADHO COCCCN(C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516296880 387496642 /nfs/dbraw/zinc/49/66/42/387496642.db2.gz LTPGZTLOXSNPDT-PHIMTYICSA-N 1 3 243.351 -0.192 20 0 BBADHO O=C(NCCNc1ccncc1)[C@H]1CC[NH2+]1 ZINC000516461494 387512323 /nfs/dbraw/zinc/51/23/23/387512323.db2.gz RTBPXKVDUFUNGU-SNVBAGLBSA-N 1 3 220.276 -0.607 20 0 BBADHO NCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000516470289 387514524 /nfs/dbraw/zinc/51/45/24/387514524.db2.gz MNNMNPIIGGIXAA-NXEZZACHSA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000516470290 387513758 /nfs/dbraw/zinc/51/37/58/387513758.db2.gz MNNMNPIIGGIXAA-UWVGGRQHSA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000516470291 256778694 /nfs/dbraw/zinc/77/86/94/256778694.db2.gz MNNMNPIIGGIXAA-VHSXEESVSA-N 1 3 211.309 -0.064 20 0 BBADHO NCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000516470292 256778233 /nfs/dbraw/zinc/77/82/33/256778233.db2.gz MNNMNPIIGGIXAA-ZJUUUORDSA-N 1 3 211.309 -0.064 20 0 BBADHO COCCNCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000516568754 388349445 /nfs/dbraw/zinc/34/94/45/388349445.db2.gz XSVXFVYKKQPRIS-LLVKDONJSA-N 1 3 243.351 -0.368 20 0 BBADHO COCCNCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000516568755 388349562 /nfs/dbraw/zinc/34/95/62/388349562.db2.gz XSVXFVYKKQPRIS-NSHDSACASA-N 1 3 243.351 -0.368 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000516768666 388515587 /nfs/dbraw/zinc/51/55/87/388515587.db2.gz PJINMTNNTACYEA-ZJUUUORDSA-N 1 3 227.308 -0.957 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000516925417 388524433 /nfs/dbraw/zinc/52/44/33/388524433.db2.gz OZJLGVPDSJOOLZ-NXEZZACHSA-N 1 3 229.324 -0.521 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000516925418 388524646 /nfs/dbraw/zinc/52/46/46/388524646.db2.gz OZJLGVPDSJOOLZ-UWVGGRQHSA-N 1 3 229.324 -0.521 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000516925419 388525109 /nfs/dbraw/zinc/52/51/09/388525109.db2.gz OZJLGVPDSJOOLZ-VHSXEESVSA-N 1 3 229.324 -0.521 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000516925420 388525271 /nfs/dbraw/zinc/52/52/71/388525271.db2.gz OZJLGVPDSJOOLZ-ZJUUUORDSA-N 1 3 229.324 -0.521 20 0 BBADHO C[NH2+]C[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000516926029 388525220 /nfs/dbraw/zinc/52/52/20/388525220.db2.gz UOLPWIWOYQWGRT-BQBZGAKWSA-N 1 3 239.241 -0.056 20 0 BBADHO C[NH2+]C[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000516926030 388525315 /nfs/dbraw/zinc/52/53/15/388525315.db2.gz UOLPWIWOYQWGRT-NKWVEPMBSA-N 1 3 239.241 -0.056 20 0 BBADHO C[NH2+]C[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000516926031 388525043 /nfs/dbraw/zinc/52/50/43/388525043.db2.gz UOLPWIWOYQWGRT-RNFRBKRXSA-N 1 3 239.241 -0.056 20 0 BBADHO C[NH2+]C[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000516926032 388524902 /nfs/dbraw/zinc/52/49/02/388524902.db2.gz UOLPWIWOYQWGRT-RQJHMYQMSA-N 1 3 239.241 -0.056 20 0 BBADHO C[C@H](NC1CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516926178 388524362 /nfs/dbraw/zinc/52/43/62/388524362.db2.gz COEZGASFXKDOGS-BEYHFKMWSA-N 1 3 209.293 -0.539 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516926179 256806637 /nfs/dbraw/zinc/80/66/37/256806637.db2.gz COEZGASFXKDOGS-PRQTWWFRSA-N 1 3 209.293 -0.539 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000516926467 388525281 /nfs/dbraw/zinc/52/52/81/388525281.db2.gz OOEAUBSWTBBZNY-GXSJLCMTSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000516926468 256806770 /nfs/dbraw/zinc/80/67/70/256806770.db2.gz OOEAUBSWTBBZNY-KOLCDFICSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000516926469 388524323 /nfs/dbraw/zinc/52/43/23/388524323.db2.gz OOEAUBSWTBBZNY-MWLCHTKSSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000516926470 256806299 /nfs/dbraw/zinc/80/62/99/256806299.db2.gz OOEAUBSWTBBZNY-ONGXEEELSA-N 1 3 241.335 -0.378 20 0 BBADHO C[NH2+]CC1CCN([C@H]2CCNC2=O)CC1 ZINC000517031453 388533320 /nfs/dbraw/zinc/53/33/20/388533320.db2.gz DEQRIAIXMMONGU-JTQLQIEISA-N 1 3 211.309 -0.194 20 0 BBADHO C[NH2+]CC1CCN([C@@H]2CCNC2=O)CC1 ZINC000517031456 388533261 /nfs/dbraw/zinc/53/32/61/388533261.db2.gz DEQRIAIXMMONGU-SNVBAGLBSA-N 1 3 211.309 -0.194 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNc1ccncc1 ZINC000517134456 388539469 /nfs/dbraw/zinc/53/94/69/388539469.db2.gz ODTIYZMZTXRRIR-VHSXEESVSA-N 1 3 220.276 -0.621 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)CCOC1CNC1 ZINC000517141861 388539452 /nfs/dbraw/zinc/53/94/52/388539452.db2.gz DXGKBQPVQNTQCM-SECBINFHSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)CCOC1CNC1 ZINC000517141862 388539880 /nfs/dbraw/zinc/53/98/80/388539880.db2.gz DXGKBQPVQNTQCM-VIFPVBQESA-N 1 3 229.324 -0.392 20 0 BBADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC000517149425 388539964 /nfs/dbraw/zinc/53/99/64/388539964.db2.gz XMTFMNIZDYVABP-JTQLQIEISA-N 1 3 243.351 -0.144 20 0 BBADHO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CNCCO1 ZINC000517149426 256816868 /nfs/dbraw/zinc/81/68/68/256816868.db2.gz XMTFMNIZDYVABP-SNVBAGLBSA-N 1 3 243.351 -0.144 20 0 BBADHO CC[C@H](N)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000517165974 388540546 /nfs/dbraw/zinc/54/05/46/388540546.db2.gz SYSLCUAUQMSODV-NSHDSACASA-N 1 3 243.351 -0.049 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC000517177559 388540751 /nfs/dbraw/zinc/54/07/51/388540751.db2.gz WFLPRBMQFYMCLL-UWVGGRQHSA-N 1 3 238.335 -0.116 20 0 BBADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1CC[NH2+]C1 ZINC000517177560 388541158 /nfs/dbraw/zinc/54/11/58/388541158.db2.gz WFLPRBMQFYMCLL-VHSXEESVSA-N 1 3 238.335 -0.116 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000517369038 388547760 /nfs/dbraw/zinc/54/77/60/388547760.db2.gz WNHNULCRCKLZKY-AXFHLTTASA-N 1 3 241.335 -0.536 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000517369039 388548212 /nfs/dbraw/zinc/54/82/12/388548212.db2.gz WNHNULCRCKLZKY-HBNTYKKESA-N 1 3 241.335 -0.536 20 0 BBADHO C[C@@]1(F)CNCCN(CCN2CC[NH2+]CC2)C1 ZINC000517567598 388554238 /nfs/dbraw/zinc/55/42/38/388554238.db2.gz SUIOGFMKCXBUNI-GFCCVEGCSA-N 1 3 244.358 -0.475 20 0 BBADHO C[C@]1(F)CNCCN(CCN2CC[NH2+]CC2)C1 ZINC000517567603 256828780 /nfs/dbraw/zinc/82/87/80/256828780.db2.gz SUIOGFMKCXBUNI-LBPRGKRZSA-N 1 3 244.358 -0.475 20 0 BBADHO CN(C(=O)CCOC1CNC1)C1CC[NH2+]CC1 ZINC000517739794 322810089 /nfs/dbraw/zinc/81/00/89/322810089.db2.gz ZADYAKGMIUDJRL-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO NC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000517938387 384585331 /nfs/dbraw/zinc/58/53/31/384585331.db2.gz RKHJLTYBTDQZMM-AOOOYVTPSA-N 1 3 223.320 -0.064 20 0 BBADHO [NH3+][C@H](CNC(=O)C[C@@H]1CSCCN1)C1CC1 ZINC000518372793 385002776 /nfs/dbraw/zinc/00/27/76/385002776.db2.gz GXHQTYHUOQCCBZ-NXEZZACHSA-N 1 3 243.376 -0.065 20 0 BBADHO [NH3+][C@H](CNC(=O)C[C@H]1CSCCN1)C1CC1 ZINC000518372795 256568907 /nfs/dbraw/zinc/56/89/07/256568907.db2.gz GXHQTYHUOQCCBZ-VHSXEESVSA-N 1 3 243.376 -0.065 20 0 BBADHO NC1(C(=O)NCC2=CC[NH2+]CC2)CCC1 ZINC000518373535 385004733 /nfs/dbraw/zinc/00/47/33/385004733.db2.gz XSSFDAYDPCBDSN-UHFFFAOYSA-N 1 3 209.293 -0.096 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000518396966 385057494 /nfs/dbraw/zinc/05/74/94/385057494.db2.gz KUPRCOOLIALLSW-BBBLOLIVSA-N 1 3 211.309 -0.338 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000518396967 385057030 /nfs/dbraw/zinc/05/70/30/385057030.db2.gz KUPRCOOLIALLSW-KXUCPTDWSA-N 1 3 211.309 -0.338 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000518396968 385056829 /nfs/dbraw/zinc/05/68/29/385056829.db2.gz KUPRCOOLIALLSW-OPRDCNLKSA-N 1 3 211.309 -0.338 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000518396969 385056637 /nfs/dbraw/zinc/05/66/37/385056637.db2.gz KUPRCOOLIALLSW-UTLUCORTSA-N 1 3 211.309 -0.338 20 0 BBADHO COCCNCC(=O)NC(C)(C)CC[NH3+] ZINC000518537141 256579012 /nfs/dbraw/zinc/57/90/12/256579012.db2.gz XMKFXVKRLAPQLW-UHFFFAOYSA-N 1 3 217.313 -0.534 20 0 BBADHO CO[C@H](CN)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000518756383 323048063 /nfs/dbraw/zinc/04/80/63/323048063.db2.gz HKJOMPIUSHZNQF-NXEZZACHSA-N 1 3 227.308 -0.687 20 0 BBADHO CO[C@@H](CN)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000518756384 323047968 /nfs/dbraw/zinc/04/79/68/323047968.db2.gz HKJOMPIUSHZNQF-UWVGGRQHSA-N 1 3 227.308 -0.687 20 0 BBADHO CO[C@H](CN)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000518756385 323048011 /nfs/dbraw/zinc/04/80/11/323048011.db2.gz HKJOMPIUSHZNQF-VHSXEESVSA-N 1 3 227.308 -0.687 20 0 BBADHO CO[C@@H](CN)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000518756386 323047989 /nfs/dbraw/zinc/04/79/89/323047989.db2.gz HKJOMPIUSHZNQF-ZJUUUORDSA-N 1 3 227.308 -0.687 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N(CCN(C)C)C1CC1 ZINC000518767608 385476128 /nfs/dbraw/zinc/47/61/28/385476128.db2.gz RUSZHCCQPYFQKN-LLVKDONJSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N(CCN(C)C)C1CC1 ZINC000518767609 385475507 /nfs/dbraw/zinc/47/55/07/385475507.db2.gz RUSZHCCQPYFQKN-NSHDSACASA-N 1 3 243.351 -0.097 20 0 BBADHO N[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000518768189 346829260 /nfs/dbraw/zinc/82/92/60/346829260.db2.gz DUCSGHCEOHEJRU-AXFHLTTASA-N 1 3 223.320 -0.208 20 0 BBADHO N[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000518768190 346829303 /nfs/dbraw/zinc/82/93/03/346829303.db2.gz DUCSGHCEOHEJRU-OUAUKWLOSA-N 1 3 223.320 -0.208 20 0 BBADHO CO[C@H](CN)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000519140441 387018340 /nfs/dbraw/zinc/01/83/40/387018340.db2.gz FVQAVYXAZKEWAU-MRVPVSSYSA-N 1 3 215.297 -0.700 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000519140442 387018923 /nfs/dbraw/zinc/01/89/23/387018923.db2.gz FVQAVYXAZKEWAU-QMMMGPOBSA-N 1 3 215.297 -0.700 20 0 BBADHO O=C(CNC1CC1)NCCCN1CC[NH2+]CC1 ZINC000519643163 386516471 /nfs/dbraw/zinc/51/64/71/386516471.db2.gz HXOHYEXWEXXFDM-UHFFFAOYSA-N 1 3 240.351 -0.850 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000519643409 386516820 /nfs/dbraw/zinc/51/68/20/386516820.db2.gz IOXIGCKLFBRIQU-AEJSXWLSSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000519643421 386516371 /nfs/dbraw/zinc/51/63/71/386516371.db2.gz IOXIGCKLFBRIQU-BBBLOLIVSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000519643427 386516440 /nfs/dbraw/zinc/51/64/40/386516440.db2.gz IOXIGCKLFBRIQU-GUBZILKMSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000519643430 386517556 /nfs/dbraw/zinc/51/75/56/386517556.db2.gz IOXIGCKLFBRIQU-KXUCPTDWSA-N 1 3 229.324 -0.441 20 0 BBADHO CC[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000519645661 386523454 /nfs/dbraw/zinc/52/34/54/386523454.db2.gz LZBKUVYXDLDOFV-JTQLQIEISA-N 1 3 228.340 -0.865 20 0 BBADHO COCC1(CNC(=O)[C@H](C)N)CC[NH2+]CC1 ZINC000519712755 386533628 /nfs/dbraw/zinc/53/36/28/386533628.db2.gz XIDRTJLQCQAQBU-VIFPVBQESA-N 1 3 229.324 -0.534 20 0 BBADHO [NH3+]CCCC(=O)N[C@@H]1CNCCC1(F)F ZINC000519715517 386533535 /nfs/dbraw/zinc/53/35/35/386533535.db2.gz QVFHOIVWKIIKEF-SSDOTTSWSA-N 1 3 221.251 -0.161 20 0 BBADHO [NH3+]CCCC(=O)N[C@H]1CNCCC1(F)F ZINC000519715676 386534661 /nfs/dbraw/zinc/53/46/61/386534661.db2.gz QVFHOIVWKIIKEF-ZETCQYMHSA-N 1 3 221.251 -0.161 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)CNC[C@H]1CCCO1 ZINC000519768604 386552539 /nfs/dbraw/zinc/55/25/39/386552539.db2.gz LRCKJKXVOVLFMN-NXEZZACHSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)CNC[C@@H]1CCCO1 ZINC000519768606 256659558 /nfs/dbraw/zinc/65/95/58/256659558.db2.gz LRCKJKXVOVLFMN-UWVGGRQHSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)CNC[C@H]1CCCO1 ZINC000519768607 386550877 /nfs/dbraw/zinc/55/08/77/386550877.db2.gz LRCKJKXVOVLFMN-VHSXEESVSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)CNC[C@@H]1CCCO1 ZINC000519768610 256659477 /nfs/dbraw/zinc/65/94/77/256659477.db2.gz LRCKJKXVOVLFMN-ZJUUUORDSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000519768993 386552799 /nfs/dbraw/zinc/55/27/99/386552799.db2.gz MMXTUOAIUGIVHB-GUBZILKMSA-N 1 3 228.340 -0.929 20 0 BBADHO C[C@@H](C(=O)N1CCN(C)C[C@H]1CN)[C@H](C)[NH3+] ZINC000519769027 386550757 /nfs/dbraw/zinc/55/07/57/386550757.db2.gz MMXTUOAIUGIVHB-KXUCPTDWSA-N 1 3 228.340 -0.929 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000519769031 386552656 /nfs/dbraw/zinc/55/26/56/386552656.db2.gz MMXTUOAIUGIVHB-LPEHRKFASA-N 1 3 228.340 -0.929 20 0 BBADHO C[C@@H](C(=O)N1CCN(C)C[C@@H]1CN)[C@H](C)[NH3+] ZINC000519769033 386550791 /nfs/dbraw/zinc/55/07/91/386550791.db2.gz MMXTUOAIUGIVHB-UTLUCORTSA-N 1 3 228.340 -0.929 20 0 BBADHO CN(CCC[NH3+])C[C@H]1CCCN(C(=O)CN)C1 ZINC000519778031 386549670 /nfs/dbraw/zinc/54/96/70/386549670.db2.gz XWZLSBPCSKFVNQ-LLVKDONJSA-N 1 3 242.367 -0.536 20 0 BBADHO CN(CCC[NH3+])C[C@@H]1CCCN(C(=O)CN)C1 ZINC000519778059 386549573 /nfs/dbraw/zinc/54/95/73/386549573.db2.gz XWZLSBPCSKFVNQ-NSHDSACASA-N 1 3 242.367 -0.536 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000519823922 386563373 /nfs/dbraw/zinc/56/33/73/386563373.db2.gz GVMKAJADUMVJOQ-AEJSXWLSSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000519823926 386562586 /nfs/dbraw/zinc/56/25/86/386562586.db2.gz GVMKAJADUMVJOQ-BBBLOLIVSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000519823928 386561754 /nfs/dbraw/zinc/56/17/54/386561754.db2.gz GVMKAJADUMVJOQ-GUBZILKMSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000519823932 386562664 /nfs/dbraw/zinc/56/26/64/386562664.db2.gz GVMKAJADUMVJOQ-UTLUCORTSA-N 1 3 229.324 -0.441 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCN(C)C ZINC000519824062 386562855 /nfs/dbraw/zinc/56/28/55/386562855.db2.gz HTMKPDVOIOGOHN-BDAKNGLRSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCN(C)C ZINC000519824102 256660973 /nfs/dbraw/zinc/66/09/73/256660973.db2.gz HTMKPDVOIOGOHN-DTWKUNHWSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCN(C)C ZINC000519824106 386562473 /nfs/dbraw/zinc/56/24/73/386562473.db2.gz HTMKPDVOIOGOHN-IUCAKERBSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCN(C)C ZINC000519824112 386562611 /nfs/dbraw/zinc/56/26/11/386562611.db2.gz HTMKPDVOIOGOHN-RKDXNWHRSA-N 1 3 216.329 -0.027 20 0 BBADHO COCCNCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000519829290 386565088 /nfs/dbraw/zinc/56/50/88/386565088.db2.gz RSMRJGLKDJRDFD-JTQLQIEISA-N 1 3 231.340 -0.144 20 0 BBADHO COCCNCC(=O)N[C@H](C)CCCC[NH3+] ZINC000519829317 386565929 /nfs/dbraw/zinc/56/59/29/386565929.db2.gz RSMRJGLKDJRDFD-SNVBAGLBSA-N 1 3 231.340 -0.144 20 0 BBADHO CN(C(=O)CNC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000520218077 386602072 /nfs/dbraw/zinc/60/20/72/386602072.db2.gz BDAUUHGDESOESQ-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO CN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000520218078 386602083 /nfs/dbraw/zinc/60/20/83/386602083.db2.gz BDAUUHGDESOESQ-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO CN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000520218079 386603041 /nfs/dbraw/zinc/60/30/41/386603041.db2.gz BDAUUHGDESOESQ-QWRGUYRKSA-N 1 3 241.335 -0.425 20 0 BBADHO CN(C(=O)CNC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000520218080 256665362 /nfs/dbraw/zinc/66/53/62/256665362.db2.gz BDAUUHGDESOESQ-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@H]1CCOC1 ZINC000520240176 256667031 /nfs/dbraw/zinc/66/70/31/256667031.db2.gz NOFDDCITPMPLLG-GHMZBOCLSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000520240176 256667030 /nfs/dbraw/zinc/66/70/30/256667030.db2.gz NOFDDCITPMPLLG-GHMZBOCLSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@H+](C)C[C@H]1CCOC1 ZINC000520240176 256667029 /nfs/dbraw/zinc/66/70/29/256667029.db2.gz NOFDDCITPMPLLG-GHMZBOCLSA-N 1 3 216.325 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN(C)C[C@H]1CCOC1 ZINC000520240177 386616367 /nfs/dbraw/zinc/61/63/67/386616367.db2.gz NOFDDCITPMPLLG-MNOVXSKESA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000520240177 386616363 /nfs/dbraw/zinc/61/63/63/386616363.db2.gz NOFDDCITPMPLLG-MNOVXSKESA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+](C)C[C@H]1CCOC1 ZINC000520240177 386616358 /nfs/dbraw/zinc/61/63/58/386616358.db2.gz NOFDDCITPMPLLG-MNOVXSKESA-N 1 3 216.325 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN(C)C[C@@H]1CCOC1 ZINC000520240178 386616451 /nfs/dbraw/zinc/61/64/51/386616451.db2.gz NOFDDCITPMPLLG-QWRGUYRKSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000520240178 386616449 /nfs/dbraw/zinc/61/64/49/386616449.db2.gz NOFDDCITPMPLLG-QWRGUYRKSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000520240178 386616444 /nfs/dbraw/zinc/61/64/44/386616444.db2.gz NOFDDCITPMPLLG-QWRGUYRKSA-N 1 3 216.325 -0.075 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@@H]1CCOC1 ZINC000520240179 386616315 /nfs/dbraw/zinc/61/63/15/386616315.db2.gz NOFDDCITPMPLLG-WDEREUQCSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000520240179 386616310 /nfs/dbraw/zinc/61/63/10/386616310.db2.gz NOFDDCITPMPLLG-WDEREUQCSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000520240179 386616307 /nfs/dbraw/zinc/61/63/07/386616307.db2.gz NOFDDCITPMPLLG-WDEREUQCSA-N 1 3 216.325 -0.075 20 0 BBADHO CN1CCNC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000520252610 386619560 /nfs/dbraw/zinc/61/95/60/386619560.db2.gz ALAKCOSXNKVOAA-GRYCIOLGSA-N 1 3 226.368 -0.251 20 0 BBADHO CN1CCNC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000520252611 386619036 /nfs/dbraw/zinc/61/90/36/386619036.db2.gz ALAKCOSXNKVOAA-IJLUTSLNSA-N 1 3 226.368 -0.251 20 0 BBADHO CN1CCNC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000520252612 386619900 /nfs/dbraw/zinc/61/99/00/386619900.db2.gz ALAKCOSXNKVOAA-QJPTWQEYSA-N 1 3 226.368 -0.251 20 0 BBADHO CN1CCNC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000520252613 386619391 /nfs/dbraw/zinc/61/93/91/386619391.db2.gz ALAKCOSXNKVOAA-SDDRHHMPSA-N 1 3 226.368 -0.251 20 0 BBADHO CC(C)C[C@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000520405843 386667460 /nfs/dbraw/zinc/66/74/60/386667460.db2.gz ZZAMVYJSRCZTST-MNOVXSKESA-N 1 3 243.351 -0.064 20 0 BBADHO CC(C)C[C@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000520405844 386667661 /nfs/dbraw/zinc/66/76/61/386667661.db2.gz ZZAMVYJSRCZTST-QWRGUYRKSA-N 1 3 243.351 -0.064 20 0 BBADHO CC(C)OCC[C@@H](O)CNC[C@H](O)C[NH+](C)C ZINC000521045164 388561100 /nfs/dbraw/zinc/56/11/00/388561100.db2.gz KFXHDIPXWBBTHX-NEPJUHHUSA-N 1 3 248.367 -0.326 20 0 BBADHO CC(C)OCC[C@H](O)CNC[C@@H](O)C[NH+](C)C ZINC000521045165 388560740 /nfs/dbraw/zinc/56/07/40/388560740.db2.gz KFXHDIPXWBBTHX-NWDGAFQWSA-N 1 3 248.367 -0.326 20 0 BBADHO CC(C)OCC[C@H](O)CNC[C@H](O)C[NH+](C)C ZINC000521045166 388560908 /nfs/dbraw/zinc/56/09/08/388560908.db2.gz KFXHDIPXWBBTHX-RYUDHWBXSA-N 1 3 248.367 -0.326 20 0 BBADHO CC(C)OCC[C@@H](O)CNC[C@@H](O)C[NH+](C)C ZINC000521045167 388561144 /nfs/dbraw/zinc/56/11/44/388561144.db2.gz KFXHDIPXWBBTHX-VXGBXAGGSA-N 1 3 248.367 -0.326 20 0 BBADHO C[C@](C[NH3+])(NC(=O)CCOC1CNC1)C1CC1 ZINC000521226992 388566053 /nfs/dbraw/zinc/56/60/53/388566053.db2.gz SCTYLMBRLKJPOL-GFCCVEGCSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)CCOC1CNC1)C1CC1 ZINC000521226994 388565197 /nfs/dbraw/zinc/56/51/97/388565197.db2.gz SCTYLMBRLKJPOL-LBPRGKRZSA-N 1 3 241.335 -0.392 20 0 BBADHO CN[C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000521897821 388639234 /nfs/dbraw/zinc/63/92/34/388639234.db2.gz IWPMFGRBQKGSNQ-NTSWFWBYSA-N 1 3 227.230 -0.010 20 0 BBADHO CN[C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000521897824 388639744 /nfs/dbraw/zinc/63/97/44/388639744.db2.gz IWPMFGRBQKGSNQ-WDSKDSINSA-N 1 3 227.230 -0.010 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000522000383 388673950 /nfs/dbraw/zinc/67/39/50/388673950.db2.gz RBCVWKVPRGHOCJ-AEJSXWLSSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000522000384 388674019 /nfs/dbraw/zinc/67/40/19/388674019.db2.gz RBCVWKVPRGHOCJ-GUBZILKMSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000522000385 388674054 /nfs/dbraw/zinc/67/40/54/388674054.db2.gz RBCVWKVPRGHOCJ-IVZWLZJFSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000522000386 388673764 /nfs/dbraw/zinc/67/37/64/388673764.db2.gz RBCVWKVPRGHOCJ-LPEHRKFASA-N 1 3 227.308 -0.911 20 0 BBADHO C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1COCCN1 ZINC000527532739 387622721 /nfs/dbraw/zinc/62/27/21/387622721.db2.gz OIFYMNPIPMMOLQ-GHMZBOCLSA-N 1 3 213.325 -0.294 20 0 BBADHO C(N[C@@H]1CCC[NH2+]CC1)[C@H]1COCCN1 ZINC000527532740 387623569 /nfs/dbraw/zinc/62/35/69/387623569.db2.gz OIFYMNPIPMMOLQ-MNOVXSKESA-N 1 3 213.325 -0.294 20 0 BBADHO C(N[C@H]1CCC[NH2+]CC1)[C@H]1COCCN1 ZINC000527532742 387622389 /nfs/dbraw/zinc/62/23/89/387622389.db2.gz OIFYMNPIPMMOLQ-QWRGUYRKSA-N 1 3 213.325 -0.294 20 0 BBADHO C(N[C@H]1CCC[NH2+]CC1)[C@@H]1COCCN1 ZINC000527532744 387622352 /nfs/dbraw/zinc/62/23/52/387622352.db2.gz OIFYMNPIPMMOLQ-WDEREUQCSA-N 1 3 213.325 -0.294 20 0 BBADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1COCCN1 ZINC000527533971 387626731 /nfs/dbraw/zinc/62/67/31/387626731.db2.gz YIKIUIJUJQQJPR-AYLPWXGPSA-N 1 3 225.336 -0.153 20 0 BBADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1COCCN1 ZINC000527533973 387627561 /nfs/dbraw/zinc/62/75/61/387627561.db2.gz YIKIUIJUJQQJPR-MBYGNEARSA-N 1 3 225.336 -0.153 20 0 BBADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530221328 388632730 /nfs/dbraw/zinc/63/27/30/388632730.db2.gz DKDRGLXNLSSAGU-GMTAPVOTSA-N 1 3 213.325 -0.438 20 0 BBADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530221339 388633304 /nfs/dbraw/zinc/63/33/04/388633304.db2.gz DKDRGLXNLSSAGU-MXWKQRLJSA-N 1 3 213.325 -0.438 20 0 BBADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000530221341 388632785 /nfs/dbraw/zinc/63/27/85/388632785.db2.gz DKDRGLXNLSSAGU-OUAUKWLOSA-N 1 3 213.325 -0.438 20 0 BBADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000530221343 388632754 /nfs/dbraw/zinc/63/27/54/388632754.db2.gz DKDRGLXNLSSAGU-VWYCJHECSA-N 1 3 213.325 -0.438 20 0 BBADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530223438 388634095 /nfs/dbraw/zinc/63/40/95/388634095.db2.gz JQUQSUAZVLVETR-AXFHLTTASA-N 1 3 213.325 -0.308 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1COCCN1 ZINC000530223438 388634094 /nfs/dbraw/zinc/63/40/94/388634094.db2.gz JQUQSUAZVLVETR-AXFHLTTASA-N 1 3 213.325 -0.308 20 0 BBADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000530223441 388634224 /nfs/dbraw/zinc/63/42/24/388634224.db2.gz JQUQSUAZVLVETR-DCAQKATOSA-N 1 3 213.325 -0.308 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1COCCN1 ZINC000530223441 388634222 /nfs/dbraw/zinc/63/42/22/388634222.db2.gz JQUQSUAZVLVETR-DCAQKATOSA-N 1 3 213.325 -0.308 20 0 BBADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000530223442 388634025 /nfs/dbraw/zinc/63/40/25/388634025.db2.gz JQUQSUAZVLVETR-GARJFASQSA-N 1 3 213.325 -0.308 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1COCCN1 ZINC000530223442 388634024 /nfs/dbraw/zinc/63/40/24/388634024.db2.gz JQUQSUAZVLVETR-GARJFASQSA-N 1 3 213.325 -0.308 20 0 BBADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530223444 323218427 /nfs/dbraw/zinc/21/84/27/323218427.db2.gz JQUQSUAZVLVETR-HBNTYKKESA-N 1 3 213.325 -0.308 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1COCCN1 ZINC000530223444 323218426 /nfs/dbraw/zinc/21/84/26/323218426.db2.gz JQUQSUAZVLVETR-HBNTYKKESA-N 1 3 213.325 -0.308 20 0 BBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1COCCN1 ZINC000530225616 388635563 /nfs/dbraw/zinc/63/55/63/388635563.db2.gz UOYXRBQZVGSAGE-GRYCIOLGSA-N 1 3 227.352 -0.095 20 0 BBADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1COCCN1 ZINC000530225616 388635562 /nfs/dbraw/zinc/63/55/62/388635562.db2.gz UOYXRBQZVGSAGE-GRYCIOLGSA-N 1 3 227.352 -0.095 20 0 BBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1COCCN1 ZINC000530225617 388635378 /nfs/dbraw/zinc/63/53/78/388635378.db2.gz UOYXRBQZVGSAGE-IJLUTSLNSA-N 1 3 227.352 -0.095 20 0 BBADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1COCCN1 ZINC000530225617 388635377 /nfs/dbraw/zinc/63/53/77/388635377.db2.gz UOYXRBQZVGSAGE-IJLUTSLNSA-N 1 3 227.352 -0.095 20 0 BBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1COCCN1 ZINC000530225618 388635454 /nfs/dbraw/zinc/63/54/54/388635454.db2.gz UOYXRBQZVGSAGE-UTUOFQBUSA-N 1 3 227.352 -0.095 20 0 BBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1COCCN1 ZINC000530225618 388635452 /nfs/dbraw/zinc/63/54/52/388635452.db2.gz UOYXRBQZVGSAGE-UTUOFQBUSA-N 1 3 227.352 -0.095 20 0 BBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1COCCN1 ZINC000530225619 388635356 /nfs/dbraw/zinc/63/53/56/388635356.db2.gz UOYXRBQZVGSAGE-WOPDTQHZSA-N 1 3 227.352 -0.095 20 0 BBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1COCCN1 ZINC000530225619 388635354 /nfs/dbraw/zinc/63/53/54/388635354.db2.gz UOYXRBQZVGSAGE-WOPDTQHZSA-N 1 3 227.352 -0.095 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2COCCN2)C1 ZINC000530226555 324546107 /nfs/dbraw/zinc/54/61/07/324546107.db2.gz RXNPTBKSLZBXMC-GMTAPVOTSA-N 1 3 213.325 -0.166 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2COCCN2)C1 ZINC000530226556 324546243 /nfs/dbraw/zinc/54/62/43/324546243.db2.gz RXNPTBKSLZBXMC-MXWKQRLJSA-N 1 3 213.325 -0.166 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2COCCN2)C1 ZINC000530226557 388635314 /nfs/dbraw/zinc/63/53/14/388635314.db2.gz RXNPTBKSLZBXMC-OUAUKWLOSA-N 1 3 213.325 -0.166 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2COCCN2)C1 ZINC000530226558 388636007 /nfs/dbraw/zinc/63/60/07/388636007.db2.gz RXNPTBKSLZBXMC-VWYCJHECSA-N 1 3 213.325 -0.166 20 0 BBADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1COCCN1 ZINC000530226576 388635773 /nfs/dbraw/zinc/63/57/73/388635773.db2.gz SLODPFYUBZPDPH-GRYCIOLGSA-N 1 3 227.352 -0.048 20 0 BBADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1COCCN1 ZINC000530226577 388635107 /nfs/dbraw/zinc/63/51/07/388635107.db2.gz SLODPFYUBZPDPH-IJLUTSLNSA-N 1 3 227.352 -0.048 20 0 BBADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1COCCN1 ZINC000530226579 388635182 /nfs/dbraw/zinc/63/51/82/388635182.db2.gz SLODPFYUBZPDPH-UTUOFQBUSA-N 1 3 227.352 -0.048 20 0 BBADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1COCCN1 ZINC000530226580 388635324 /nfs/dbraw/zinc/63/53/24/388635324.db2.gz SLODPFYUBZPDPH-WOPDTQHZSA-N 1 3 227.352 -0.048 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1COCCN1 ZINC000530227205 388635722 /nfs/dbraw/zinc/63/57/22/388635722.db2.gz VXIACEQAKUWWFO-AEJSXWLSSA-N 1 3 201.314 -0.310 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1COCCN1 ZINC000530227206 324547801 /nfs/dbraw/zinc/54/78/01/324547801.db2.gz VXIACEQAKUWWFO-GUBZILKMSA-N 1 3 201.314 -0.310 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1COCCN1 ZINC000530227207 388635150 /nfs/dbraw/zinc/63/51/50/388635150.db2.gz VXIACEQAKUWWFO-IVZWLZJFSA-N 1 3 201.314 -0.310 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1COCCN1 ZINC000530227208 388635910 /nfs/dbraw/zinc/63/59/10/388635910.db2.gz VXIACEQAKUWWFO-LPEHRKFASA-N 1 3 201.314 -0.310 20 0 BBADHO C[C@@]1(CNC[C@@H]2COCCN2)CC[NH2+]C1 ZINC000530246850 388639627 /nfs/dbraw/zinc/63/96/27/388639627.db2.gz LDIHBCUOFNARME-GHMZBOCLSA-N 1 3 213.325 -0.436 20 0 BBADHO C[C@]1(CNC[C@@H]2COCCN2)CC[NH2+]C1 ZINC000530246851 388639510 /nfs/dbraw/zinc/63/95/10/388639510.db2.gz LDIHBCUOFNARME-MNOVXSKESA-N 1 3 213.325 -0.436 20 0 BBADHO C[C@]1(CNC[C@H]2COCCN2)CC[NH2+]C1 ZINC000530246852 388639490 /nfs/dbraw/zinc/63/94/90/388639490.db2.gz LDIHBCUOFNARME-QWRGUYRKSA-N 1 3 213.325 -0.436 20 0 BBADHO C[C@@]1(CNC[C@H]2COCCN2)CC[NH2+]C1 ZINC000530246853 388639752 /nfs/dbraw/zinc/63/97/52/388639752.db2.gz LDIHBCUOFNARME-WDEREUQCSA-N 1 3 213.325 -0.436 20 0 BBADHO C(NC[C@]12C[C@H]1C[NH2+]C2)[C@H]1COCCN1 ZINC000530247803 388639617 /nfs/dbraw/zinc/63/96/17/388639617.db2.gz ZKWKDYUUFLXJFV-GARJFASQSA-N 1 3 211.309 -0.826 20 0 BBADHO C(NC[C@@]12C[C@@H]1C[NH2+]C2)[C@H]1COCCN1 ZINC000530247805 388639451 /nfs/dbraw/zinc/63/94/51/388639451.db2.gz ZKWKDYUUFLXJFV-VWYCJHECSA-N 1 3 211.309 -0.826 20 0 BBADHO COCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357343 323088096 /nfs/dbraw/zinc/08/80/96/323088096.db2.gz YCYVPZNENMAUCN-UHFFFAOYSA-N 1 3 231.340 -0.415 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551848852 388643196 /nfs/dbraw/zinc/64/31/96/388643196.db2.gz UGWZIXUHWBQMFY-LLVKDONJSA-N 1 3 243.351 -0.368 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551848852 388643194 /nfs/dbraw/zinc/64/31/94/388643194.db2.gz UGWZIXUHWBQMFY-LLVKDONJSA-N 1 3 243.351 -0.368 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551848853 388643539 /nfs/dbraw/zinc/64/35/39/388643539.db2.gz UGWZIXUHWBQMFY-NSHDSACASA-N 1 3 243.351 -0.368 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000551848853 388643538 /nfs/dbraw/zinc/64/35/38/388643538.db2.gz UGWZIXUHWBQMFY-NSHDSACASA-N 1 3 243.351 -0.368 20 0 BBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552436898 388708494 /nfs/dbraw/zinc/70/84/94/388708494.db2.gz CNMIBOYQECHRDU-QWRGUYRKSA-N 1 3 243.351 -0.539 20 0 BBADHO CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000556723907 384464259 /nfs/dbraw/zinc/46/42/59/384464259.db2.gz FVRSFTWHQVRNQF-JTQLQIEISA-N 1 3 213.325 -0.042 20 0 BBADHO CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000556723907 384464253 /nfs/dbraw/zinc/46/42/53/384464253.db2.gz FVRSFTWHQVRNQF-JTQLQIEISA-N 1 3 213.325 -0.042 20 0 BBADHO CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000556723908 384465499 /nfs/dbraw/zinc/46/54/99/384465499.db2.gz FVRSFTWHQVRNQF-SNVBAGLBSA-N 1 3 213.325 -0.042 20 0 BBADHO CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000556723908 384465493 /nfs/dbraw/zinc/46/54/93/384465493.db2.gz FVRSFTWHQVRNQF-SNVBAGLBSA-N 1 3 213.325 -0.042 20 0 BBADHO NC(=O)NC(=O)CC[NH2+]CCCN1CCCC1 ZINC000558657327 398186490 /nfs/dbraw/zinc/18/64/90/398186490.db2.gz ZTTCHZOGECQFTA-UHFFFAOYSA-N 1 3 242.323 -0.353 20 0 BBADHO NC(=O)NC(=O)CCNCCC[NH+]1CCCC1 ZINC000558657327 398186486 /nfs/dbraw/zinc/18/64/86/398186486.db2.gz ZTTCHZOGECQFTA-UHFFFAOYSA-N 1 3 242.323 -0.353 20 0 BBADHO C[C@H]1CCN[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562809282 323031039 /nfs/dbraw/zinc/03/10/39/323031039.db2.gz KJGBEUQOQHGOOG-FBDQPXRJSA-N 1 3 223.320 -0.292 20 0 BBADHO C[C@@H]1CCN[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562809283 323031114 /nfs/dbraw/zinc/03/11/14/323031114.db2.gz KJGBEUQOQHGOOG-NZFPMDFQSA-N 1 3 223.320 -0.292 20 0 BBADHO C[C@H]1CCN[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562809284 323031056 /nfs/dbraw/zinc/03/10/56/323031056.db2.gz KJGBEUQOQHGOOG-QUARPLMYSA-N 1 3 223.320 -0.292 20 0 BBADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562809285 323031089 /nfs/dbraw/zinc/03/10/89/323031089.db2.gz KJGBEUQOQHGOOG-UVOCVTCTSA-N 1 3 223.320 -0.292 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000562973583 323077586 /nfs/dbraw/zinc/07/75/86/323077586.db2.gz OCLSSBCWZYHIKY-GXSJLCMTSA-N 1 3 229.324 -0.534 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000562973584 323077555 /nfs/dbraw/zinc/07/75/55/323077555.db2.gz OCLSSBCWZYHIKY-KOLCDFICSA-N 1 3 229.324 -0.534 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000562973585 323077589 /nfs/dbraw/zinc/07/75/89/323077589.db2.gz OCLSSBCWZYHIKY-MWLCHTKSSA-N 1 3 229.324 -0.534 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000562973586 323077596 /nfs/dbraw/zinc/07/75/96/323077596.db2.gz OCLSSBCWZYHIKY-ONGXEEELSA-N 1 3 229.324 -0.534 20 0 BBADHO [NH3+][C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000562973696 323077660 /nfs/dbraw/zinc/07/76/60/323077660.db2.gz RRPLHPPRRVTMHG-SECBINFHSA-N 1 3 227.308 -0.685 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000562973731 323077640 /nfs/dbraw/zinc/07/76/40/323077640.db2.gz XTGIUKVRWXWIQN-IVZWLZJFSA-N 1 3 229.324 -0.312 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000562973732 323077665 /nfs/dbraw/zinc/07/76/65/323077665.db2.gz XTGIUKVRWXWIQN-KXUCPTDWSA-N 1 3 229.324 -0.312 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000562973733 323077637 /nfs/dbraw/zinc/07/76/37/323077637.db2.gz XTGIUKVRWXWIQN-LPEHRKFASA-N 1 3 229.324 -0.312 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000562973734 323077651 /nfs/dbraw/zinc/07/76/51/323077651.db2.gz XTGIUKVRWXWIQN-OPRDCNLKSA-N 1 3 229.324 -0.312 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000562976186 323077706 /nfs/dbraw/zinc/07/77/06/323077706.db2.gz ZYBHCOIBMULGTQ-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000562976187 323077682 /nfs/dbraw/zinc/07/76/82/323077682.db2.gz ZYBHCOIBMULGTQ-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000562976188 323077717 /nfs/dbraw/zinc/07/77/17/323077717.db2.gz ZYBHCOIBMULGTQ-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000562976189 323077713 /nfs/dbraw/zinc/07/77/13/323077713.db2.gz ZYBHCOIBMULGTQ-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO COC[C@]1(CNC(=O)CNC2CC2)CCC[NH2+]1 ZINC000562979345 323077781 /nfs/dbraw/zinc/07/77/81/323077781.db2.gz PAKJRWAGTNGVHV-GFCCVEGCSA-N 1 3 241.335 -0.377 20 0 BBADHO COC[C@@]1(CNC(=O)CNC2CC2)CCC[NH2+]1 ZINC000562979350 323077794 /nfs/dbraw/zinc/07/77/94/323077794.db2.gz PAKJRWAGTNGVHV-LBPRGKRZSA-N 1 3 241.335 -0.377 20 0 BBADHO CC1(NC(=O)CCOC2CNC2)CC[NH2+]CC1 ZINC000562980318 323077918 /nfs/dbraw/zinc/07/79/18/323077918.db2.gz TUUMJENJIAQUSD-UHFFFAOYSA-N 1 3 241.335 -0.377 20 0 BBADHO C[C@H](CC[NH+](C)C)NCCC(=O)NC(N)=O ZINC000562993760 323078622 /nfs/dbraw/zinc/07/86/22/323078622.db2.gz NNDPFRFHBJCVPB-MRVPVSSYSA-N 1 3 230.312 -0.499 20 0 BBADHO C[C@@H](CC[NH+](C)C)NCCC(=O)NC(N)=O ZINC000562993761 323078559 /nfs/dbraw/zinc/07/85/59/323078559.db2.gz NNDPFRFHBJCVPB-QMMMGPOBSA-N 1 3 230.312 -0.499 20 0 BBADHO CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000563075002 347576772 /nfs/dbraw/zinc/57/67/72/347576772.db2.gz YYUKLEMOQQOYKL-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(CCOC)C1 ZINC000563075003 347576862 /nfs/dbraw/zinc/57/68/62/347576862.db2.gz YYUKLEMOQQOYKL-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO COCCNCC(=O)NCC[NH2+]C(C)(C)C ZINC000563081444 348592886 /nfs/dbraw/zinc/59/28/86/348592886.db2.gz CYHPFWVHYOESLM-UHFFFAOYSA-N 1 3 231.340 -0.273 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563088640 398068307 /nfs/dbraw/zinc/06/83/07/398068307.db2.gz YGOVXGUACYBKPC-GHMZBOCLSA-N 1 3 241.335 -0.710 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563088641 349467477 /nfs/dbraw/zinc/46/74/77/349467477.db2.gz YGOVXGUACYBKPC-MNOVXSKESA-N 1 3 241.335 -0.710 20 0 BBADHO COCCNCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563088642 349467319 /nfs/dbraw/zinc/46/73/19/349467319.db2.gz YGOVXGUACYBKPC-QWRGUYRKSA-N 1 3 241.335 -0.710 20 0 BBADHO COCCNCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563088643 349467459 /nfs/dbraw/zinc/46/74/59/349467459.db2.gz YGOVXGUACYBKPC-WDEREUQCSA-N 1 3 241.335 -0.710 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000563097066 323092126 /nfs/dbraw/zinc/09/21/26/323092126.db2.gz XPJFFKMTSASCTQ-MRVPVSSYSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000563097067 323092050 /nfs/dbraw/zinc/09/20/50/323092050.db2.gz XPJFFKMTSASCTQ-QMMMGPOBSA-N 1 3 211.309 -0.005 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)CCOC1CNC1 ZINC000563100846 323092465 /nfs/dbraw/zinc/09/24/65/323092465.db2.gz CRNQUTHHDNGQEE-UHFFFAOYSA-N 1 3 243.351 -0.131 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](N)C1CCOCC1 ZINC000563101680 323092481 /nfs/dbraw/zinc/09/24/81/323092481.db2.gz LXZFTOSZEYJSRJ-GXSJLCMTSA-N 1 3 243.351 -0.288 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000563101681 323092377 /nfs/dbraw/zinc/09/23/77/323092377.db2.gz LXZFTOSZEYJSRJ-KOLCDFICSA-N 1 3 243.351 -0.288 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](N)C1CCOCC1 ZINC000563101682 323092393 /nfs/dbraw/zinc/09/23/93/323092393.db2.gz LXZFTOSZEYJSRJ-MWLCHTKSSA-N 1 3 243.351 -0.288 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000563101683 323092486 /nfs/dbraw/zinc/09/24/86/323092486.db2.gz LXZFTOSZEYJSRJ-ONGXEEELSA-N 1 3 243.351 -0.288 20 0 BBADHO C[C@@H]([NH3+])C1CCN(C(=O)COC2CNC2)CC1 ZINC000563101897 323092475 /nfs/dbraw/zinc/09/24/75/323092475.db2.gz SLERYFIJOYVGRH-SECBINFHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]([NH3+])C1CCN(C(=O)COC2CNC2)CC1 ZINC000563101996 323092391 /nfs/dbraw/zinc/09/23/91/323092391.db2.gz SLERYFIJOYVGRH-VIFPVBQESA-N 1 3 241.335 -0.439 20 0 BBADHO COCCNCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000563106855 350062760 /nfs/dbraw/zinc/06/27/60/350062760.db2.gz PKPIVRSELCXLQK-JTQLQIEISA-N 1 3 229.324 -0.580 20 0 BBADHO COCCNCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563106856 350062826 /nfs/dbraw/zinc/06/28/26/350062826.db2.gz PKPIVRSELCXLQK-SNVBAGLBSA-N 1 3 229.324 -0.580 20 0 BBADHO [NH3+]C[C@H]1CCCCN1C(=O)COC1CNC1 ZINC000563106894 350062440 /nfs/dbraw/zinc/06/24/40/350062440.db2.gz TUEVKHXDWMZMIX-SECBINFHSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+]C[C@@H]1CCCCN1C(=O)COC1CNC1 ZINC000563106895 350062855 /nfs/dbraw/zinc/06/28/55/350062855.db2.gz TUEVKHXDWMZMIX-VIFPVBQESA-N 1 3 227.308 -0.685 20 0 BBADHO CO[C@H](CN)C(=O)NCC1([NH3+])CCCCC1 ZINC000563107046 323092771 /nfs/dbraw/zinc/09/27/71/323092771.db2.gz QTVZXZULBQQDDM-SECBINFHSA-N 1 3 229.324 -0.262 20 0 BBADHO CO[C@@H](CN)C(=O)NCC1([NH3+])CCCCC1 ZINC000563107047 323092737 /nfs/dbraw/zinc/09/27/37/323092737.db2.gz QTVZXZULBQQDDM-VIFPVBQESA-N 1 3 229.324 -0.262 20 0 BBADHO O=C(CCOC1CNC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000563109617 323093070 /nfs/dbraw/zinc/09/30/70/323093070.db2.gz VCTKAPUWGJYWKX-AOOOYVTPSA-N 1 3 239.319 -0.957 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000563109864 323092963 /nfs/dbraw/zinc/09/29/63/323092963.db2.gz FIAJMWLKWWKIGZ-PSASIEDQSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000563109865 323092878 /nfs/dbraw/zinc/09/28/78/323092878.db2.gz FIAJMWLKWWKIGZ-SCZZXKLOSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000563109866 323092907 /nfs/dbraw/zinc/09/29/07/323092907.db2.gz FIAJMWLKWWKIGZ-WCBMZHEXSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000563109867 323092858 /nfs/dbraw/zinc/09/28/58/323092858.db2.gz FIAJMWLKWWKIGZ-WPRPVWTQSA-N 1 3 227.308 -0.687 20 0 BBADHO C[NH2+]CCCN(C)C(=O)[C@H](N)CCC(=O)OC ZINC000563113737 323093138 /nfs/dbraw/zinc/09/31/38/323093138.db2.gz UQRPEBIUSWLYMX-SECBINFHSA-N 1 3 245.323 -0.665 20 0 BBADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)CCC(=O)OC ZINC000563113738 323093155 /nfs/dbraw/zinc/09/31/55/323093155.db2.gz UQRPEBIUSWLYMX-VIFPVBQESA-N 1 3 245.323 -0.665 20 0 BBADHO N[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000563114828 323093298 /nfs/dbraw/zinc/09/32/98/323093298.db2.gz DZGOKABFRDYUBJ-GHMZBOCLSA-N 1 3 241.335 -0.392 20 0 BBADHO N[C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000563114829 323093310 /nfs/dbraw/zinc/09/33/10/323093310.db2.gz DZGOKABFRDYUBJ-MNOVXSKESA-N 1 3 241.335 -0.392 20 0 BBADHO N[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000563114830 323093379 /nfs/dbraw/zinc/09/33/79/323093379.db2.gz DZGOKABFRDYUBJ-QWRGUYRKSA-N 1 3 241.335 -0.392 20 0 BBADHO N[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000563114831 323093445 /nfs/dbraw/zinc/09/34/45/323093445.db2.gz DZGOKABFRDYUBJ-WDEREUQCSA-N 1 3 241.335 -0.392 20 0 BBADHO CC[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000563114990 323093410 /nfs/dbraw/zinc/09/34/10/323093410.db2.gz IMJMFZXOLGITQY-PHDIDXHHSA-N 1 3 209.240 -0.178 20 0 BBADHO CC[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000563114992 323093497 /nfs/dbraw/zinc/09/34/97/323093497.db2.gz IMJMFZXOLGITQY-RITPCOANSA-N 1 3 209.240 -0.178 20 0 BBADHO COCCNCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000563116464 323093245 /nfs/dbraw/zinc/09/32/45/323093245.db2.gz IKGAWZYZIFMBIK-JTQLQIEISA-N 1 3 229.324 -0.582 20 0 BBADHO COCCNCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000563116466 323093333 /nfs/dbraw/zinc/09/33/33/323093333.db2.gz IKGAWZYZIFMBIK-SNVBAGLBSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCNCC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000563119044 323093993 /nfs/dbraw/zinc/09/39/93/323093993.db2.gz MFTIOEJUYKBYDW-HTQZYQBOSA-N 1 3 203.286 -0.926 20 0 BBADHO COCCNCC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000563119045 323093997 /nfs/dbraw/zinc/09/39/97/323093997.db2.gz MFTIOEJUYKBYDW-JGVFFNPUSA-N 1 3 203.286 -0.926 20 0 BBADHO COCCNCC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000563119046 323093969 /nfs/dbraw/zinc/09/39/69/323093969.db2.gz MFTIOEJUYKBYDW-SFYZADRCSA-N 1 3 203.286 -0.926 20 0 BBADHO COCCNCC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000563119047 323093918 /nfs/dbraw/zinc/09/39/18/323093918.db2.gz MFTIOEJUYKBYDW-YUMQZZPRSA-N 1 3 203.286 -0.926 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)CCOC1CNC1 ZINC000563119424 323094020 /nfs/dbraw/zinc/09/40/20/323094020.db2.gz VAUIIVBTGNMGMO-JTQLQIEISA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)CCOC1CNC1 ZINC000563119425 323093894 /nfs/dbraw/zinc/09/38/94/323093894.db2.gz VAUIIVBTGNMGMO-SNVBAGLBSA-N 1 3 243.351 -0.001 20 0 BBADHO COCCNCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000563152972 323095970 /nfs/dbraw/zinc/09/59/70/323095970.db2.gz ZHGNNRNYQWBIGS-UHFFFAOYSA-N 1 3 231.340 -0.334 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000563156235 323096060 /nfs/dbraw/zinc/09/60/60/323096060.db2.gz HUDCMVJCVWAYSA-JTQLQIEISA-N 1 3 243.351 -0.001 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000563156236 323096039 /nfs/dbraw/zinc/09/60/39/323096039.db2.gz HUDCMVJCVWAYSA-SNVBAGLBSA-N 1 3 243.351 -0.001 20 0 BBADHO CC[C@]1(C(=O)NC[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000563158968 323096909 /nfs/dbraw/zinc/09/69/09/323096909.db2.gz ATJKPFPAOGZCEX-CMPLNLGQSA-N 1 3 241.335 -0.377 20 0 BBADHO CC[C@@]1(C(=O)NC[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000563158970 323096875 /nfs/dbraw/zinc/09/68/75/323096875.db2.gz ATJKPFPAOGZCEX-JQWIXIFHSA-N 1 3 241.335 -0.377 20 0 BBADHO CC[C@@]1(C(=O)NC[C@H]2CNCCO2)CCC[NH2+]1 ZINC000563158972 323096871 /nfs/dbraw/zinc/09/68/71/323096871.db2.gz ATJKPFPAOGZCEX-PWSUYJOCSA-N 1 3 241.335 -0.377 20 0 BBADHO CC[C@]1(C(=O)NC[C@H]2CNCCO2)CCC[NH2+]1 ZINC000563158973 323096926 /nfs/dbraw/zinc/09/69/26/323096926.db2.gz ATJKPFPAOGZCEX-ZYHUDNBSSA-N 1 3 241.335 -0.377 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000563159288 323097067 /nfs/dbraw/zinc/09/70/67/323097067.db2.gz OBOSNGOFRYFORH-AEJSXWLSSA-N 1 3 229.324 -0.312 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000563159289 323097062 /nfs/dbraw/zinc/09/70/62/323097062.db2.gz OBOSNGOFRYFORH-BBBLOLIVSA-N 1 3 229.324 -0.312 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000563159290 323097018 /nfs/dbraw/zinc/09/70/18/323097018.db2.gz OBOSNGOFRYFORH-GUBZILKMSA-N 1 3 229.324 -0.312 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000563159291 323097056 /nfs/dbraw/zinc/09/70/56/323097056.db2.gz OBOSNGOFRYFORH-UTLUCORTSA-N 1 3 229.324 -0.312 20 0 BBADHO CNC[C@@](C)(O)C[NH2+][C@H](C)Cn1cccn1 ZINC000563271146 323107233 /nfs/dbraw/zinc/10/72/33/323107233.db2.gz MGDWSWJRNJAXCU-GHMZBOCLSA-N 1 3 226.324 -0.168 20 0 BBADHO CNC[C@](C)(O)C[NH2+][C@H](C)Cn1cccn1 ZINC000563271150 323107197 /nfs/dbraw/zinc/10/71/97/323107197.db2.gz MGDWSWJRNJAXCU-MNOVXSKESA-N 1 3 226.324 -0.168 20 0 BBADHO CNC[C@](C)(O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000563271152 323107200 /nfs/dbraw/zinc/10/72/00/323107200.db2.gz MGDWSWJRNJAXCU-QWRGUYRKSA-N 1 3 226.324 -0.168 20 0 BBADHO CNC[C@@](C)(O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000563271153 323107192 /nfs/dbraw/zinc/10/71/92/323107192.db2.gz MGDWSWJRNJAXCU-WDEREUQCSA-N 1 3 226.324 -0.168 20 0 BBADHO O=C(CC[NH2+]C1CC1)NC[C@@H]1CNCCO1 ZINC000563413129 323124894 /nfs/dbraw/zinc/12/48/94/323124894.db2.gz XRRGMGMNDWRYFQ-JTQLQIEISA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(CC[NH2+]C1CC1)NC[C@H]1CNCCO1 ZINC000563413130 323124875 /nfs/dbraw/zinc/12/48/75/323124875.db2.gz XRRGMGMNDWRYFQ-SNVBAGLBSA-N 1 3 227.308 -0.767 20 0 BBADHO CN(C)CCOCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000563451743 323126560 /nfs/dbraw/zinc/12/65/60/323126560.db2.gz NCZVFTAUBCBWSM-JTQLQIEISA-N 1 3 244.339 -0.774 20 0 BBADHO CC[NH2+]CC1CCN(C(=O)[C@@H](CN)OC)CC1 ZINC000563535128 323129466 /nfs/dbraw/zinc/12/94/66/323129466.db2.gz ZVLQBMSMHVPTFW-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO CC[NH2+]CC1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000563535131 323129488 /nfs/dbraw/zinc/12/94/88/323129488.db2.gz ZVLQBMSMHVPTFW-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO CCC[NH2+][C@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000563582834 323130542 /nfs/dbraw/zinc/13/05/42/323130542.db2.gz FWPYNRAKKISUKE-GHMZBOCLSA-N 1 3 242.367 -0.524 20 0 BBADHO CCC[NH2+][C@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000563582835 323130538 /nfs/dbraw/zinc/13/05/38/323130538.db2.gz FWPYNRAKKISUKE-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CCC[NH2+][C@@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000563582836 323130470 /nfs/dbraw/zinc/13/04/70/323130470.db2.gz FWPYNRAKKISUKE-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO CCC[NH2+][C@@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000563582837 323130524 /nfs/dbraw/zinc/13/05/24/323130524.db2.gz FWPYNRAKKISUKE-WDEREUQCSA-N 1 3 242.367 -0.524 20 0 BBADHO N[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)C1CCC1 ZINC000563622857 323132191 /nfs/dbraw/zinc/13/21/91/323132191.db2.gz IYJFMSVURSIIPZ-NXEZZACHSA-N 1 3 227.308 -0.700 20 0 BBADHO N[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000563622862 323132130 /nfs/dbraw/zinc/13/21/30/323132130.db2.gz IYJFMSVURSIIPZ-UWVGGRQHSA-N 1 3 227.308 -0.700 20 0 BBADHO N[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000563622863 323132142 /nfs/dbraw/zinc/13/21/42/323132142.db2.gz IYJFMSVURSIIPZ-VHSXEESVSA-N 1 3 227.308 -0.700 20 0 BBADHO N[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)C1CCC1 ZINC000563622864 323132114 /nfs/dbraw/zinc/13/21/14/323132114.db2.gz IYJFMSVURSIIPZ-ZJUUUORDSA-N 1 3 227.308 -0.700 20 0 BBADHO CN(C(=O)CNC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000563810240 323178483 /nfs/dbraw/zinc/17/84/83/323178483.db2.gz KKZZHPYHZIXTPV-JTQLQIEISA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C(=O)CNC1CC1)[C@H](C[NH3+])C1CC1 ZINC000563810244 323178499 /nfs/dbraw/zinc/17/84/99/323178499.db2.gz KKZZHPYHZIXTPV-SNVBAGLBSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000563884052 323183290 /nfs/dbraw/zinc/18/32/90/323183290.db2.gz LZFKDBTWLVPEKM-SECBINFHSA-N 1 3 249.318 -0.223 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)COC1CNC1 ZINC000563956777 323330813 /nfs/dbraw/zinc/33/08/13/323330813.db2.gz RQWCISNQLHBWKP-SECBINFHSA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)COC1CNC1 ZINC000563956778 323330954 /nfs/dbraw/zinc/33/09/54/323330954.db2.gz RQWCISNQLHBWKP-VIFPVBQESA-N 1 3 227.308 -0.815 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000564075703 387821348 /nfs/dbraw/zinc/82/13/48/387821348.db2.gz NRRGDBNYLUYRCJ-CMPLNLGQSA-N 1 3 249.314 -0.123 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000564075704 387819553 /nfs/dbraw/zinc/81/95/53/387819553.db2.gz NRRGDBNYLUYRCJ-JQWIXIFHSA-N 1 3 249.314 -0.123 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000564075705 323425172 /nfs/dbraw/zinc/42/51/72/323425172.db2.gz NRRGDBNYLUYRCJ-PWSUYJOCSA-N 1 3 249.314 -0.123 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000564075706 323425322 /nfs/dbraw/zinc/42/53/22/323425322.db2.gz NRRGDBNYLUYRCJ-ZYHUDNBSSA-N 1 3 249.314 -0.123 20 0 BBADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CNCCO1 ZINC000564082918 358848846 /nfs/dbraw/zinc/84/88/46/358848846.db2.gz BOCJYGHMIYZBFL-GHMZBOCLSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CNCCO1 ZINC000564082919 358849125 /nfs/dbraw/zinc/84/91/25/358849125.db2.gz BOCJYGHMIYZBFL-MNOVXSKESA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CNCCO1 ZINC000564082921 358848711 /nfs/dbraw/zinc/84/87/11/358848711.db2.gz BOCJYGHMIYZBFL-QWRGUYRKSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CNCCO1 ZINC000564082922 358849066 /nfs/dbraw/zinc/84/90/66/358849066.db2.gz BOCJYGHMIYZBFL-WDEREUQCSA-N 1 3 241.335 -0.519 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)COC1CNC1 ZINC000564327737 325382952 /nfs/dbraw/zinc/38/29/52/325382952.db2.gz BFHWQCIJXSKBJP-MRVPVSSYSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)COC1CNC1 ZINC000564327738 325382802 /nfs/dbraw/zinc/38/28/02/325382802.db2.gz BFHWQCIJXSKBJP-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO CN(C(=O)[C@@H](N)CC(F)F)C1CC([NH3+])C1 ZINC000564331020 364430282 /nfs/dbraw/zinc/43/02/82/364430282.db2.gz AFRNACDYFQQPEM-AHXFUIDQSA-N 1 3 221.251 -0.083 20 0 BBADHO CN(C(=O)[C@H](N)CC(F)F)C1CC([NH3+])C1 ZINC000564331027 364430406 /nfs/dbraw/zinc/43/04/06/364430406.db2.gz AFRNACDYFQQPEM-KPGICGJXSA-N 1 3 221.251 -0.083 20 0 BBADHO CCCN(C(=O)[C@@H](CN)OC)[C@@H]1CC[NH2+]C1 ZINC000564443579 322945791 /nfs/dbraw/zinc/94/57/91/322945791.db2.gz PKLXFMNIURRIFU-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO CCCN(C(=O)[C@H](CN)OC)[C@H]1CC[NH2+]C1 ZINC000564443580 322945829 /nfs/dbraw/zinc/94/58/29/322945829.db2.gz PKLXFMNIURRIFU-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO CCCN(C(=O)[C@@H](CN)OC)[C@H]1CC[NH2+]C1 ZINC000564443581 322945799 /nfs/dbraw/zinc/94/57/99/322945799.db2.gz PKLXFMNIURRIFU-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO CCCN(C(=O)[C@H](CN)OC)[C@@H]1CC[NH2+]C1 ZINC000564443582 385295188 /nfs/dbraw/zinc/29/51/88/385295188.db2.gz PKLXFMNIURRIFU-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@@H]1CCN(C(=O)COC2CNC2)C[C@H]1C[NH3+] ZINC000564450658 325793115 /nfs/dbraw/zinc/79/31/15/325793115.db2.gz BLKPINHRIMVYBH-NXEZZACHSA-N 1 3 241.335 -0.582 20 0 BBADHO C[C@H]1CCN(C(=O)COC2CNC2)C[C@@H]1C[NH3+] ZINC000564450664 388875670 /nfs/dbraw/zinc/87/56/70/388875670.db2.gz BLKPINHRIMVYBH-UWVGGRQHSA-N 1 3 241.335 -0.582 20 0 BBADHO C[C@H]1CCN(C(=O)COC2CNC2)C[C@H]1C[NH3+] ZINC000564450665 325793151 /nfs/dbraw/zinc/79/31/51/325793151.db2.gz BLKPINHRIMVYBH-VHSXEESVSA-N 1 3 241.335 -0.582 20 0 BBADHO C[C@@H]1CCN(C(=O)COC2CNC2)C[C@@H]1C[NH3+] ZINC000564450666 325793025 /nfs/dbraw/zinc/79/30/25/325793025.db2.gz BLKPINHRIMVYBH-ZJUUUORDSA-N 1 3 241.335 -0.582 20 0 BBADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000564451550 322951669 /nfs/dbraw/zinc/95/16/69/322951669.db2.gz QAVWELOYRKSFLA-CMPLNLGQSA-N 1 3 243.351 -0.001 20 0 BBADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000564451551 398138451 /nfs/dbraw/zinc/13/84/51/398138451.db2.gz QAVWELOYRKSFLA-JQWIXIFHSA-N 1 3 243.351 -0.001 20 0 BBADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564451552 322951643 /nfs/dbraw/zinc/95/16/43/322951643.db2.gz QAVWELOYRKSFLA-PWSUYJOCSA-N 1 3 243.351 -0.001 20 0 BBADHO CCC[C@@](C)(N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564451553 322951615 /nfs/dbraw/zinc/95/16/15/322951615.db2.gz QAVWELOYRKSFLA-ZYHUDNBSSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000564568565 325796037 /nfs/dbraw/zinc/79/60/37/325796037.db2.gz ZLIXRRJIYLPVOS-GMSGAONNSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000564568566 323079775 /nfs/dbraw/zinc/07/97/75/323079775.db2.gz ZLIXRRJIYLPVOS-OIBJUYFYSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000564568567 323079708 /nfs/dbraw/zinc/07/97/08/323079708.db2.gz ZLIXRRJIYLPVOS-XCBNKYQSSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000564568568 323079738 /nfs/dbraw/zinc/07/97/38/323079738.db2.gz ZLIXRRJIYLPVOS-XVKPBYJWSA-N 1 3 211.309 -0.020 20 0 BBADHO CC(C)(C)[C@H](NCCN1CC[NH2+]CC1)C(N)=O ZINC000564572053 325796596 /nfs/dbraw/zinc/79/65/96/325796596.db2.gz QSEXPEOSORWXEW-SNVBAGLBSA-N 1 3 242.367 -0.619 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564572098 388879311 /nfs/dbraw/zinc/87/93/11/388879311.db2.gz OBBPBTXHYUCOBO-NXEZZACHSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000564572109 388879433 /nfs/dbraw/zinc/87/94/33/388879433.db2.gz OBBPBTXHYUCOBO-VHSXEESVSA-N 1 3 243.351 -0.146 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)N1CCCNCC1 ZINC000564586132 325798019 /nfs/dbraw/zinc/79/80/19/325798019.db2.gz PCMJCCUHGSSOCX-VIFPVBQESA-N 1 3 212.297 -0.647 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564656256 325801576 /nfs/dbraw/zinc/80/15/76/325801576.db2.gz WEVMPJLCLPOQBE-JTQLQIEISA-N 1 3 240.351 -0.770 20 0 BBADHO CC(C)(N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564656260 325801417 /nfs/dbraw/zinc/80/14/17/325801417.db2.gz WEVMPJLCLPOQBE-SNVBAGLBSA-N 1 3 240.351 -0.770 20 0 BBADHO O=C(COC1CNC1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000564804197 325810675 /nfs/dbraw/zinc/81/06/75/325810675.db2.gz QITHYAJKLFKVAG-JTQLQIEISA-N 1 3 239.319 -0.672 20 0 BBADHO O=C(COC1CNC1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000564804207 388890612 /nfs/dbraw/zinc/89/06/12/388890612.db2.gz QITHYAJKLFKVAG-SNVBAGLBSA-N 1 3 239.319 -0.672 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564829571 388891792 /nfs/dbraw/zinc/89/17/92/388891792.db2.gz JNNRJIWVWCQAOB-AXTSPUMRSA-N 1 3 209.293 -0.456 20 0 BBADHO COCC1(CNC(=O)C2(N)CC2)CC[NH2+]CC1 ZINC000564838817 325814819 /nfs/dbraw/zinc/81/48/19/325814819.db2.gz GAJLCJACVBVPFP-UHFFFAOYSA-N 1 3 241.335 -0.390 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000564840745 322936633 /nfs/dbraw/zinc/93/66/33/322936633.db2.gz KPCWREFKWMTDFC-HTQZYQBOSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000564840749 384915335 /nfs/dbraw/zinc/91/53/35/384915335.db2.gz KPCWREFKWMTDFC-JGVFFNPUSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000564840927 322936387 /nfs/dbraw/zinc/93/63/87/322936387.db2.gz KPCWREFKWMTDFC-SFYZADRCSA-N 1 3 217.313 -0.550 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000564840929 322936498 /nfs/dbraw/zinc/93/64/98/322936498.db2.gz KPCWREFKWMTDFC-YUMQZZPRSA-N 1 3 217.313 -0.550 20 0 BBADHO CNCC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000564923888 384886161 /nfs/dbraw/zinc/88/61/61/384886161.db2.gz WJBFOGJNYZBFLU-LLVKDONJSA-N 1 3 243.351 -0.585 20 0 BBADHO CNCC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000564923891 322960837 /nfs/dbraw/zinc/96/08/37/322960837.db2.gz WJBFOGJNYZBFLU-NSHDSACASA-N 1 3 243.351 -0.585 20 0 BBADHO COCCC[N@@H+](C)CCNC(=O)C1(N)CCC1 ZINC000564930319 388898428 /nfs/dbraw/zinc/89/84/28/388898428.db2.gz OMPXFOYCNFUNHT-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO COCCC[N@H+](C)CCNC(=O)C1(N)CCC1 ZINC000564930319 388898427 /nfs/dbraw/zinc/89/84/27/388898427.db2.gz OMPXFOYCNFUNHT-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564932939 388898873 /nfs/dbraw/zinc/89/88/73/388898873.db2.gz CQNGSPKVHVBCHW-MNOVXSKESA-N 1 3 240.351 -0.770 20 0 BBADHO CC[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564932941 325828330 /nfs/dbraw/zinc/82/83/30/325828330.db2.gz CQNGSPKVHVBCHW-QWRGUYRKSA-N 1 3 240.351 -0.770 20 0 BBADHO CC[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564933047 388898521 /nfs/dbraw/zinc/89/85/21/388898521.db2.gz JSFJTLYBVRZYOT-GHMZBOCLSA-N 1 3 240.351 -0.770 20 0 BBADHO CC[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564933048 388898660 /nfs/dbraw/zinc/89/86/60/388898660.db2.gz JSFJTLYBVRZYOT-WDEREUQCSA-N 1 3 240.351 -0.770 20 0 BBADHO NC[C@H](C(=O)NCC[NH3+])c1ccc(F)cc1 ZINC000564936921 388898161 /nfs/dbraw/zinc/89/81/61/388898161.db2.gz LLOZYINXWPWIAS-JTQLQIEISA-N 1 3 225.267 -0.057 20 0 BBADHO NC[C@@H](C(=O)NCC[NH3+])c1ccc(F)cc1 ZINC000564936925 325829422 /nfs/dbraw/zinc/82/94/22/325829422.db2.gz LLOZYINXWPWIAS-SNVBAGLBSA-N 1 3 225.267 -0.057 20 0 BBADHO O=C(C[C@H]1CSCCN1)NC1CC[NH2+]CC1 ZINC000564940656 388899659 /nfs/dbraw/zinc/89/96/59/388899659.db2.gz YOPJTVFXIWMBLF-JTQLQIEISA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(C[C@@H]1CSCCN1)NC1CC[NH2+]CC1 ZINC000564940657 388899737 /nfs/dbraw/zinc/89/97/37/388899737.db2.gz YOPJTVFXIWMBLF-SNVBAGLBSA-N 1 3 243.376 -0.050 20 0 BBADHO O=C(COC1CNC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564945106 344480656 /nfs/dbraw/zinc/48/06/56/344480656.db2.gz RUCFYTYVYNBKQM-ZJUUUORDSA-N 1 3 239.319 -0.672 20 0 BBADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[NH2+]C)C1(C)C ZINC000564947906 388899805 /nfs/dbraw/zinc/89/98/05/388899805.db2.gz ZIJBEWWKIFJCAY-BXKDBHETSA-N 1 3 243.351 -0.146 20 0 BBADHO CCO[C@H]1C[C@](N)(C(=O)NCC[NH2+]C)C1(C)C ZINC000564947907 388899584 /nfs/dbraw/zinc/89/95/84/388899584.db2.gz ZIJBEWWKIFJCAY-CABZTGNLSA-N 1 3 243.351 -0.146 20 0 BBADHO CCO[C@H]1C[C@@](N)(C(=O)NCC[NH2+]C)C1(C)C ZINC000564947908 388900339 /nfs/dbraw/zinc/90/03/39/388900339.db2.gz ZIJBEWWKIFJCAY-JOYOIKCWSA-N 1 3 243.351 -0.146 20 0 BBADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[NH2+]C)C1(C)C ZINC000564947909 325831733 /nfs/dbraw/zinc/83/17/33/325831733.db2.gz ZIJBEWWKIFJCAY-SKDRFNHKSA-N 1 3 243.351 -0.146 20 0 BBADHO COC[C@@]1(CNC(=O)[C@H](N)C(C)C)CCC[NH2+]1 ZINC000564948208 388900398 /nfs/dbraw/zinc/90/03/98/388900398.db2.gz AJHBATHONWJHBU-PWSUYJOCSA-N 1 3 243.351 -0.146 20 0 BBADHO COC[C@]1(CNC(=O)[C@H](N)C(C)C)CCC[NH2+]1 ZINC000564948209 325831517 /nfs/dbraw/zinc/83/15/17/325831517.db2.gz AJHBATHONWJHBU-ZYHUDNBSSA-N 1 3 243.351 -0.146 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564948811 388900054 /nfs/dbraw/zinc/90/00/54/388900054.db2.gz KHGSOXHTNQBKQI-NXEZZACHSA-N 1 3 229.324 -0.453 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564948812 388900210 /nfs/dbraw/zinc/90/02/10/388900210.db2.gz KHGSOXHTNQBKQI-UWVGGRQHSA-N 1 3 229.324 -0.453 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564948813 388899611 /nfs/dbraw/zinc/89/96/11/388899611.db2.gz KHGSOXHTNQBKQI-VHSXEESVSA-N 1 3 229.324 -0.453 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564948814 388899972 /nfs/dbraw/zinc/89/99/72/388899972.db2.gz KHGSOXHTNQBKQI-ZJUUUORDSA-N 1 3 229.324 -0.453 20 0 BBADHO CCC[NH2+]CCNC(=O)C[C@H]1CNCCO1 ZINC000564949834 322978315 /nfs/dbraw/zinc/97/83/15/322978315.db2.gz DJRHVRLKXYLNME-JTQLQIEISA-N 1 3 229.324 -0.519 20 0 BBADHO CCC[NH2+]CCNC(=O)C[C@@H]1CNCCO1 ZINC000564949837 487994146 /nfs/dbraw/zinc/99/41/46/487994146.db2.gz DJRHVRLKXYLNME-SNVBAGLBSA-N 1 3 229.324 -0.519 20 0 BBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000564952575 388901658 /nfs/dbraw/zinc/90/16/58/388901658.db2.gz FNZLSOPQPSZONW-LLVKDONJSA-N 1 3 243.351 -0.096 20 0 BBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000564952576 388901194 /nfs/dbraw/zinc/90/11/94/388901194.db2.gz FNZLSOPQPSZONW-NSHDSACASA-N 1 3 243.351 -0.096 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000564953256 325832766 /nfs/dbraw/zinc/83/27/66/325832766.db2.gz BCGLMSNXMSCLPQ-GXSJLCMTSA-N 1 3 240.351 -0.853 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000564953260 388900986 /nfs/dbraw/zinc/90/09/86/388900986.db2.gz BCGLMSNXMSCLPQ-KOLCDFICSA-N 1 3 240.351 -0.853 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000564953261 325832802 /nfs/dbraw/zinc/83/28/02/325832802.db2.gz BCGLMSNXMSCLPQ-MWLCHTKSSA-N 1 3 240.351 -0.853 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000564953262 388901460 /nfs/dbraw/zinc/90/14/60/388901460.db2.gz BCGLMSNXMSCLPQ-ONGXEEELSA-N 1 3 240.351 -0.853 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000564956291 388901076 /nfs/dbraw/zinc/90/10/76/388901076.db2.gz LOZHJMSELAFKIM-IVZWLZJFSA-N 1 3 229.324 -0.597 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000564956293 388901469 /nfs/dbraw/zinc/90/14/69/388901469.db2.gz LOZHJMSELAFKIM-KXUCPTDWSA-N 1 3 229.324 -0.597 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000564956294 388901594 /nfs/dbraw/zinc/90/15/94/388901594.db2.gz LOZHJMSELAFKIM-LPEHRKFASA-N 1 3 229.324 -0.597 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000564956295 388900958 /nfs/dbraw/zinc/90/09/58/388900958.db2.gz LOZHJMSELAFKIM-OPRDCNLKSA-N 1 3 229.324 -0.597 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000564956721 322979970 /nfs/dbraw/zinc/97/99/70/322979970.db2.gz QMNLQDXHKCCJHK-NXEZZACHSA-N 1 3 229.324 -0.534 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000564956722 322980045 /nfs/dbraw/zinc/98/00/45/322980045.db2.gz QMNLQDXHKCCJHK-UWVGGRQHSA-N 1 3 229.324 -0.534 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000564956723 322980016 /nfs/dbraw/zinc/98/00/16/322980016.db2.gz QMNLQDXHKCCJHK-VHSXEESVSA-N 1 3 229.324 -0.534 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000564956726 322979940 /nfs/dbraw/zinc/97/99/40/322979940.db2.gz QMNLQDXHKCCJHK-ZJUUUORDSA-N 1 3 229.324 -0.534 20 0 BBADHO N[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000564957563 325834130 /nfs/dbraw/zinc/83/41/30/325834130.db2.gz PPIMXOBKUJFDLK-QCLAVDOMSA-N 1 3 209.293 -0.552 20 0 BBADHO N[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000564957564 325834061 /nfs/dbraw/zinc/83/40/61/325834061.db2.gz PPIMXOBKUJFDLK-RGOKHQFPSA-N 1 3 209.293 -0.552 20 0 BBADHO O=C(CNC[C@H]1CCCO1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000564958741 388903241 /nfs/dbraw/zinc/90/32/41/388903241.db2.gz PWLUMGHXUQCKOD-SVDPJWKOSA-N 1 3 239.319 -0.911 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000564958742 388902754 /nfs/dbraw/zinc/90/27/54/388902754.db2.gz PWLUMGHXUQCKOD-UXCLJVHYSA-N 1 3 239.319 -0.911 20 0 BBADHO C[C@H]1CCN[C@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000564983202 398336122 /nfs/dbraw/zinc/33/61/22/398336122.db2.gz NBQRPUFERPOJBT-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000564983203 398336116 /nfs/dbraw/zinc/33/61/16/398336116.db2.gz NBQRPUFERPOJBT-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]1CCN[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000564983204 322990601 /nfs/dbraw/zinc/99/06/01/322990601.db2.gz NBQRPUFERPOJBT-IVZWLZJFSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]1CCN[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000564983205 398336097 /nfs/dbraw/zinc/33/60/97/398336097.db2.gz NBQRPUFERPOJBT-OPRDCNLKSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)C[C@H]1CNCCO1 ZINC000564987971 388905066 /nfs/dbraw/zinc/90/50/66/388905066.db2.gz HJTUROOWUDBSFW-JTQLQIEISA-N 1 3 243.351 -0.192 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1CNCCO1 ZINC000564987972 325840724 /nfs/dbraw/zinc/84/07/24/325840724.db2.gz HJTUROOWUDBSFW-SNVBAGLBSA-N 1 3 243.351 -0.192 20 0 BBADHO C[C@H](CN)[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000564989303 388905058 /nfs/dbraw/zinc/90/50/58/388905058.db2.gz HPKUCZPIHOSDPX-LLVKDONJSA-N 1 3 242.367 -0.571 20 0 BBADHO C[C@H](CN)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000564989303 388905054 /nfs/dbraw/zinc/90/50/54/388905054.db2.gz HPKUCZPIHOSDPX-LLVKDONJSA-N 1 3 242.367 -0.571 20 0 BBADHO C[C@@H](CN)[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000564989306 388904991 /nfs/dbraw/zinc/90/49/91/388904991.db2.gz HPKUCZPIHOSDPX-NSHDSACASA-N 1 3 242.367 -0.571 20 0 BBADHO C[C@@H](CN)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000564989306 388904987 /nfs/dbraw/zinc/90/49/87/388904987.db2.gz HPKUCZPIHOSDPX-NSHDSACASA-N 1 3 242.367 -0.571 20 0 BBADHO O=C(NC[C@H]1CNCCO1)[C@H]1CCCCC[NH2+]1 ZINC000564992548 388906367 /nfs/dbraw/zinc/90/63/67/388906367.db2.gz FJZPHWSKRCXWFE-GHMZBOCLSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(NC[C@H]1CNCCO1)[C@@H]1CCCCC[NH2+]1 ZINC000564992549 388906798 /nfs/dbraw/zinc/90/67/98/388906798.db2.gz FJZPHWSKRCXWFE-MNOVXSKESA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CCCCC[NH2+]1 ZINC000564992550 388906654 /nfs/dbraw/zinc/90/66/54/388906654.db2.gz FJZPHWSKRCXWFE-QWRGUYRKSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1CCCCC[NH2+]1 ZINC000564992551 388906702 /nfs/dbraw/zinc/90/67/02/388906702.db2.gz FJZPHWSKRCXWFE-WDEREUQCSA-N 1 3 241.335 -0.377 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000564993014 325842327 /nfs/dbraw/zinc/84/23/27/325842327.db2.gz MOKGGDWOQBZEMA-AXFHLTTASA-N 1 3 243.351 -0.064 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000564993015 388906980 /nfs/dbraw/zinc/90/69/80/388906980.db2.gz MOKGGDWOQBZEMA-DCAQKATOSA-N 1 3 243.351 -0.064 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000564993016 388906256 /nfs/dbraw/zinc/90/62/56/388906256.db2.gz MOKGGDWOQBZEMA-MXWKQRLJSA-N 1 3 243.351 -0.064 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000564993017 388906046 /nfs/dbraw/zinc/90/60/46/388906046.db2.gz MOKGGDWOQBZEMA-VWYCJHECSA-N 1 3 243.351 -0.064 20 0 BBADHO CC[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564994543 325843143 /nfs/dbraw/zinc/84/31/43/325843143.db2.gz CHFNSHXDWOOMTJ-IVZWLZJFSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C(=O)COC1CNC1)[C@H]1CCC[NH2+]CC1 ZINC000564995411 322993141 /nfs/dbraw/zinc/99/31/41/322993141.db2.gz QZLJMKGNPLUCBR-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CN(C(=O)COC1CNC1)[C@@H]1CCC[NH2+]CC1 ZINC000564995413 322993145 /nfs/dbraw/zinc/99/31/45/322993145.db2.gz QZLJMKGNPLUCBR-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000565006482 384487754 /nfs/dbraw/zinc/48/77/54/384487754.db2.gz YMAGLLLNAWEBGD-BDAKNGLRSA-N 1 3 217.313 -0.536 20 0 BBADHO COCCNCC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000565006483 384487658 /nfs/dbraw/zinc/48/76/58/384487658.db2.gz YMAGLLLNAWEBGD-DTWKUNHWSA-N 1 3 217.313 -0.536 20 0 BBADHO COCCNCC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000565006485 384489716 /nfs/dbraw/zinc/48/97/16/384489716.db2.gz YMAGLLLNAWEBGD-IUCAKERBSA-N 1 3 217.313 -0.536 20 0 BBADHO COCCNCC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000565006486 384489746 /nfs/dbraw/zinc/48/97/46/384489746.db2.gz YMAGLLLNAWEBGD-RKDXNWHRSA-N 1 3 217.313 -0.536 20 0 BBADHO CN1CCC(NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000565029784 388909567 /nfs/dbraw/zinc/90/95/67/388909567.db2.gz JXHQANBAMKPZQN-SKDRFNHKSA-N 1 3 223.320 -0.051 20 0 BBADHO C[N@@H+](CCN)CCCN1CCOCC1 ZINC000565044007 345220665 /nfs/dbraw/zinc/22/06/65/345220665.db2.gz LXECOCQMHWAKQZ-UHFFFAOYSA-N 1 3 201.314 -0.401 20 0 BBADHO C[N@H+](CCN)CCCN1CCOCC1 ZINC000565044007 345220662 /nfs/dbraw/zinc/22/06/62/345220662.db2.gz LXECOCQMHWAKQZ-UHFFFAOYSA-N 1 3 201.314 -0.401 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000565095571 388913918 /nfs/dbraw/zinc/91/39/18/388913918.db2.gz BOJPKJJFAUYTGJ-GXSJLCMTSA-N 1 3 232.324 -0.302 20 0 BBADHO CNC[C@@](C)(O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000565095571 388913916 /nfs/dbraw/zinc/91/39/16/388913916.db2.gz BOJPKJJFAUYTGJ-GXSJLCMTSA-N 1 3 232.324 -0.302 20 0 BBADHO CNC[C@](C)(O)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000565095572 388913357 /nfs/dbraw/zinc/91/33/57/388913357.db2.gz BOJPKJJFAUYTGJ-KOLCDFICSA-N 1 3 232.324 -0.302 20 0 BBADHO CNC[C@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000565095572 388913354 /nfs/dbraw/zinc/91/33/54/388913354.db2.gz BOJPKJJFAUYTGJ-KOLCDFICSA-N 1 3 232.324 -0.302 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000565095573 388914124 /nfs/dbraw/zinc/91/41/24/388914124.db2.gz BOJPKJJFAUYTGJ-MWLCHTKSSA-N 1 3 232.324 -0.302 20 0 BBADHO CNC[C@@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000565095573 388914122 /nfs/dbraw/zinc/91/41/22/388914122.db2.gz BOJPKJJFAUYTGJ-MWLCHTKSSA-N 1 3 232.324 -0.302 20 0 BBADHO CNC[C@](C)(O)C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000565095574 388913626 /nfs/dbraw/zinc/91/36/26/388913626.db2.gz BOJPKJJFAUYTGJ-ONGXEEELSA-N 1 3 232.324 -0.302 20 0 BBADHO CNC[C@](C)(O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000565095574 388913623 /nfs/dbraw/zinc/91/36/23/388913623.db2.gz BOJPKJJFAUYTGJ-ONGXEEELSA-N 1 3 232.324 -0.302 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000565214420 388926686 /nfs/dbraw/zinc/92/66/86/388926686.db2.gz ORIZQZYPQYMVTN-GXSJLCMTSA-N 1 3 211.309 -0.194 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000565214423 388924382 /nfs/dbraw/zinc/92/43/82/388924382.db2.gz ORIZQZYPQYMVTN-ONGXEEELSA-N 1 3 211.309 -0.194 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000565304587 388936614 /nfs/dbraw/zinc/93/66/14/388936614.db2.gz WATDQRMLYGJREX-AATLWQCWSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C ZINC000565304588 325894351 /nfs/dbraw/zinc/89/43/51/325894351.db2.gz WATDQRMLYGJREX-KYXWUPHJSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565304589 388935583 /nfs/dbraw/zinc/93/55/83/388935583.db2.gz WATDQRMLYGJREX-QCLAVDOMSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000565304590 388936511 /nfs/dbraw/zinc/93/65/11/388936511.db2.gz WATDQRMLYGJREX-RGOKHQFPSA-N 1 3 211.309 -0.068 20 0 BBADHO COCC[N@@H+](C)CCCNC(=O)C1(N)CCC1 ZINC000565360739 388939638 /nfs/dbraw/zinc/93/96/38/388939638.db2.gz SRBDSKPUGWTSDJ-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO COCC[N@H+](C)CCCNC(=O)C1(N)CCC1 ZINC000565360739 388939637 /nfs/dbraw/zinc/93/96/37/388939637.db2.gz SRBDSKPUGWTSDJ-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CCC[NH2+]CCNC(=O)CCOC1CNC1 ZINC000565362166 325901188 /nfs/dbraw/zinc/90/11/88/325901188.db2.gz CPACKOODNJUTJY-UHFFFAOYSA-N 1 3 229.324 -0.519 20 0 BBADHO C[NH2+]CC1CCN(C(=O)COC2CNC2)CC1 ZINC000565362201 388938602 /nfs/dbraw/zinc/93/86/02/388938602.db2.gz VSLYWOSSKDEPRW-UHFFFAOYSA-N 1 3 241.335 -0.567 20 0 BBADHO CN(C(=O)COC1CNC1)[C@@H](C[NH3+])C1CC1 ZINC000565362599 325900848 /nfs/dbraw/zinc/90/08/48/325900848.db2.gz INXWFJWWUOVRNR-JTQLQIEISA-N 1 3 227.308 -0.830 20 0 BBADHO CN(C(=O)COC1CNC1)[C@H](C[NH3+])C1CC1 ZINC000565362602 325901231 /nfs/dbraw/zinc/90/12/31/325901231.db2.gz INXWFJWWUOVRNR-SNVBAGLBSA-N 1 3 227.308 -0.830 20 0 BBADHO CSC[C@@H](O)C[NH2+]CCOCCN(C)C ZINC000565475824 325915527 /nfs/dbraw/zinc/91/55/27/325915527.db2.gz FXKYSKVTYCWUSC-JTQLQIEISA-N 1 3 236.381 -0.122 20 0 BBADHO CSC[C@H](O)C[NH2+]CCOCCN(C)C ZINC000565475825 325915776 /nfs/dbraw/zinc/91/57/76/325915776.db2.gz FXKYSKVTYCWUSC-SNVBAGLBSA-N 1 3 236.381 -0.122 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000565539157 322916042 /nfs/dbraw/zinc/91/60/42/322916042.db2.gz QTTGQFSMGPIPBO-JTQLQIEISA-N 1 3 243.351 -0.273 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000565539163 322915903 /nfs/dbraw/zinc/91/59/03/322915903.db2.gz QTTGQFSMGPIPBO-SNVBAGLBSA-N 1 3 243.351 -0.273 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)CCSC ZINC000565595125 388956600 /nfs/dbraw/zinc/95/66/00/388956600.db2.gz ACOZPMAWAUPQKX-HTQZYQBOSA-N 1 3 219.354 -0.080 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)[C@H](N)CCSC ZINC000565595157 325931714 /nfs/dbraw/zinc/93/17/14/325931714.db2.gz ACOZPMAWAUPQKX-JGVFFNPUSA-N 1 3 219.354 -0.080 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)CCSC ZINC000565595158 325931751 /nfs/dbraw/zinc/93/17/51/325931751.db2.gz ACOZPMAWAUPQKX-SFYZADRCSA-N 1 3 219.354 -0.080 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)CCSC ZINC000565595159 325931693 /nfs/dbraw/zinc/93/16/93/325931693.db2.gz ACOZPMAWAUPQKX-YUMQZZPRSA-N 1 3 219.354 -0.080 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000565598120 325933071 /nfs/dbraw/zinc/93/30/71/325933071.db2.gz YHLOTUZVWJWLTL-NXEZZACHSA-N 1 3 229.324 -0.663 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000565598135 325932727 /nfs/dbraw/zinc/93/27/27/325932727.db2.gz YHLOTUZVWJWLTL-UWVGGRQHSA-N 1 3 229.324 -0.663 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000565598136 325933124 /nfs/dbraw/zinc/93/31/24/325933124.db2.gz YHLOTUZVWJWLTL-VHSXEESVSA-N 1 3 229.324 -0.663 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000565598139 325933075 /nfs/dbraw/zinc/93/30/75/325933075.db2.gz YHLOTUZVWJWLTL-ZJUUUORDSA-N 1 3 229.324 -0.663 20 0 BBADHO O=C(NC[C@H]1CNCCO1)[C@H]1CCCC[NH2+]1 ZINC000565599368 388957504 /nfs/dbraw/zinc/95/75/04/388957504.db2.gz CUYGOXFRNHHLGT-NXEZZACHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1CCCC[NH2+]1 ZINC000565599369 388957759 /nfs/dbraw/zinc/95/77/59/388957759.db2.gz CUYGOXFRNHHLGT-VHSXEESVSA-N 1 3 227.308 -0.767 20 0 BBADHO CN[C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000565606833 384520618 /nfs/dbraw/zinc/52/06/18/384520618.db2.gz JPRJOPYHTQBTRM-MRVPVSSYSA-N 1 3 213.281 -0.715 20 0 BBADHO CN[C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000565606847 322928596 /nfs/dbraw/zinc/92/85/96/322928596.db2.gz JPRJOPYHTQBTRM-QMMMGPOBSA-N 1 3 213.281 -0.715 20 0 BBADHO CN(C)CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1CC1 ZINC000565656444 325938768 /nfs/dbraw/zinc/93/87/68/325938768.db2.gz PVPZNANMYRFKKV-ZJUUUORDSA-N 1 3 211.309 -0.114 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000565656951 388960673 /nfs/dbraw/zinc/96/06/73/388960673.db2.gz PNZBXTDJTAYUPI-CSMHCCOUSA-N 1 3 219.354 -0.081 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000565656952 388960766 /nfs/dbraw/zinc/96/07/66/388960766.db2.gz PNZBXTDJTAYUPI-FXQIFTODSA-N 1 3 219.354 -0.081 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000565656953 388959941 /nfs/dbraw/zinc/95/99/41/388959941.db2.gz PNZBXTDJTAYUPI-PRJMDXOYSA-N 1 3 219.354 -0.081 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000565656954 388960319 /nfs/dbraw/zinc/96/03/19/388960319.db2.gz PNZBXTDJTAYUPI-RNJXMRFFSA-N 1 3 219.354 -0.081 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000565657117 325939466 /nfs/dbraw/zinc/93/94/66/325939466.db2.gz YPBTURHMASBCTO-CIUDSAMLSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@@H](NC(=O)C[C@@H]1CNCCO1)[C@H](C)[NH3+] ZINC000565657118 388960438 /nfs/dbraw/zinc/96/04/38/388960438.db2.gz YPBTURHMASBCTO-DJLDLDEBSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000565657119 388960628 /nfs/dbraw/zinc/96/06/28/388960628.db2.gz YPBTURHMASBCTO-XHNCKOQMSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@@H](NC(=O)C[C@H]1CNCCO1)[C@H](C)[NH3+] ZINC000565657120 388960887 /nfs/dbraw/zinc/96/08/87/388960887.db2.gz YPBTURHMASBCTO-YIZRAAEISA-N 1 3 215.297 -0.783 20 0 BBADHO CN(CCN(C)C1CC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000565659559 384758894 /nfs/dbraw/zinc/75/88/94/384758894.db2.gz LBJFGHXEDFTSBH-WDEREUQCSA-N 1 3 241.335 -0.738 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000565715697 388964653 /nfs/dbraw/zinc/96/46/53/388964653.db2.gz LXMODSOHXSPLRH-JTQLQIEISA-N 1 3 229.324 -0.569 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000565715698 388964867 /nfs/dbraw/zinc/96/48/67/388964867.db2.gz LXMODSOHXSPLRH-SNVBAGLBSA-N 1 3 229.324 -0.569 20 0 BBADHO CN(CCNC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000565719845 388966513 /nfs/dbraw/zinc/96/65/13/388966513.db2.gz RLEAYIAGYDUAMD-SKDRFNHKSA-N 1 3 223.320 -0.051 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CNCCO1 ZINC000565773765 388968580 /nfs/dbraw/zinc/96/85/80/388968580.db2.gz YNHXNTGBJGQXCQ-AEJSXWLSSA-N 1 3 244.339 -0.600 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000565773766 325954953 /nfs/dbraw/zinc/95/49/53/325954953.db2.gz YNHXNTGBJGQXCQ-GUBZILKMSA-N 1 3 244.339 -0.600 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CNCCO1 ZINC000565773767 325955210 /nfs/dbraw/zinc/95/52/10/325955210.db2.gz YNHXNTGBJGQXCQ-IVZWLZJFSA-N 1 3 244.339 -0.600 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CNCCO1 ZINC000565773768 325954984 /nfs/dbraw/zinc/95/49/84/325954984.db2.gz YNHXNTGBJGQXCQ-LPEHRKFASA-N 1 3 244.339 -0.600 20 0 BBADHO CN(C(=O)C[C@H]1CNCCO1)C1CC([NH3+])C1 ZINC000565774430 325956007 /nfs/dbraw/zinc/95/60/07/325956007.db2.gz YXRIANQGPIJBLQ-RTBKNWGFSA-N 1 3 227.308 -0.687 20 0 BBADHO CN(C(=O)C[C@@H]1CNCCO1)C1CC([NH3+])C1 ZINC000565774431 325956078 /nfs/dbraw/zinc/95/60/78/325956078.db2.gz YXRIANQGPIJBLQ-UDNWOFFPSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@]1(C(=O)NC[C@H]2CNCCO2)CCC[NH2+]1 ZINC000565827917 388971023 /nfs/dbraw/zinc/97/10/23/388971023.db2.gz DNNFBVLQFKMRJQ-KOLCDFICSA-N 1 3 227.308 -0.767 20 0 BBADHO C[C@@]1(C(=O)NC[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000565827922 325960883 /nfs/dbraw/zinc/96/08/83/325960883.db2.gz DNNFBVLQFKMRJQ-ONGXEEELSA-N 1 3 227.308 -0.767 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000565832181 388972896 /nfs/dbraw/zinc/97/28/96/388972896.db2.gz HLEUSZCQTXLTAR-BDAKNGLRSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000565832199 388973081 /nfs/dbraw/zinc/97/30/81/388973081.db2.gz HLEUSZCQTXLTAR-DTWKUNHWSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000565832200 388972488 /nfs/dbraw/zinc/97/24/88/388972488.db2.gz HLEUSZCQTXLTAR-IUCAKERBSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000565832202 325962530 /nfs/dbraw/zinc/96/25/30/325962530.db2.gz HLEUSZCQTXLTAR-RKDXNWHRSA-N 1 3 215.297 -0.844 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CCN(CC2CC2)CC1 ZINC000565898474 388978482 /nfs/dbraw/zinc/97/84/82/388978482.db2.gz ROKVIXAIIMRQEU-CYBMUJFWSA-N 1 3 241.379 -0.016 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CCN(CC2CC2)CC1 ZINC000565898481 325971679 /nfs/dbraw/zinc/97/16/79/325971679.db2.gz ROKVIXAIIMRQEU-ZDUSSCGKSA-N 1 3 241.379 -0.016 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NCC(=O)N2CCNCC2)C1 ZINC000566020316 325985813 /nfs/dbraw/zinc/98/58/13/325985813.db2.gz MKDPBUHHCXHVPD-GHMZBOCLSA-N 1 3 240.351 -0.722 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NCC(=O)N2CCNCC2)C1 ZINC000566020317 325985780 /nfs/dbraw/zinc/98/57/80/325985780.db2.gz MKDPBUHHCXHVPD-MNOVXSKESA-N 1 3 240.351 -0.722 20 0 BBADHO [NH3+][C@H]1CCC[C@H](NCC(=O)N2CCNCC2)C1 ZINC000566020318 388984886 /nfs/dbraw/zinc/98/48/86/388984886.db2.gz MKDPBUHHCXHVPD-QWRGUYRKSA-N 1 3 240.351 -0.722 20 0 BBADHO [NH3+][C@H]1CCC[C@@H](NCC(=O)N2CCNCC2)C1 ZINC000566020319 325986119 /nfs/dbraw/zinc/98/61/19/325986119.db2.gz MKDPBUHHCXHVPD-WDEREUQCSA-N 1 3 240.351 -0.722 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000566100651 325994920 /nfs/dbraw/zinc/99/49/20/325994920.db2.gz BAOULWQZVHECCF-AATLWQCWSA-N 1 3 227.308 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000566100652 325994955 /nfs/dbraw/zinc/99/49/55/325994955.db2.gz BAOULWQZVHECCF-AXTSPUMRSA-N 1 3 227.308 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000566100653 388987163 /nfs/dbraw/zinc/98/71/63/388987163.db2.gz BAOULWQZVHECCF-QCLAVDOMSA-N 1 3 227.308 -0.844 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000566100654 325995171 /nfs/dbraw/zinc/99/51/71/325995171.db2.gz BAOULWQZVHECCF-SGIHWFKDSA-N 1 3 227.308 -0.844 20 0 BBADHO NC1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000566103308 388987530 /nfs/dbraw/zinc/98/75/30/388987530.db2.gz FRYJJEXASNTHRT-RXMQYKEDSA-N 1 3 225.214 -0.126 20 0 BBADHO NC1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000566103309 388987247 /nfs/dbraw/zinc/98/72/47/388987247.db2.gz FRYJJEXASNTHRT-YFKPBYRVSA-N 1 3 225.214 -0.126 20 0 BBADHO CC[NH+]1CCC(NCCC(=O)NC(N)=O)CC1 ZINC000566107940 388988643 /nfs/dbraw/zinc/98/86/43/388988643.db2.gz QHCHBDCHSNIVNA-UHFFFAOYSA-N 1 3 242.323 -0.355 20 0 BBADHO [NH3+]C1(CNC(=O)CCOC2CNC2)CCC1 ZINC000566187862 326008834 /nfs/dbraw/zinc/00/88/34/326008834.db2.gz GWRDSKPZOXZBLG-UHFFFAOYSA-N 1 3 227.308 -0.638 20 0 BBADHO O=C(COC1CNC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566188232 385070269 /nfs/dbraw/zinc/07/02/69/385070269.db2.gz QVQQUGAVWJBTIT-GFCCVEGCSA-N 1 3 239.319 -0.813 20 0 BBADHO O=C(COC1CNC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000566188235 322963279 /nfs/dbraw/zinc/96/32/79/322963279.db2.gz QVQQUGAVWJBTIT-LBPRGKRZSA-N 1 3 239.319 -0.813 20 0 BBADHO COCCNCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566189741 326009331 /nfs/dbraw/zinc/00/93/31/326009331.db2.gz WDFNQTWISXLGQI-GHMZBOCLSA-N 1 3 241.335 -0.567 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566189743 326009337 /nfs/dbraw/zinc/00/93/37/326009337.db2.gz WDFNQTWISXLGQI-MNOVXSKESA-N 1 3 241.335 -0.567 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566189745 326009395 /nfs/dbraw/zinc/00/93/95/326009395.db2.gz WDFNQTWISXLGQI-QWRGUYRKSA-N 1 3 241.335 -0.567 20 0 BBADHO COCCNCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566189747 326009343 /nfs/dbraw/zinc/00/93/43/326009343.db2.gz WDFNQTWISXLGQI-WDEREUQCSA-N 1 3 241.335 -0.567 20 0 BBADHO O=C(CNC[C@H]1CCCO1)NC1CC[NH2+]CC1 ZINC000566195961 326010430 /nfs/dbraw/zinc/01/04/30/326010430.db2.gz VYSUWLOIOONZMQ-LLVKDONJSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)NC1CC[NH2+]CC1 ZINC000566196005 326010437 /nfs/dbraw/zinc/01/04/37/326010437.db2.gz VYSUWLOIOONZMQ-NSHDSACASA-N 1 3 241.335 -0.377 20 0 BBADHO NC(C(=O)NCC[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000566199518 384076519 /nfs/dbraw/zinc/07/65/19/384076519.db2.gz BOPKELSRXPNPLA-BQBZGAKWSA-N 1 3 239.241 -0.008 20 0 BBADHO NC(C(=O)NCC[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000566199519 384076113 /nfs/dbraw/zinc/07/61/13/384076113.db2.gz BOPKELSRXPNPLA-NKWVEPMBSA-N 1 3 239.241 -0.008 20 0 BBADHO NC(C(=O)NCC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000566199520 384075829 /nfs/dbraw/zinc/07/58/29/384075829.db2.gz BOPKELSRXPNPLA-RNFRBKRXSA-N 1 3 239.241 -0.008 20 0 BBADHO NC(C(=O)NCC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000566199521 384076569 /nfs/dbraw/zinc/07/65/69/384076569.db2.gz BOPKELSRXPNPLA-RQJHMYQMSA-N 1 3 239.241 -0.008 20 0 BBADHO [NH3+][C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000566200665 326011904 /nfs/dbraw/zinc/01/19/04/326011904.db2.gz WCVAUGCWRPMQBL-UWVGGRQHSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+][C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000566200667 326005336 /nfs/dbraw/zinc/00/53/36/326005336.db2.gz WCVAUGCWRPMQBL-VHSXEESVSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+]CC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000566203337 326012584 /nfs/dbraw/zinc/01/25/84/326012584.db2.gz KHNUINUVECJRNB-UHFFFAOYSA-N 1 3 241.335 -0.438 20 0 BBADHO C[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(CN)c1 ZINC000566205752 326012334 /nfs/dbraw/zinc/01/23/34/326012334.db2.gz NNPIDKUKEOHECN-SECBINFHSA-N 1 3 234.303 -0.026 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)COC2CNC2)CC[NH2+]1 ZINC000566206298 326013244 /nfs/dbraw/zinc/01/32/44/326013244.db2.gz WNENMFOCVBUNRX-BDAKNGLRSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@H]1C[C@H](NC(=O)COC2CNC2)CC[NH2+]1 ZINC000566206299 326013208 /nfs/dbraw/zinc/01/32/08/326013208.db2.gz WNENMFOCVBUNRX-DTWKUNHWSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)COC2CNC2)CC[NH2+]1 ZINC000566206300 326013098 /nfs/dbraw/zinc/01/30/98/326013098.db2.gz WNENMFOCVBUNRX-IUCAKERBSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)COC2CNC2)CC[NH2+]1 ZINC000566206301 326012978 /nfs/dbraw/zinc/01/29/78/326012978.db2.gz WNENMFOCVBUNRX-RKDXNWHRSA-N 1 3 227.308 -0.769 20 0 BBADHO [NH3+][C@@H](CNC(=O)CCOC1CNC1)C1CC1 ZINC000566206362 326013081 /nfs/dbraw/zinc/01/30/81/326013081.db2.gz JDYAJOSHKVSPPW-JTQLQIEISA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+][C@H](CNC(=O)CCOC1CNC1)C1CC1 ZINC000566206363 326013139 /nfs/dbraw/zinc/01/31/39/326013139.db2.gz JDYAJOSHKVSPPW-SNVBAGLBSA-N 1 3 227.308 -0.782 20 0 BBADHO CC1(CNC(=O)COC2CNC2)CC[NH2+]CC1 ZINC000566206668 326013004 /nfs/dbraw/zinc/01/30/04/326013004.db2.gz BSVRPIZXLMPHDX-UHFFFAOYSA-N 1 3 241.335 -0.519 20 0 BBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000566207418 326013745 /nfs/dbraw/zinc/01/37/45/326013745.db2.gz DJBUEYCKGCWLQG-LLVKDONJSA-N 1 3 243.351 -0.097 20 0 BBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000566207419 326013680 /nfs/dbraw/zinc/01/36/80/326013680.db2.gz DJBUEYCKGCWLQG-NSHDSACASA-N 1 3 243.351 -0.097 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000566211538 326014504 /nfs/dbraw/zinc/01/45/04/326014504.db2.gz KCPBNFVWRXMNQB-HTQZYQBOSA-N 1 3 235.278 -0.045 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000566211548 326014403 /nfs/dbraw/zinc/01/44/03/326014403.db2.gz KCPBNFVWRXMNQB-JGVFFNPUSA-N 1 3 235.278 -0.045 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000566211549 326014464 /nfs/dbraw/zinc/01/44/64/326014464.db2.gz KCPBNFVWRXMNQB-SFYZADRCSA-N 1 3 235.278 -0.045 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000566211550 326014390 /nfs/dbraw/zinc/01/43/90/326014390.db2.gz KCPBNFVWRXMNQB-YUMQZZPRSA-N 1 3 235.278 -0.045 20 0 BBADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566211972 326014440 /nfs/dbraw/zinc/01/44/40/326014440.db2.gz OPJRTYATMDZQJW-CMPLNLGQSA-N 1 3 242.367 -0.476 20 0 BBADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566211974 326014526 /nfs/dbraw/zinc/01/45/26/326014526.db2.gz OPJRTYATMDZQJW-JQWIXIFHSA-N 1 3 242.367 -0.476 20 0 BBADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566211977 326014496 /nfs/dbraw/zinc/01/44/96/326014496.db2.gz OPJRTYATMDZQJW-PWSUYJOCSA-N 1 3 242.367 -0.476 20 0 BBADHO CCC[C@@](C)(N)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566211979 326014379 /nfs/dbraw/zinc/01/43/79/326014379.db2.gz OPJRTYATMDZQJW-ZYHUDNBSSA-N 1 3 242.367 -0.476 20 0 BBADHO C[C@@H]1CN(C(=O)COC2CNC2)C[C@@]1(C)C[NH3+] ZINC000566212552 326014174 /nfs/dbraw/zinc/01/41/74/326014174.db2.gz GDMSBQHRQMAOEO-BXKDBHETSA-N 1 3 241.335 -0.582 20 0 BBADHO CNCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000566213220 326014786 /nfs/dbraw/zinc/01/47/86/326014786.db2.gz YDQQLEJGOLXZKB-RXMQYKEDSA-N 1 3 213.203 -0.398 20 0 BBADHO CNCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000566213224 326014874 /nfs/dbraw/zinc/01/48/74/326014874.db2.gz YDQQLEJGOLXZKB-YFKPBYRVSA-N 1 3 213.203 -0.398 20 0 BBADHO CO[C@H](C[NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000566213534 326014943 /nfs/dbraw/zinc/01/49/43/326014943.db2.gz VKSYPIMBWKOBOF-MRVPVSSYSA-N 1 3 215.297 -0.830 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000566213535 326014911 /nfs/dbraw/zinc/01/49/11/326014911.db2.gz VKSYPIMBWKOBOF-QMMMGPOBSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H](C[NH3+])N(C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000566225372 326018451 /nfs/dbraw/zinc/01/84/51/326018451.db2.gz IRERZSGTNSPVIR-GHMZBOCLSA-N 1 3 242.367 -0.537 20 0 BBADHO C[C@H](C[NH3+])N(C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000566225373 326018616 /nfs/dbraw/zinc/01/86/16/326018616.db2.gz IRERZSGTNSPVIR-MNOVXSKESA-N 1 3 242.367 -0.537 20 0 BBADHO C[C@@H](C[NH3+])N(C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000566225374 326018229 /nfs/dbraw/zinc/01/82/29/326018229.db2.gz IRERZSGTNSPVIR-QWRGUYRKSA-N 1 3 242.367 -0.537 20 0 BBADHO C[C@@H](C[NH3+])N(C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000566225375 326018177 /nfs/dbraw/zinc/01/81/77/326018177.db2.gz IRERZSGTNSPVIR-WDEREUQCSA-N 1 3 242.367 -0.537 20 0 BBADHO C[NH2+]CCN(C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000566230627 326019105 /nfs/dbraw/zinc/01/91/05/326019105.db2.gz TWOGFMNZGBGBRH-LLVKDONJSA-N 1 3 242.367 -0.665 20 0 BBADHO C[NH2+]CCN(C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000566230628 326018899 /nfs/dbraw/zinc/01/88/99/326018899.db2.gz TWOGFMNZGBGBRH-NSHDSACASA-N 1 3 242.367 -0.665 20 0 BBADHO N[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000566237403 398330538 /nfs/dbraw/zinc/33/05/38/398330538.db2.gz SKVXFWGFZIIACJ-GRYCIOLGSA-N 1 3 249.314 -0.475 20 0 BBADHO N[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000566237407 322978353 /nfs/dbraw/zinc/97/83/53/322978353.db2.gz SKVXFWGFZIIACJ-IJLUTSLNSA-N 1 3 249.314 -0.475 20 0 BBADHO OCCN(CCN1CC[NH2+]CC1)C1CC1 ZINC000566246221 326022635 /nfs/dbraw/zinc/02/26/35/326022635.db2.gz QMGLOAWAXYOGKN-UHFFFAOYSA-N 1 3 213.325 -0.652 20 0 BBADHO COCCNCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000566248744 326024015 /nfs/dbraw/zinc/02/40/15/326024015.db2.gz FWKXYKVMTDXMKP-SECBINFHSA-N 1 3 231.340 -0.288 20 0 BBADHO COCCNCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000566248745 326024216 /nfs/dbraw/zinc/02/42/16/326024216.db2.gz FWKXYKVMTDXMKP-VIFPVBQESA-N 1 3 231.340 -0.288 20 0 BBADHO C[C@H]1CCN[C@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000566248912 326024322 /nfs/dbraw/zinc/02/43/22/326024322.db2.gz NBQRPUFERPOJBT-GUBZILKMSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]1CCN[C@@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000566248918 326024271 /nfs/dbraw/zinc/02/42/71/326024271.db2.gz NBQRPUFERPOJBT-KXUCPTDWSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]1CCN[C@@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000566248919 326023988 /nfs/dbraw/zinc/02/39/88/326023988.db2.gz NBQRPUFERPOJBT-LPEHRKFASA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000566248920 326023976 /nfs/dbraw/zinc/02/39/76/326023976.db2.gz NBQRPUFERPOJBT-UTLUCORTSA-N 1 3 211.309 -0.066 20 0 BBADHO COCCNCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566249297 326024210 /nfs/dbraw/zinc/02/42/10/326024210.db2.gz QZTSLXVDRKWUEY-KOLCDFICSA-N 1 3 227.308 -0.909 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000566250803 326024656 /nfs/dbraw/zinc/02/46/56/326024656.db2.gz GWDCGJCMENPWEA-AXFHLTTASA-N 1 3 243.351 -0.146 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000566250807 326024653 /nfs/dbraw/zinc/02/46/53/326024653.db2.gz GWDCGJCMENPWEA-DCAQKATOSA-N 1 3 243.351 -0.146 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000566250809 326024868 /nfs/dbraw/zinc/02/48/68/326024868.db2.gz GWDCGJCMENPWEA-MXWKQRLJSA-N 1 3 243.351 -0.146 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000566250811 326024788 /nfs/dbraw/zinc/02/47/88/326024788.db2.gz GWDCGJCMENPWEA-VWYCJHECSA-N 1 3 243.351 -0.146 20 0 BBADHO [NH3+]CC[C@@H]1CCCCN1C(=O)COC1CNC1 ZINC000566250890 326024626 /nfs/dbraw/zinc/02/46/26/326024626.db2.gz HKCIRZJUWSBRPY-JTQLQIEISA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]CC[C@H]1CCCCN1C(=O)COC1CNC1 ZINC000566250892 326024881 /nfs/dbraw/zinc/02/48/81/326024881.db2.gz HKCIRZJUWSBRPY-SNVBAGLBSA-N 1 3 241.335 -0.295 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566251010 326024607 /nfs/dbraw/zinc/02/46/07/326024607.db2.gz KRCYDURJLIKNTD-AXFHLTTASA-N 1 3 242.367 -0.620 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566251011 326024807 /nfs/dbraw/zinc/02/48/07/326024807.db2.gz KRCYDURJLIKNTD-DCAQKATOSA-N 1 3 242.367 -0.620 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566251012 326024596 /nfs/dbraw/zinc/02/45/96/326024596.db2.gz KRCYDURJLIKNTD-MXWKQRLJSA-N 1 3 242.367 -0.620 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566251013 326024753 /nfs/dbraw/zinc/02/47/53/326024753.db2.gz KRCYDURJLIKNTD-VWYCJHECSA-N 1 3 242.367 -0.620 20 0 BBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@]12C[C@H]1CC[NH2+]2 ZINC000566251273 326024839 /nfs/dbraw/zinc/02/48/39/326024839.db2.gz RCAXMTIJNFRHJA-MRTMQBJTSA-N 1 3 245.273 -0.148 20 0 BBADHO O=C(N[C@H]1CNCCC1(F)F)[C@]12C[C@H]1CC[NH2+]2 ZINC000566251275 326024645 /nfs/dbraw/zinc/02/46/45/326024645.db2.gz RCAXMTIJNFRHJA-WEDXCCLWSA-N 1 3 245.273 -0.148 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000566251888 326024679 /nfs/dbraw/zinc/02/46/79/326024679.db2.gz YOPCMMWLVHTZAP-SECBINFHSA-N 1 3 229.324 -0.521 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000566251890 326024795 /nfs/dbraw/zinc/02/47/95/326024795.db2.gz YOPCMMWLVHTZAP-VIFPVBQESA-N 1 3 229.324 -0.521 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](OC)C1 ZINC000566351090 326036236 /nfs/dbraw/zinc/03/62/36/326036236.db2.gz JWADQRCGWINJBX-UWVGGRQHSA-N 1 3 202.298 -0.323 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](OC)C1 ZINC000566351090 326036235 /nfs/dbraw/zinc/03/62/35/326036235.db2.gz JWADQRCGWINJBX-UWVGGRQHSA-N 1 3 202.298 -0.323 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](OC)C1 ZINC000566351091 326036021 /nfs/dbraw/zinc/03/60/21/326036021.db2.gz JWADQRCGWINJBX-VHSXEESVSA-N 1 3 202.298 -0.323 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](OC)C1 ZINC000566351091 326036018 /nfs/dbraw/zinc/03/60/18/326036018.db2.gz JWADQRCGWINJBX-VHSXEESVSA-N 1 3 202.298 -0.323 20 0 BBADHO CNCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000566405839 326039985 /nfs/dbraw/zinc/03/99/85/326039985.db2.gz CVVBBEVXZVLBDF-UHFFFAOYSA-N 1 3 211.309 -0.064 20 0 BBADHO CC[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)N(C)C ZINC000566452557 326049902 /nfs/dbraw/zinc/04/99/02/326049902.db2.gz MQNKTGUNLBGBIE-DCAQKATOSA-N 1 3 243.351 -0.540 20 0 BBADHO CC[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)N(C)C ZINC000566452558 326050257 /nfs/dbraw/zinc/05/02/57/326050257.db2.gz MQNKTGUNLBGBIE-VWYCJHECSA-N 1 3 243.351 -0.540 20 0 BBADHO COCCN(C)CCNC(=O)N(C)CCC[NH3+] ZINC000566513357 326061389 /nfs/dbraw/zinc/06/13/89/326061389.db2.gz WTGAIEOOPBPBLC-UHFFFAOYSA-N 1 3 246.355 -0.445 20 0 BBADHO [NH3+]C1(C(=O)NC[C@@H]2CNCCO2)CCCCC1 ZINC000566556677 326063628 /nfs/dbraw/zinc/06/36/28/326063628.db2.gz UDXJKUCAWFOZLE-JTQLQIEISA-N 1 3 241.335 -0.247 20 0 BBADHO [NH3+]C1(C(=O)NC[C@H]2CNCCO2)CCCCC1 ZINC000566556679 326063887 /nfs/dbraw/zinc/06/38/87/326063887.db2.gz UDXJKUCAWFOZLE-SNVBAGLBSA-N 1 3 241.335 -0.247 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)COC1CNC1 ZINC000566560819 326064141 /nfs/dbraw/zinc/06/41/41/326064141.db2.gz KJVYWLYHYHFHOF-SECBINFHSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)COC1CNC1 ZINC000566560820 326061379 /nfs/dbraw/zinc/06/13/79/326061379.db2.gz KJVYWLYHYHFHOF-VIFPVBQESA-N 1 3 229.324 -0.392 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](COC)C1 ZINC000566566681 326064645 /nfs/dbraw/zinc/06/46/45/326064645.db2.gz FNAGNUIUUMIVHV-GHMZBOCLSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](COC)C1 ZINC000566566681 326064644 /nfs/dbraw/zinc/06/46/44/326064644.db2.gz FNAGNUIUUMIVHV-GHMZBOCLSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](COC)C1 ZINC000566566681 326064642 /nfs/dbraw/zinc/06/46/42/326064642.db2.gz FNAGNUIUUMIVHV-GHMZBOCLSA-N 1 3 216.325 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H](COC)C1 ZINC000566566684 326064881 /nfs/dbraw/zinc/06/48/81/326064881.db2.gz FNAGNUIUUMIVHV-MNOVXSKESA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](COC)C1 ZINC000566566684 326064880 /nfs/dbraw/zinc/06/48/80/326064880.db2.gz FNAGNUIUUMIVHV-MNOVXSKESA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](COC)C1 ZINC000566566684 326064877 /nfs/dbraw/zinc/06/48/77/326064877.db2.gz FNAGNUIUUMIVHV-MNOVXSKESA-N 1 3 216.325 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CC[C@H](COC)C1 ZINC000566566685 326064740 /nfs/dbraw/zinc/06/47/40/326064740.db2.gz FNAGNUIUUMIVHV-QWRGUYRKSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](COC)C1 ZINC000566566685 326064737 /nfs/dbraw/zinc/06/47/37/326064737.db2.gz FNAGNUIUUMIVHV-QWRGUYRKSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](COC)C1 ZINC000566566685 326064736 /nfs/dbraw/zinc/06/47/36/326064736.db2.gz FNAGNUIUUMIVHV-QWRGUYRKSA-N 1 3 216.325 -0.075 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@H](COC)C1 ZINC000566566686 326064682 /nfs/dbraw/zinc/06/46/82/326064682.db2.gz FNAGNUIUUMIVHV-WDEREUQCSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](COC)C1 ZINC000566566686 326064680 /nfs/dbraw/zinc/06/46/80/326064680.db2.gz FNAGNUIUUMIVHV-WDEREUQCSA-N 1 3 216.325 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](COC)C1 ZINC000566566686 326064678 /nfs/dbraw/zinc/06/46/78/326064678.db2.gz FNAGNUIUUMIVHV-WDEREUQCSA-N 1 3 216.325 -0.075 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCOC1CNC1 ZINC000566615108 326067996 /nfs/dbraw/zinc/06/79/96/326067996.db2.gz LLWCDYNMRNVDMD-NXEZZACHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCOC1CNC1 ZINC000566615113 326067981 /nfs/dbraw/zinc/06/79/81/326067981.db2.gz LLWCDYNMRNVDMD-UWVGGRQHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCOC1CNC1 ZINC000566615114 326068099 /nfs/dbraw/zinc/06/80/99/326068099.db2.gz LLWCDYNMRNVDMD-VHSXEESVSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCOC1CNC1 ZINC000566615117 326068065 /nfs/dbraw/zinc/06/80/65/326068065.db2.gz LLWCDYNMRNVDMD-ZJUUUORDSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@]1(C(=O)NC[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000566621001 326069002 /nfs/dbraw/zinc/06/90/02/326069002.db2.gz RHABVFVNKXTYKC-CMPLNLGQSA-N 1 3 241.335 -0.519 20 0 BBADHO C[C@]1(C(=O)NC[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000566621002 326068924 /nfs/dbraw/zinc/06/89/24/326068924.db2.gz RHABVFVNKXTYKC-JQWIXIFHSA-N 1 3 241.335 -0.519 20 0 BBADHO C[C@]1(C(=O)NC[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000566621003 326068720 /nfs/dbraw/zinc/06/87/20/326068720.db2.gz RHABVFVNKXTYKC-PWSUYJOCSA-N 1 3 241.335 -0.519 20 0 BBADHO C[C@@]1(C(=O)NC[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000566621004 326068909 /nfs/dbraw/zinc/06/89/09/326068909.db2.gz RHABVFVNKXTYKC-ZYHUDNBSSA-N 1 3 241.335 -0.519 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566672807 326072379 /nfs/dbraw/zinc/07/23/79/326072379.db2.gz ARSNWDNDXOLRJP-LNFKQOIKSA-N 1 3 241.335 -0.454 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566672808 326072533 /nfs/dbraw/zinc/07/25/33/326072533.db2.gz ARSNWDNDXOLRJP-UKKRHICBSA-N 1 3 241.335 -0.454 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566672809 326072474 /nfs/dbraw/zinc/07/24/74/326072474.db2.gz ARSNWDNDXOLRJP-XWLWVQCSSA-N 1 3 241.335 -0.454 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000566672810 326072389 /nfs/dbraw/zinc/07/23/89/326072389.db2.gz ARSNWDNDXOLRJP-ZRUFSTJUSA-N 1 3 241.335 -0.454 20 0 BBADHO C[C@@H]([NH3+])CCC(=O)N1CCN(C)C[C@H]1CN ZINC000566676955 326073025 /nfs/dbraw/zinc/07/30/25/326073025.db2.gz OUSSFZBACDYUEM-NXEZZACHSA-N 1 3 228.340 -0.785 20 0 BBADHO C[C@H]([NH3+])CCC(=O)N1CCN(C)C[C@@H]1CN ZINC000566676963 326073214 /nfs/dbraw/zinc/07/32/14/326073214.db2.gz OUSSFZBACDYUEM-UWVGGRQHSA-N 1 3 228.340 -0.785 20 0 BBADHO C[C@H]([NH3+])CCC(=O)N1CCN(C)C[C@H]1CN ZINC000566676964 326073119 /nfs/dbraw/zinc/07/31/19/326073119.db2.gz OUSSFZBACDYUEM-VHSXEESVSA-N 1 3 228.340 -0.785 20 0 BBADHO C[C@@H]([NH3+])CCC(=O)N1CCN(C)C[C@@H]1CN ZINC000566676965 326073053 /nfs/dbraw/zinc/07/30/53/326073053.db2.gz OUSSFZBACDYUEM-ZJUUUORDSA-N 1 3 228.340 -0.785 20 0 BBADHO CN(C(=O)C[C@H]1CNCCO1)C1(C[NH3+])CCC1 ZINC000566678965 326073675 /nfs/dbraw/zinc/07/36/75/326073675.db2.gz OBJAQRKSFDRKLQ-JTQLQIEISA-N 1 3 241.335 -0.295 20 0 BBADHO CN(C(=O)C[C@@H]1CNCCO1)C1(C[NH3+])CCC1 ZINC000566678966 326073467 /nfs/dbraw/zinc/07/34/67/326073467.db2.gz OBJAQRKSFDRKLQ-SNVBAGLBSA-N 1 3 241.335 -0.295 20 0 BBADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000566736562 326078524 /nfs/dbraw/zinc/07/85/24/326078524.db2.gz FSFVRMJIQZWRRK-AEJSXWLSSA-N 1 3 211.309 -0.256 20 0 BBADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000566736563 326078559 /nfs/dbraw/zinc/07/85/59/326078559.db2.gz FSFVRMJIQZWRRK-BBBLOLIVSA-N 1 3 211.309 -0.256 20 0 BBADHO C[C@H]1CC[N@@H+](CCNC(=O)COC2CNC2)C1 ZINC000566740080 326079046 /nfs/dbraw/zinc/07/90/46/326079046.db2.gz NFRXSPHPPCJWLV-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[C@H]1CC[N@H+](CCNC(=O)COC2CNC2)C1 ZINC000566740080 326079044 /nfs/dbraw/zinc/07/90/44/326079044.db2.gz NFRXSPHPPCJWLV-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[C@@H]1CC[N@@H+](CCNC(=O)COC2CNC2)C1 ZINC000566740081 326078926 /nfs/dbraw/zinc/07/89/26/326078926.db2.gz NFRXSPHPPCJWLV-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO C[C@@H]1CC[N@H+](CCNC(=O)COC2CNC2)C1 ZINC000566740081 326078925 /nfs/dbraw/zinc/07/89/25/326078925.db2.gz NFRXSPHPPCJWLV-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)CNC[C@H]1CCCO1 ZINC000566795716 326083457 /nfs/dbraw/zinc/08/34/57/326083457.db2.gz VKCLBGRCVQOOPY-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)CNC[C@@H]1CCCO1 ZINC000566795717 326082027 /nfs/dbraw/zinc/08/20/27/326082027.db2.gz VKCLBGRCVQOOPY-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@@H](C[NH3+])N(C)C(=O)CNC[C@H]1CCCO1 ZINC000566795718 326082240 /nfs/dbraw/zinc/08/22/40/326082240.db2.gz VKCLBGRCVQOOPY-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@H](C[NH3+])N(C)C(=O)CNC[C@@H]1CCCO1 ZINC000566795719 326082070 /nfs/dbraw/zinc/08/20/70/326082070.db2.gz VKCLBGRCVQOOPY-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566795800 326083464 /nfs/dbraw/zinc/08/34/64/326083464.db2.gz XDFCNWPKKUHSIH-DCAQKATOSA-N 1 3 243.351 -0.159 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566795803 326083085 /nfs/dbraw/zinc/08/30/85/326083085.db2.gz XDFCNWPKKUHSIH-GMTAPVOTSA-N 1 3 243.351 -0.159 20 0 BBADHO CN(CC[NH3+])C(=O)[C@@H](N)Cc1ccccc1 ZINC000566796026 326084098 /nfs/dbraw/zinc/08/40/98/326084098.db2.gz FXLKSOUNVHLQJV-NSHDSACASA-N 1 3 221.304 -0.027 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566909753 326092980 /nfs/dbraw/zinc/09/29/80/326092980.db2.gz SQMYUAXVJHCIOK-HOSYDEDBSA-N 1 3 223.320 -0.064 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566909757 326092856 /nfs/dbraw/zinc/09/28/56/326092856.db2.gz SQMYUAXVJHCIOK-UMNHJUIQSA-N 1 3 223.320 -0.064 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000566913569 326093648 /nfs/dbraw/zinc/09/36/48/326093648.db2.gz DPDBZNXVBJLMIT-UWVGGRQHSA-N 1 3 229.324 -0.454 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000566913572 326093610 /nfs/dbraw/zinc/09/36/10/326093610.db2.gz DPDBZNXVBJLMIT-ZJUUUORDSA-N 1 3 229.324 -0.454 20 0 BBADHO [NH3+]C[C@@H](NC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000567108904 326117573 /nfs/dbraw/zinc/11/75/73/326117573.db2.gz GIWSNYDVBGJPMX-NXEZZACHSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+]C[C@H](NC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000567108905 326117680 /nfs/dbraw/zinc/11/76/80/326117680.db2.gz GIWSNYDVBGJPMX-UWVGGRQHSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+]C[C@@H](NC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000567108906 326117625 /nfs/dbraw/zinc/11/76/25/326117625.db2.gz GIWSNYDVBGJPMX-VHSXEESVSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+]C[C@H](NC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000567108907 326117834 /nfs/dbraw/zinc/11/78/34/326117834.db2.gz GIWSNYDVBGJPMX-ZJUUUORDSA-N 1 3 227.308 -0.782 20 0 BBADHO COCCNCC(=O)N(C)C1CC[NH2+]CC1 ZINC000567109526 326113966 /nfs/dbraw/zinc/11/39/66/326113966.db2.gz NUCHGHOQFCXKKY-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CN(CC[NH3+])C(=O)[C@H](N)Cc1ccccc1 ZINC000567109887 326114348 /nfs/dbraw/zinc/11/43/48/326114348.db2.gz FXLKSOUNVHLQJV-LLVKDONJSA-N 1 3 221.304 -0.027 20 0 BBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH3+])CC1 ZINC000567165765 326127419 /nfs/dbraw/zinc/12/74/19/326127419.db2.gz ZJEAFULFBRISEZ-UHFFFAOYSA-N 1 3 243.351 -0.360 20 0 BBADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CNCCO1 ZINC000567166007 326127294 /nfs/dbraw/zinc/12/72/94/326127294.db2.gz IBNRGNHMFUYEIK-NXEZZACHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CNCCO1 ZINC000567166008 326127384 /nfs/dbraw/zinc/12/73/84/326127384.db2.gz IBNRGNHMFUYEIK-UWVGGRQHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CNCCO1 ZINC000567166009 326127204 /nfs/dbraw/zinc/12/72/04/326127204.db2.gz IBNRGNHMFUYEIK-VHSXEESVSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CNCCO1 ZINC000567166010 326127403 /nfs/dbraw/zinc/12/74/03/326127403.db2.gz IBNRGNHMFUYEIK-ZJUUUORDSA-N 1 3 227.308 -0.767 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CCNC[C@@](C)(F)C1 ZINC000567172646 326128743 /nfs/dbraw/zinc/12/87/43/326128743.db2.gz WWQKXSKGONSHDS-GHMZBOCLSA-N 1 3 233.331 -0.410 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CCNC[C@@](C)(F)C1 ZINC000567172647 326128810 /nfs/dbraw/zinc/12/88/10/326128810.db2.gz WWQKXSKGONSHDS-MNOVXSKESA-N 1 3 233.331 -0.410 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CCNC[C@](C)(F)C1 ZINC000567172648 326128769 /nfs/dbraw/zinc/12/87/69/326128769.db2.gz WWQKXSKGONSHDS-QWRGUYRKSA-N 1 3 233.331 -0.410 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CCNC[C@](C)(F)C1 ZINC000567172649 326128698 /nfs/dbraw/zinc/12/86/98/326128698.db2.gz WWQKXSKGONSHDS-WDEREUQCSA-N 1 3 233.331 -0.410 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567233435 326147492 /nfs/dbraw/zinc/14/74/92/326147492.db2.gz NDBLINHWUCPKAL-BBBLOLIVSA-N 1 3 223.320 -0.195 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567233436 326147405 /nfs/dbraw/zinc/14/74/05/326147405.db2.gz NDBLINHWUCPKAL-LPEHRKFASA-N 1 3 223.320 -0.195 20 0 BBADHO CC[C@@H](N)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000567267995 326153556 /nfs/dbraw/zinc/15/35/56/326153556.db2.gz XYIKCCLMUYOWGQ-SNVBAGLBSA-N 1 3 243.351 -0.144 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CNCCO1 ZINC000567268770 323383729 /nfs/dbraw/zinc/38/37/29/323383729.db2.gz PVBFIFWAEHRWGQ-AEJSXWLSSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CNCCO1 ZINC000567268773 323383681 /nfs/dbraw/zinc/38/36/81/323383681.db2.gz PVBFIFWAEHRWGQ-GUBZILKMSA-N 1 3 227.308 -0.687 20 0 BBADHO O=C(COC1CNC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000567350669 326171430 /nfs/dbraw/zinc/17/14/30/326171430.db2.gz SMCNCUUPUPYHDN-GXSJLCMTSA-N 1 3 239.319 -0.815 20 0 BBADHO O=C(COC1CNC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000567350670 326171637 /nfs/dbraw/zinc/17/16/37/326171637.db2.gz SMCNCUUPUPYHDN-KOLCDFICSA-N 1 3 239.319 -0.815 20 0 BBADHO O=C(COC1CNC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000567350671 326171406 /nfs/dbraw/zinc/17/14/06/326171406.db2.gz SMCNCUUPUPYHDN-MWLCHTKSSA-N 1 3 239.319 -0.815 20 0 BBADHO O=C(COC1CNC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000567350672 326171340 /nfs/dbraw/zinc/17/13/40/326171340.db2.gz SMCNCUUPUPYHDN-ONGXEEELSA-N 1 3 239.319 -0.815 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000567353918 326172433 /nfs/dbraw/zinc/17/24/33/326172433.db2.gz OPMPNCGTEHTZLP-NXEZZACHSA-N 1 3 243.351 -0.064 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000567353919 326172623 /nfs/dbraw/zinc/17/26/23/326172623.db2.gz OPMPNCGTEHTZLP-VHSXEESVSA-N 1 3 243.351 -0.064 20 0 BBADHO CCOCC[C@@H](O)CNC[C@@H](O)C[NH+](C)C ZINC000567385625 326181104 /nfs/dbraw/zinc/18/11/04/326181104.db2.gz JEGRCWFZQYZBCV-GHMZBOCLSA-N 1 3 234.340 -0.714 20 0 BBADHO CCOCC[C@@H](O)CNC[C@H](O)C[NH+](C)C ZINC000567385626 326181368 /nfs/dbraw/zinc/18/13/68/326181368.db2.gz JEGRCWFZQYZBCV-MNOVXSKESA-N 1 3 234.340 -0.714 20 0 BBADHO CCOCC[C@H](O)CNC[C@H](O)C[NH+](C)C ZINC000567385627 326181199 /nfs/dbraw/zinc/18/11/99/326181199.db2.gz JEGRCWFZQYZBCV-QWRGUYRKSA-N 1 3 234.340 -0.714 20 0 BBADHO CCOCC[C@H](O)CNC[C@@H](O)C[NH+](C)C ZINC000567385628 326181407 /nfs/dbraw/zinc/18/14/07/326181407.db2.gz JEGRCWFZQYZBCV-WDEREUQCSA-N 1 3 234.340 -0.714 20 0 BBADHO Nc1ncc(CNCCN2CC[NH2+]CC2)s1 ZINC000567385943 411964949 /nfs/dbraw/zinc/96/49/49/411964949.db2.gz XUYYYGZPQWUAGT-UHFFFAOYSA-N 1 3 241.364 -0.280 20 0 BBADHO C[NH+](C)C[C@H](O)CNC[C@H](O)CC(F)(F)F ZINC000567471664 326199523 /nfs/dbraw/zinc/19/95/23/326199523.db2.gz WOHDXZZQQZFTHC-HTQZYQBOSA-N 1 3 244.257 -0.188 20 0 BBADHO C[NH+](C)C[C@H](O)CNC[C@@H](O)CC(F)(F)F ZINC000567471665 326199514 /nfs/dbraw/zinc/19/95/14/326199514.db2.gz WOHDXZZQQZFTHC-JGVFFNPUSA-N 1 3 244.257 -0.188 20 0 BBADHO C[NH+](C)C[C@@H](O)CNC[C@H](O)CC(F)(F)F ZINC000567471666 326199693 /nfs/dbraw/zinc/19/96/93/326199693.db2.gz WOHDXZZQQZFTHC-SFYZADRCSA-N 1 3 244.257 -0.188 20 0 BBADHO C[NH+](C)C[C@@H](O)CNC[C@@H](O)CC(F)(F)F ZINC000567471667 326199633 /nfs/dbraw/zinc/19/96/33/326199633.db2.gz WOHDXZZQQZFTHC-YUMQZZPRSA-N 1 3 244.257 -0.188 20 0 BBADHO [NH3+]CCC1CCN(C(=O)COC2CNC2)CC1 ZINC000567514219 326208535 /nfs/dbraw/zinc/20/85/35/326208535.db2.gz GLYKTSBELYCQJY-UHFFFAOYSA-N 1 3 241.335 -0.438 20 0 BBADHO CN[C@@H](C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000567519351 412295563 /nfs/dbraw/zinc/29/55/63/412295563.db2.gz HICWDGXJDZQYAR-VIFPVBQESA-N 1 3 239.323 -0.009 20 0 BBADHO C[C@@H]1CN(CCN2CC[NH2+]CC2)[C@H](C)CN1C ZINC000567589383 326223901 /nfs/dbraw/zinc/22/39/01/326223901.db2.gz KOLNMVXDHFEMSS-CHWSQXEVSA-N 1 3 240.395 -0.084 20 0 BBADHO C[C@@H]1CN(CCN2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000567589384 326224224 /nfs/dbraw/zinc/22/42/24/326224224.db2.gz KOLNMVXDHFEMSS-OLZOCXBDSA-N 1 3 240.395 -0.084 20 0 BBADHO C[C@@H]1CN(C)[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000567589385 326224127 /nfs/dbraw/zinc/22/41/27/326224127.db2.gz KOLNMVXDHFEMSS-QWHCGFSZSA-N 1 3 240.395 -0.084 20 0 BBADHO C[C@H]1CN(CCN2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000567589386 326224299 /nfs/dbraw/zinc/22/42/99/326224299.db2.gz KOLNMVXDHFEMSS-STQMWFEESA-N 1 3 240.395 -0.084 20 0 BBADHO NC(C(=O)N1CCO[C@@H](C[NH3+])C1)C(F)(F)F ZINC000567611739 326228400 /nfs/dbraw/zinc/22/84/00/326228400.db2.gz GPHIWTOEVFDYIJ-NTSWFWBYSA-N 1 3 241.213 -0.938 20 0 BBADHO NC(C(=O)N1CCO[C@H](C[NH3+])C1)C(F)(F)F ZINC000567611740 326228480 /nfs/dbraw/zinc/22/84/80/326228480.db2.gz GPHIWTOEVFDYIJ-PHDIDXHHSA-N 1 3 241.213 -0.938 20 0 BBADHO NC(C(=O)N1CCO[C@H](C[NH3+])C1)C(F)(F)F ZINC000567611741 326229151 /nfs/dbraw/zinc/22/91/51/326229151.db2.gz GPHIWTOEVFDYIJ-RITPCOANSA-N 1 3 241.213 -0.938 20 0 BBADHO NC(C(=O)N1CCO[C@@H](C[NH3+])C1)C(F)(F)F ZINC000567611742 326229024 /nfs/dbraw/zinc/22/90/24/326229024.db2.gz GPHIWTOEVFDYIJ-WDSKDSINSA-N 1 3 241.213 -0.938 20 0 BBADHO CCCN(C)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000567612655 326228942 /nfs/dbraw/zinc/22/89/42/326228942.db2.gz ZVWDVXXSMSEOTN-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO CCCN(C)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000567612656 326229110 /nfs/dbraw/zinc/22/91/10/326229110.db2.gz ZVWDVXXSMSEOTN-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO O=C(N1CCCNCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000567614030 326229385 /nfs/dbraw/zinc/22/93/85/326229385.db2.gz ZMKSWDUQIHQBKH-KOLCDFICSA-N 1 3 209.293 -0.440 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)CNC[C@H]1CCCO1 ZINC000567673599 326242665 /nfs/dbraw/zinc/24/26/65/326242665.db2.gz WGILFLIMLZNJRR-GHMZBOCLSA-N 1 3 243.351 -0.131 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)CNC[C@@H]1CCCO1 ZINC000567673600 326242534 /nfs/dbraw/zinc/24/25/34/326242534.db2.gz WGILFLIMLZNJRR-MNOVXSKESA-N 1 3 243.351 -0.131 20 0 BBADHO CC(C)(C[NH3+])C(=O)NC[C@H]1CNCCO1 ZINC000567674924 326243018 /nfs/dbraw/zinc/24/30/18/326243018.db2.gz PDBQYLLUUNCDSN-MRVPVSSYSA-N 1 3 215.297 -0.924 20 0 BBADHO CC(C)(C[NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC000567674925 326243003 /nfs/dbraw/zinc/24/30/03/326243003.db2.gz PDBQYLLUUNCDSN-QMMMGPOBSA-N 1 3 215.297 -0.924 20 0 BBADHO COCC[N@@H+](C)CCCNC(=O)CNC1CC1 ZINC000567779365 326257797 /nfs/dbraw/zinc/25/77/97/326257797.db2.gz MSFDWKLLMBFNJK-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO COCC[N@H+](C)CCCNC(=O)CNC1CC1 ZINC000567779365 326257795 /nfs/dbraw/zinc/25/77/95/326257795.db2.gz MSFDWKLLMBFNJK-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO COCCN1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000567801207 326259481 /nfs/dbraw/zinc/25/94/81/326259481.db2.gz HLOLDRXAXFCJQE-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO COCCN1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000567801208 326259466 /nfs/dbraw/zinc/25/94/66/326259466.db2.gz HLOLDRXAXFCJQE-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO CC[C@@H](N)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000567821515 326263483 /nfs/dbraw/zinc/26/34/83/326263483.db2.gz AYARLDJIGKFNMA-LLVKDONJSA-N 1 3 243.351 -0.313 20 0 BBADHO COCCNCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000567829796 326265533 /nfs/dbraw/zinc/26/55/33/326265533.db2.gz QKFQBTCQQIAGHU-JTQLQIEISA-N 1 3 243.351 -0.192 20 0 BBADHO COCCNCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000567829797 326265442 /nfs/dbraw/zinc/26/54/42/326265442.db2.gz QKFQBTCQQIAGHU-SNVBAGLBSA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000567831828 323091257 /nfs/dbraw/zinc/09/12/57/323091257.db2.gz WSJAXGVBFPVAJN-IVZWLZJFSA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000567831829 323091266 /nfs/dbraw/zinc/09/12/66/323091266.db2.gz WSJAXGVBFPVAJN-KXUCPTDWSA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000567831830 323091232 /nfs/dbraw/zinc/09/12/32/323091232.db2.gz WSJAXGVBFPVAJN-LPEHRKFASA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000567831831 323091236 /nfs/dbraw/zinc/09/12/36/323091236.db2.gz WSJAXGVBFPVAJN-OPRDCNLKSA-N 1 3 229.324 -0.454 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000567832055 326265818 /nfs/dbraw/zinc/26/58/18/326265818.db2.gz LNSHZPNZYCLEKB-GMSGAONNSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@H](NC1CC1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000567832056 326265813 /nfs/dbraw/zinc/26/58/13/326265813.db2.gz LNSHZPNZYCLEKB-OIBJUYFYSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000567832057 326265872 /nfs/dbraw/zinc/26/58/72/326265872.db2.gz LNSHZPNZYCLEKB-XCBNKYQSSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@H](NC1CC1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000567832058 326265773 /nfs/dbraw/zinc/26/57/73/326265773.db2.gz LNSHZPNZYCLEKB-XVKPBYJWSA-N 1 3 211.309 -0.020 20 0 BBADHO CC[NH2+]CCCNC(=O)CCOC1CNC1 ZINC000567834362 326266205 /nfs/dbraw/zinc/26/62/05/326266205.db2.gz RUGKMJSIDKJLLS-UHFFFAOYSA-N 1 3 229.324 -0.519 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000567834692 326266197 /nfs/dbraw/zinc/26/61/97/326266197.db2.gz YPKKOSWNHXLPGE-SECBINFHSA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000567834693 326266174 /nfs/dbraw/zinc/26/61/74/326266174.db2.gz YPKKOSWNHXLPGE-VIFPVBQESA-N 1 3 227.308 -0.815 20 0 BBADHO COCC[NH2+]CCNC(=O)C1(N)CCC1 ZINC000567838464 326267374 /nfs/dbraw/zinc/26/73/74/326267374.db2.gz ZZRLGAAHHQULJR-UHFFFAOYSA-N 1 3 215.297 -0.780 20 0 BBADHO O=C(C[C@H]1CNCCO1)N[C@H]1CCC[NH2+]C1 ZINC000567838632 326267518 /nfs/dbraw/zinc/26/75/18/326267518.db2.gz TUUWVHRPCAXZFC-UWVGGRQHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CCC[NH2+]C1 ZINC000567838633 326267425 /nfs/dbraw/zinc/26/74/25/326267425.db2.gz TUUWVHRPCAXZFC-VHSXEESVSA-N 1 3 227.308 -0.767 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@H](N)CCSC ZINC000567838833 326267594 /nfs/dbraw/zinc/26/75/94/326267594.db2.gz QKLDLCZMDAVMPB-SECBINFHSA-N 1 3 249.380 -0.581 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@@H](N)CCSC ZINC000567838834 326267514 /nfs/dbraw/zinc/26/75/14/326267514.db2.gz QKLDLCZMDAVMPB-VIFPVBQESA-N 1 3 249.380 -0.581 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000567842029 326268132 /nfs/dbraw/zinc/26/81/32/326268132.db2.gz ZNXIZZGEYUWCKX-AXFHLTTASA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000567842030 326268393 /nfs/dbraw/zinc/26/83/93/326268393.db2.gz ZNXIZZGEYUWCKX-DCAQKATOSA-N 1 3 241.335 -0.378 20 0 BBADHO C[NH2+]CCC(=O)N[C@@H]1CNCCC1(F)F ZINC000567845101 326268498 /nfs/dbraw/zinc/26/84/98/326268498.db2.gz JZJRKNZRHSSLQA-SSDOTTSWSA-N 1 3 221.251 -0.291 20 0 BBADHO C[NH2+]CCC(=O)N[C@H]1CNCCC1(F)F ZINC000567845102 326268801 /nfs/dbraw/zinc/26/88/01/326268801.db2.gz JZJRKNZRHSSLQA-ZETCQYMHSA-N 1 3 221.251 -0.291 20 0 BBADHO NC1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCC1 ZINC000567845428 326269033 /nfs/dbraw/zinc/26/90/33/326269033.db2.gz YFCWBFPKKFYRDN-SECBINFHSA-N 1 3 227.308 -0.638 20 0 BBADHO NC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCC1 ZINC000567845429 326269172 /nfs/dbraw/zinc/26/91/72/326269172.db2.gz YFCWBFPKKFYRDN-VIFPVBQESA-N 1 3 227.308 -0.638 20 0 BBADHO NC1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCC1 ZINC000567845680 326268916 /nfs/dbraw/zinc/26/89/16/326268916.db2.gz CGKNBHXBKKBRLQ-LURJTMIESA-N 1 3 221.251 -0.034 20 0 BBADHO NC1(C(=O)N[C@H](CC[NH3+])C(F)F)CCC1 ZINC000567845681 326268840 /nfs/dbraw/zinc/26/88/40/326268840.db2.gz CGKNBHXBKKBRLQ-ZCFIWIBFSA-N 1 3 221.251 -0.034 20 0 BBADHO CC(C)[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000567845812 326269127 /nfs/dbraw/zinc/26/91/27/326269127.db2.gz IRSDUYQXHDOIPF-UWVGGRQHSA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000567845813 326268952 /nfs/dbraw/zinc/26/89/52/326268952.db2.gz IRSDUYQXHDOIPF-ZJUUUORDSA-N 1 3 229.324 -0.536 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000567846055 326268966 /nfs/dbraw/zinc/26/89/66/326268966.db2.gz SIENCLBHEAHQEQ-HOSYDEDBSA-N 1 3 239.319 -0.909 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000567846056 326269060 /nfs/dbraw/zinc/26/90/60/326269060.db2.gz SIENCLBHEAHQEQ-JBLDHEPKSA-N 1 3 239.319 -0.909 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000567846057 326269070 /nfs/dbraw/zinc/26/90/70/326269070.db2.gz SIENCLBHEAHQEQ-NHCYSSNCSA-N 1 3 239.319 -0.909 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000567846058 326269010 /nfs/dbraw/zinc/26/90/10/326269010.db2.gz SIENCLBHEAHQEQ-UMNHJUIQSA-N 1 3 239.319 -0.909 20 0 BBADHO C[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567846538 326268851 /nfs/dbraw/zinc/26/88/51/326268851.db2.gz GNIQMTGSGOTQHG-CRCLSJGQSA-N 1 3 213.203 -0.271 20 0 BBADHO C[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567846539 326268870 /nfs/dbraw/zinc/26/88/70/326268870.db2.gz GNIQMTGSGOTQHG-RFZPGFLSSA-N 1 3 213.203 -0.271 20 0 BBADHO C[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567846540 326268927 /nfs/dbraw/zinc/26/89/27/326268927.db2.gz GNIQMTGSGOTQHG-UHNVWZDZSA-N 1 3 213.203 -0.271 20 0 BBADHO C[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567846541 326268991 /nfs/dbraw/zinc/26/89/91/326268991.db2.gz GNIQMTGSGOTQHG-WHFBIAKZSA-N 1 3 213.203 -0.271 20 0 BBADHO CCN(CC)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000567847430 326269312 /nfs/dbraw/zinc/26/93/12/326269312.db2.gz MVWOHJWPNWFKST-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO CCN(CC)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000567847431 326269368 /nfs/dbraw/zinc/26/93/68/326269368.db2.gz MVWOHJWPNWFKST-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO C[C@@H](NC(=O)C(N)C(F)(F)F)[C@H](C)[NH3+] ZINC000567848419 326269912 /nfs/dbraw/zinc/26/99/12/326269912.db2.gz CHHXRUFJYHWBDL-LMVFSUKVSA-N 1 3 213.203 -0.272 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000567848420 326269836 /nfs/dbraw/zinc/26/98/36/326269836.db2.gz CHHXRUFJYHWBDL-VAYJURFESA-N 1 3 213.203 -0.272 20 0 BBADHO C[C@@H](NC(=O)C(N)C(F)(F)F)[C@H](C)[NH3+] ZINC000567848421 326269929 /nfs/dbraw/zinc/26/99/29/326269929.db2.gz CHHXRUFJYHWBDL-VPENINKCSA-N 1 3 213.203 -0.272 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000567848422 326269787 /nfs/dbraw/zinc/26/97/87/326269787.db2.gz CHHXRUFJYHWBDL-YUPRTTJUSA-N 1 3 213.203 -0.272 20 0 BBADHO CSC[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000567875473 326274880 /nfs/dbraw/zinc/27/48/80/326274880.db2.gz FOOIGNZSKGKAAN-GHMZBOCLSA-N 1 3 248.392 -0.243 20 0 BBADHO CSC[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000567875474 326275091 /nfs/dbraw/zinc/27/50/91/326275091.db2.gz FOOIGNZSKGKAAN-MNOVXSKESA-N 1 3 248.392 -0.243 20 0 BBADHO CSC[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000567875475 326274970 /nfs/dbraw/zinc/27/49/70/326274970.db2.gz FOOIGNZSKGKAAN-QWRGUYRKSA-N 1 3 248.392 -0.243 20 0 BBADHO CSC[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000567875476 326274809 /nfs/dbraw/zinc/27/48/09/326274809.db2.gz FOOIGNZSKGKAAN-WDEREUQCSA-N 1 3 248.392 -0.243 20 0 BBADHO C[C@@H]([NH3+])CN1CCNC[C@@H]1c1nccn1C ZINC000567889780 326276957 /nfs/dbraw/zinc/27/69/57/326276957.db2.gz URTZVDPXMMIFGU-NXEZZACHSA-N 1 3 223.324 -0.286 20 0 BBADHO C[C@H]([NH3+])CN1CCNC[C@H]1c1nccn1C ZINC000567889781 326277036 /nfs/dbraw/zinc/27/70/36/326277036.db2.gz URTZVDPXMMIFGU-UWVGGRQHSA-N 1 3 223.324 -0.286 20 0 BBADHO C[C@H]([NH3+])CN1CCNC[C@@H]1c1nccn1C ZINC000567889782 326276999 /nfs/dbraw/zinc/27/69/99/326276999.db2.gz URTZVDPXMMIFGU-VHSXEESVSA-N 1 3 223.324 -0.286 20 0 BBADHO C[C@@H]([NH3+])CN1CCNC[C@H]1c1nccn1C ZINC000567889783 326277209 /nfs/dbraw/zinc/27/72/09/326277209.db2.gz URTZVDPXMMIFGU-ZJUUUORDSA-N 1 3 223.324 -0.286 20 0 BBADHO O=C(NC[C@H]1CNCCO1)[C@@H]1CCC[NH2+]C1 ZINC000567891009 326277572 /nfs/dbraw/zinc/27/75/72/326277572.db2.gz UQBXERPBBILHSQ-NXEZZACHSA-N 1 3 227.308 -0.909 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]C1 ZINC000567891010 326277638 /nfs/dbraw/zinc/27/76/38/326277638.db2.gz UQBXERPBBILHSQ-ZJUUUORDSA-N 1 3 227.308 -0.909 20 0 BBADHO COCCNCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000567897988 326279489 /nfs/dbraw/zinc/27/94/89/326279489.db2.gz WHOPPDKDOQYPAD-NXEZZACHSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCNCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000567897989 326279164 /nfs/dbraw/zinc/27/91/64/326279164.db2.gz WHOPPDKDOQYPAD-UWVGGRQHSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCNCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000567897990 326279482 /nfs/dbraw/zinc/27/94/82/326279482.db2.gz WHOPPDKDOQYPAD-VHSXEESVSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCNCC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000567897991 326279377 /nfs/dbraw/zinc/27/93/77/326279377.db2.gz WHOPPDKDOQYPAD-ZJUUUORDSA-N 1 3 229.324 -0.582 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000567907145 326280921 /nfs/dbraw/zinc/28/09/21/326280921.db2.gz DVIVTJVAXXJQCI-BBBLOLIVSA-N 1 3 229.324 -0.454 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000567907146 326280997 /nfs/dbraw/zinc/28/09/97/326280997.db2.gz DVIVTJVAXXJQCI-UTLUCORTSA-N 1 3 229.324 -0.454 20 0 BBADHO C[NH2+]CC(=O)N(CCOC)CCN(C)C ZINC000567910667 326281894 /nfs/dbraw/zinc/28/18/94/326281894.db2.gz BMGYQIFRYDDRNT-UHFFFAOYSA-N 1 3 217.313 -0.758 20 0 BBADHO O=C(COC1CNC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000567913247 326282432 /nfs/dbraw/zinc/28/24/32/326282432.db2.gz AQOFDNRLZVCEJR-GXSJLCMTSA-N 1 3 239.319 -0.815 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000567925350 326280386 /nfs/dbraw/zinc/28/03/86/326280386.db2.gz JTNKJTLTQONSMH-SECBINFHSA-N 1 3 229.324 -0.392 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000567925351 326280621 /nfs/dbraw/zinc/28/06/21/326280621.db2.gz JTNKJTLTQONSMH-VIFPVBQESA-N 1 3 229.324 -0.392 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567925432 326284165 /nfs/dbraw/zinc/28/41/65/326284165.db2.gz LSEYHRJMLUCTLX-BIIVOSGPSA-N 1 3 203.286 -0.798 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567925433 326284188 /nfs/dbraw/zinc/28/41/88/326284188.db2.gz LSEYHRJMLUCTLX-BWZBUEFSSA-N 1 3 203.286 -0.798 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567925434 326284068 /nfs/dbraw/zinc/28/40/68/326284068.db2.gz LSEYHRJMLUCTLX-GJMOJQLCSA-N 1 3 203.286 -0.798 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567925435 326284235 /nfs/dbraw/zinc/28/42/35/326284235.db2.gz LSEYHRJMLUCTLX-XLPZGREQSA-N 1 3 203.286 -0.798 20 0 BBADHO CCN1CCN(CCC(=O)N(C)CC[NH3+])CC1 ZINC000567982131 326290869 /nfs/dbraw/zinc/29/08/69/326290869.db2.gz NWVBHWFJMYVYFL-UHFFFAOYSA-N 1 3 242.367 -0.569 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCOC1CNC1 ZINC000568162235 326316647 /nfs/dbraw/zinc/31/66/47/326316647.db2.gz RTHKHPLIBDVTNP-NXEZZACHSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCOC1CNC1 ZINC000568162236 326316675 /nfs/dbraw/zinc/31/66/75/326316675.db2.gz RTHKHPLIBDVTNP-UWVGGRQHSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCOC1CNC1 ZINC000568162237 326316464 /nfs/dbraw/zinc/31/64/64/326316464.db2.gz RTHKHPLIBDVTNP-VHSXEESVSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCOC1CNC1 ZINC000568162238 326316565 /nfs/dbraw/zinc/31/65/65/326316565.db2.gz RTHKHPLIBDVTNP-ZJUUUORDSA-N 1 3 241.335 -0.297 20 0 BBADHO CC(C)(N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000568266733 326337615 /nfs/dbraw/zinc/33/76/15/326337615.db2.gz JEEFPAZKHHLZHN-RXMQYKEDSA-N 1 3 209.240 -0.178 20 0 BBADHO CC(C)(N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000568266734 326337587 /nfs/dbraw/zinc/33/75/87/326337587.db2.gz JEEFPAZKHHLZHN-YFKPBYRVSA-N 1 3 209.240 -0.178 20 0 BBADHO C[C@@]1(CNC[C@H]2CNCCO2)CC[NH2+]C1 ZINC000568268755 326337663 /nfs/dbraw/zinc/33/76/63/326337663.db2.gz IKZYQTGXUROHAW-GHMZBOCLSA-N 1 3 213.325 -0.436 20 0 BBADHO C[C@]1(CNC[C@H]2CNCCO2)CC[NH2+]C1 ZINC000568268756 326337567 /nfs/dbraw/zinc/33/75/67/326337567.db2.gz IKZYQTGXUROHAW-MNOVXSKESA-N 1 3 213.325 -0.436 20 0 BBADHO C[C@]1(CNC[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000568268757 326337672 /nfs/dbraw/zinc/33/76/72/326337672.db2.gz IKZYQTGXUROHAW-QWRGUYRKSA-N 1 3 213.325 -0.436 20 0 BBADHO C[C@@]1(CNC[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000568268758 326337658 /nfs/dbraw/zinc/33/76/58/326337658.db2.gz IKZYQTGXUROHAW-WDEREUQCSA-N 1 3 213.325 -0.436 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+](C)CCCC(=O)NC ZINC000568280308 326340390 /nfs/dbraw/zinc/34/03/90/326340390.db2.gz VHQYMTVQQFJHTR-LLVKDONJSA-N 1 3 231.340 -0.585 20 0 BBADHO CNC[C@@](C)(O)C[N@H+](C)CCCC(=O)NC ZINC000568280308 326340389 /nfs/dbraw/zinc/34/03/89/326340389.db2.gz VHQYMTVQQFJHTR-LLVKDONJSA-N 1 3 231.340 -0.585 20 0 BBADHO CNC[C@](C)(O)C[N@@H+](C)CCCC(=O)NC ZINC000568280309 326340370 /nfs/dbraw/zinc/34/03/70/326340370.db2.gz VHQYMTVQQFJHTR-NSHDSACASA-N 1 3 231.340 -0.585 20 0 BBADHO CNC[C@](C)(O)C[N@H+](C)CCCC(=O)NC ZINC000568280309 326340369 /nfs/dbraw/zinc/34/03/69/326340369.db2.gz VHQYMTVQQFJHTR-NSHDSACASA-N 1 3 231.340 -0.585 20 0 BBADHO CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000568395868 326354108 /nfs/dbraw/zinc/35/41/08/326354108.db2.gz CHFNSHXDWOOMTJ-LPEHRKFASA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+][C@@H](C)C(=O)N(CCOC)CCN(C)C ZINC000568413856 326355912 /nfs/dbraw/zinc/35/59/12/326355912.db2.gz SUHGBSFZSUPHCT-JTQLQIEISA-N 1 3 231.340 -0.369 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000568626454 326368530 /nfs/dbraw/zinc/36/85/30/326368530.db2.gz GULAKFZZCHOOCA-KKZNHRDASA-N 1 3 223.320 -0.053 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000568626458 326368477 /nfs/dbraw/zinc/36/84/77/326368477.db2.gz GULAKFZZCHOOCA-NGZCFLSTSA-N 1 3 223.320 -0.053 20 0 BBADHO CSCC[C@H](N)C(=O)N(C)CC[NH3+] ZINC000568626778 326368514 /nfs/dbraw/zinc/36/85/14/326368514.db2.gz LOBPKGFATATEKN-ZETCQYMHSA-N 1 3 205.327 -0.516 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COC1CNC1 ZINC000568626981 326368631 /nfs/dbraw/zinc/36/86/31/326368631.db2.gz SBBIVYYSHJZTCK-PSASIEDQSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COC1CNC1 ZINC000568626987 326368635 /nfs/dbraw/zinc/36/86/35/326368635.db2.gz SBBIVYYSHJZTCK-SCZZXKLOSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)COC1CNC1 ZINC000568626988 326368447 /nfs/dbraw/zinc/36/84/47/326368447.db2.gz SBBIVYYSHJZTCK-WCBMZHEXSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COC1CNC1 ZINC000568626989 326368381 /nfs/dbraw/zinc/36/83/81/326368381.db2.gz SBBIVYYSHJZTCK-WPRPVWTQSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000568628997 326368906 /nfs/dbraw/zinc/36/89/06/326368906.db2.gz SIMGNVQICQGQFH-GMTAPVOTSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000568628998 326368903 /nfs/dbraw/zinc/36/89/03/326368903.db2.gz SIMGNVQICQGQFH-MXWKQRLJSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000568628999 326368890 /nfs/dbraw/zinc/36/88/90/326368890.db2.gz SIMGNVQICQGQFH-OUAUKWLOSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000568629000 326368946 /nfs/dbraw/zinc/36/89/46/326368946.db2.gz SIMGNVQICQGQFH-VWYCJHECSA-N 1 3 241.335 -0.521 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000568765574 326376426 /nfs/dbraw/zinc/37/64/26/326376426.db2.gz NFICAMDWBIJSDW-DBIOUOCHSA-N 1 3 223.320 -0.066 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000568765575 326376545 /nfs/dbraw/zinc/37/65/45/326376545.db2.gz NFICAMDWBIJSDW-GWOFURMSSA-N 1 3 223.320 -0.066 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 ZINC000568765576 326376558 /nfs/dbraw/zinc/37/65/58/326376558.db2.gz NFICAMDWBIJSDW-LMLFDSFASA-N 1 3 223.320 -0.066 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 ZINC000568765577 326376362 /nfs/dbraw/zinc/37/63/62/326376362.db2.gz NFICAMDWBIJSDW-YTWAJWBKSA-N 1 3 223.320 -0.066 20 0 BBADHO COCCNCC(=O)N1CCC(CC[NH3+])CC1 ZINC000568776473 326377012 /nfs/dbraw/zinc/37/70/12/326377012.db2.gz KAAJRCRSSDVIMH-UHFFFAOYSA-N 1 3 243.351 -0.190 20 0 BBADHO O=C(CC1CC[NH2+]CC1)NC[C@H]1CNCCO1 ZINC000568864957 326379958 /nfs/dbraw/zinc/37/99/58/326379958.db2.gz ZPLMWNGQWCFTCD-LLVKDONJSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(CC1CC[NH2+]CC1)NC[C@@H]1CNCCO1 ZINC000568864958 326379932 /nfs/dbraw/zinc/37/99/32/326379932.db2.gz ZPLMWNGQWCFTCD-NSHDSACASA-N 1 3 241.335 -0.519 20 0 BBADHO [NH3+][C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000568880177 326380860 /nfs/dbraw/zinc/38/08/60/326380860.db2.gz WCVAUGCWRPMQBL-NXEZZACHSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+][C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000568880178 326380975 /nfs/dbraw/zinc/38/09/75/326380975.db2.gz WCVAUGCWRPMQBL-ZJUUUORDSA-N 1 3 227.308 -0.685 20 0 BBADHO NCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568886676 326381393 /nfs/dbraw/zinc/38/13/93/326381393.db2.gz SBFOHRRIUXQYFR-NXEZZACHSA-N 1 3 211.309 -0.207 20 0 BBADHO NCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568886681 326381582 /nfs/dbraw/zinc/38/15/82/326381582.db2.gz SBFOHRRIUXQYFR-UWVGGRQHSA-N 1 3 211.309 -0.207 20 0 BBADHO NCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568886683 326381546 /nfs/dbraw/zinc/38/15/46/326381546.db2.gz SBFOHRRIUXQYFR-VHSXEESVSA-N 1 3 211.309 -0.207 20 0 BBADHO NCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568886684 326381381 /nfs/dbraw/zinc/38/13/81/326381381.db2.gz SBFOHRRIUXQYFR-ZJUUUORDSA-N 1 3 211.309 -0.207 20 0 BBADHO CC[NH2+]CCCNC(=O)C[C@H]1CNCCO1 ZINC000568982481 326384563 /nfs/dbraw/zinc/38/45/63/326384563.db2.gz BHWAVEHCFYBYTC-JTQLQIEISA-N 1 3 229.324 -0.519 20 0 BBADHO CC[NH2+]CCCNC(=O)C[C@@H]1CNCCO1 ZINC000568982482 326384459 /nfs/dbraw/zinc/38/44/59/326384459.db2.gz BHWAVEHCFYBYTC-SNVBAGLBSA-N 1 3 229.324 -0.519 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000568984259 326384792 /nfs/dbraw/zinc/38/47/92/326384792.db2.gz JEJULVHHWNWAIA-GHMZBOCLSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000568984265 326384743 /nfs/dbraw/zinc/38/47/43/326384743.db2.gz JEJULVHHWNWAIA-MNOVXSKESA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000568984266 326384769 /nfs/dbraw/zinc/38/47/69/326384769.db2.gz JEJULVHHWNWAIA-QWRGUYRKSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000568984268 326384799 /nfs/dbraw/zinc/38/47/99/326384799.db2.gz JEJULVHHWNWAIA-WDEREUQCSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CNC[C@H]1CCCO1 ZINC000569095456 326389645 /nfs/dbraw/zinc/38/96/45/326389645.db2.gz ZIBNUSYVMUVBJW-AXFHLTTASA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CNC[C@@H]1CCCO1 ZINC000569095457 326389559 /nfs/dbraw/zinc/38/95/59/326389559.db2.gz ZIBNUSYVMUVBJW-DCAQKATOSA-N 1 3 241.335 -0.297 20 0 BBADHO [NH3+]CCCC(=O)NCCNc1ccncc1 ZINC000569114122 326390886 /nfs/dbraw/zinc/39/08/86/326390886.db2.gz AVUIGYAJMUNVJT-UHFFFAOYSA-N 1 3 222.292 -0.230 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)CCOC1CNC1 ZINC000569117213 326391161 /nfs/dbraw/zinc/39/11/61/326391161.db2.gz IIJLLAKREBYELG-JTQLQIEISA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)CCOC1CNC1 ZINC000569117219 326391558 /nfs/dbraw/zinc/39/15/58/326391558.db2.gz IIJLLAKREBYELG-SNVBAGLBSA-N 1 3 229.324 -0.536 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)CNC[C@@H]1CCCO1 ZINC000569124960 326391994 /nfs/dbraw/zinc/39/19/94/326391994.db2.gz WXFXSCLLDBHNAH-AXFHLTTASA-N 1 3 243.351 -0.003 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000569124962 326392112 /nfs/dbraw/zinc/39/21/12/326392112.db2.gz WXFXSCLLDBHNAH-DCAQKATOSA-N 1 3 243.351 -0.003 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000569124963 326392122 /nfs/dbraw/zinc/39/21/22/326392122.db2.gz WXFXSCLLDBHNAH-GARJFASQSA-N 1 3 243.351 -0.003 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)CNC[C@H]1CCCO1 ZINC000569124964 326392119 /nfs/dbraw/zinc/39/21/19/326392119.db2.gz WXFXSCLLDBHNAH-HBNTYKKESA-N 1 3 243.351 -0.003 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000569245821 326397565 /nfs/dbraw/zinc/39/75/65/326397565.db2.gz WZRNZTQDFXOXJL-NXEZZACHSA-N 1 3 241.335 -0.378 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000569245823 326397665 /nfs/dbraw/zinc/39/76/65/326397665.db2.gz WZRNZTQDFXOXJL-UWVGGRQHSA-N 1 3 241.335 -0.378 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000569245824 326397594 /nfs/dbraw/zinc/39/75/94/326397594.db2.gz WZRNZTQDFXOXJL-VHSXEESVSA-N 1 3 241.335 -0.378 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000569245826 326397505 /nfs/dbraw/zinc/39/75/05/326397505.db2.gz WZRNZTQDFXOXJL-ZJUUUORDSA-N 1 3 241.335 -0.378 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NCC[C@H]1CC[NH2+]C1 ZINC000569338222 322946397 /nfs/dbraw/zinc/94/63/97/322946397.db2.gz JCVJPJHDCDRHMZ-GHMZBOCLSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(C[C@H]1CNCCO1)NCC[C@H]1CC[NH2+]C1 ZINC000569338223 322946400 /nfs/dbraw/zinc/94/64/00/322946400.db2.gz JCVJPJHDCDRHMZ-MNOVXSKESA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(C[C@H]1CNCCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000569338224 385324500 /nfs/dbraw/zinc/32/45/00/385324500.db2.gz JCVJPJHDCDRHMZ-QWRGUYRKSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000569338225 322946337 /nfs/dbraw/zinc/94/63/37/322946337.db2.gz JCVJPJHDCDRHMZ-WDEREUQCSA-N 1 3 241.335 -0.519 20 0 BBADHO [NH3+]CC[C@@H](NC(=O)COC1CNC1)C(F)F ZINC000569339073 383996886 /nfs/dbraw/zinc/99/68/86/383996886.db2.gz NCPYLLZMWFPWJN-SSDOTTSWSA-N 1 3 237.250 -0.927 20 0 BBADHO [NH3+]CC[C@H](NC(=O)COC1CNC1)C(F)F ZINC000569339074 383997913 /nfs/dbraw/zinc/99/79/13/383997913.db2.gz NCPYLLZMWFPWJN-ZETCQYMHSA-N 1 3 237.250 -0.927 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)CCOC2CNC2)CC[NH2+]1 ZINC000569360854 383896331 /nfs/dbraw/zinc/89/63/31/383896331.db2.gz WQDPRXZJFXOGPQ-NXEZZACHSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[NH2+]1 ZINC000569360855 383895712 /nfs/dbraw/zinc/89/57/12/383895712.db2.gz WQDPRXZJFXOGPQ-UWVGGRQHSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1C[C@H](NC(=O)CCOC2CNC2)CC[NH2+]1 ZINC000569360856 322964198 /nfs/dbraw/zinc/96/41/98/322964198.db2.gz WQDPRXZJFXOGPQ-VHSXEESVSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[NH2+]1 ZINC000569360857 383895018 /nfs/dbraw/zinc/89/50/18/383895018.db2.gz WQDPRXZJFXOGPQ-ZJUUUORDSA-N 1 3 241.335 -0.378 20 0 BBADHO COC(=O)CC[C@@H](N)C(=O)N(C)C1CC([NH3+])C1 ZINC000569364810 322964689 /nfs/dbraw/zinc/96/46/89/322964689.db2.gz ACEGFIJBVJTUJT-AMDVSUOASA-N 1 3 243.307 -0.785 20 0 BBADHO COC(=O)CC[C@H](N)C(=O)N(C)C1CC([NH3+])C1 ZINC000569364811 322964773 /nfs/dbraw/zinc/96/47/73/322964773.db2.gz ACEGFIJBVJTUJT-HACHORDNSA-N 1 3 243.307 -0.785 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000569482477 384106713 /nfs/dbraw/zinc/10/67/13/384106713.db2.gz JJCGFYKZBSCRED-PSASIEDQSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000569482478 384107349 /nfs/dbraw/zinc/10/73/49/384107349.db2.gz JJCGFYKZBSCRED-SCZZXKLOSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000569482479 322967593 /nfs/dbraw/zinc/96/75/93/322967593.db2.gz JJCGFYKZBSCRED-WCBMZHEXSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000569482480 384105433 /nfs/dbraw/zinc/10/54/33/384105433.db2.gz JJCGFYKZBSCRED-WPRPVWTQSA-N 1 3 211.309 -0.005 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000569484052 322967810 /nfs/dbraw/zinc/96/78/10/322967810.db2.gz ZYPBNJPLOGZTQP-NXEZZACHSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@H]1CCC[C@H](CNC(=O)COC2CNC2)C1 ZINC000569484053 384109944 /nfs/dbraw/zinc/10/99/44/384109944.db2.gz ZYPBNJPLOGZTQP-UWVGGRQHSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)COC2CNC2)C1 ZINC000569484054 384108731 /nfs/dbraw/zinc/10/87/31/384108731.db2.gz ZYPBNJPLOGZTQP-VHSXEESVSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000569484055 322967802 /nfs/dbraw/zinc/96/78/02/322967802.db2.gz ZYPBNJPLOGZTQP-ZJUUUORDSA-N 1 3 241.335 -0.392 20 0 BBADHO CN1CCNC[C@@H]1CNCC(C)(C)[NH3+] ZINC000569577598 384275208 /nfs/dbraw/zinc/27/52/08/384275208.db2.gz STQBELCEMVGUHS-SECBINFHSA-N 1 3 200.330 -0.783 20 0 BBADHO CN1CCNC[C@H]1CNCC(C)(C)[NH3+] ZINC000569577599 384276523 /nfs/dbraw/zinc/27/65/23/384276523.db2.gz STQBELCEMVGUHS-VIFPVBQESA-N 1 3 200.330 -0.783 20 0 BBADHO [NH3+]CCCCNC(=O)CNC[C@@H]1CCCO1 ZINC000569603742 322972490 /nfs/dbraw/zinc/97/24/90/322972490.db2.gz XAPJNXGTVOVATH-JTQLQIEISA-N 1 3 229.324 -0.390 20 0 BBADHO [NH3+]CCCCNC(=O)CNC[C@H]1CCCO1 ZINC000569603746 322972495 /nfs/dbraw/zinc/97/24/95/322972495.db2.gz XAPJNXGTVOVATH-SNVBAGLBSA-N 1 3 229.324 -0.390 20 0 BBADHO NC[C@H]1CCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000569607244 384531597 /nfs/dbraw/zinc/53/15/97/384531597.db2.gz YHRVIWWGAZXWMO-LLVKDONJSA-N 1 3 240.351 -0.769 20 0 BBADHO NC[C@H]1CCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000569607244 384531590 /nfs/dbraw/zinc/53/15/90/384531590.db2.gz YHRVIWWGAZXWMO-LLVKDONJSA-N 1 3 240.351 -0.769 20 0 BBADHO [NH3+]C[C@H]1CCCN1CCC(=O)N1CCNCC1 ZINC000569607244 384531583 /nfs/dbraw/zinc/53/15/83/384531583.db2.gz YHRVIWWGAZXWMO-LLVKDONJSA-N 1 3 240.351 -0.769 20 0 BBADHO C[C@H](NC1CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000569692768 323037155 /nfs/dbraw/zinc/03/71/55/323037155.db2.gz OOSDUWUCZHLMTQ-JTQLQIEISA-N 1 3 240.351 -0.852 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000569692769 323037101 /nfs/dbraw/zinc/03/71/01/323037101.db2.gz OOSDUWUCZHLMTQ-SNVBAGLBSA-N 1 3 240.351 -0.852 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N(C)CCN(C)C1CC1 ZINC000569721594 323038710 /nfs/dbraw/zinc/03/87/10/323038710.db2.gz ZJTKMZASSYCBQU-LLVKDONJSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N(C)CCN(C)C1CC1 ZINC000569721595 323038824 /nfs/dbraw/zinc/03/88/24/323038824.db2.gz ZJTKMZASSYCBQU-NSHDSACASA-N 1 3 243.351 -0.097 20 0 BBADHO N[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000569808957 323041497 /nfs/dbraw/zinc/04/14/97/323041497.db2.gz YSNIKZDZYBPONN-NXEZZACHSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000569808958 323041474 /nfs/dbraw/zinc/04/14/74/323041474.db2.gz YSNIKZDZYBPONN-UWVGGRQHSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000569808959 323041400 /nfs/dbraw/zinc/04/14/00/323041400.db2.gz YSNIKZDZYBPONN-VHSXEESVSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@H](C(=O)NC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000569808960 323041460 /nfs/dbraw/zinc/04/14/60/323041460.db2.gz YSNIKZDZYBPONN-ZJUUUORDSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@@H](CNC(=O)N(C)CCC[NH3+])N(C)C ZINC000569826537 323042085 /nfs/dbraw/zinc/04/20/85/323042085.db2.gz ZWBRMFRNVFYXTI-VIFPVBQESA-N 1 3 216.329 -0.073 20 0 BBADHO CCS(=O)(=O)NCCCNCC1([NH3+])CCC1 ZINC000569847410 323042410 /nfs/dbraw/zinc/04/24/10/323042410.db2.gz UBOMXDGSRVNMNU-UHFFFAOYSA-N 1 3 249.380 -0.213 20 0 BBADHO O=C(CCOC1CNC1)N[C@@H]1CCC[NH2+]C1 ZINC000570042410 323048269 /nfs/dbraw/zinc/04/82/69/323048269.db2.gz TXAJRIYJRMTKKX-SECBINFHSA-N 1 3 227.308 -0.767 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@H]2C1 ZINC000570043348 323048341 /nfs/dbraw/zinc/04/83/41/323048341.db2.gz VMMGUXQTEVHYEW-AXFHLTTASA-N 1 3 223.320 -0.099 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@@H]2C1 ZINC000570043349 323048244 /nfs/dbraw/zinc/04/82/44/323048244.db2.gz VMMGUXQTEVHYEW-GMTAPVOTSA-N 1 3 223.320 -0.099 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@@H]2C1 ZINC000570043350 323048282 /nfs/dbraw/zinc/04/82/82/323048282.db2.gz VMMGUXQTEVHYEW-HBNTYKKESA-N 1 3 223.320 -0.099 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@H]2C1 ZINC000570043351 323048330 /nfs/dbraw/zinc/04/83/30/323048330.db2.gz VMMGUXQTEVHYEW-MXWKQRLJSA-N 1 3 223.320 -0.099 20 0 BBADHO C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)N1 ZINC000570160478 323051321 /nfs/dbraw/zinc/05/13/21/323051321.db2.gz FWTXMYOZPLAWDF-AXFHLTTASA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@H](C)N1 ZINC000570160479 323051383 /nfs/dbraw/zinc/05/13/83/323051383.db2.gz FWTXMYOZPLAWDF-MXWKQRLJSA-N 1 3 241.335 -0.426 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)C[C@H]1CNCCO1 ZINC000570160747 323051331 /nfs/dbraw/zinc/05/13/31/323051331.db2.gz JRCIFBFBGKPQMZ-JTQLQIEISA-N 1 3 243.351 -0.001 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)C[C@@H]1CNCCO1 ZINC000570160749 323051317 /nfs/dbraw/zinc/05/13/17/323051317.db2.gz JRCIFBFBGKPQMZ-SNVBAGLBSA-N 1 3 243.351 -0.001 20 0 BBADHO COCCNCC(=O)N[C@H](C)CCC[NH3+] ZINC000570212726 323052612 /nfs/dbraw/zinc/05/26/12/323052612.db2.gz WDAIJPWACDHZHA-SECBINFHSA-N 1 3 217.313 -0.534 20 0 BBADHO COCCNCC(=O)N[C@@H](C)CCC[NH3+] ZINC000570212729 323052623 /nfs/dbraw/zinc/05/26/23/323052623.db2.gz WDAIJPWACDHZHA-VIFPVBQESA-N 1 3 217.313 -0.534 20 0 BBADHO OCC(CO)[NH2+]CCCN1CCCCC1 ZINC000570292629 323055548 /nfs/dbraw/zinc/05/55/48/323055548.db2.gz UCXNXZXUFOLBNX-UHFFFAOYSA-N 1 3 216.325 -0.195 20 0 BBADHO CN1CCN(C(=O)C[NH2+]CC2CC2)[C@H](CN)C1 ZINC000570306325 323055930 /nfs/dbraw/zinc/05/59/30/323055930.db2.gz NUSDSZUBTGOPJM-LLVKDONJSA-N 1 3 240.351 -0.913 20 0 BBADHO CN1CCN(C(=O)C[NH2+]CC2CC2)[C@@H](CN)C1 ZINC000570306326 323056001 /nfs/dbraw/zinc/05/60/01/323056001.db2.gz NUSDSZUBTGOPJM-NSHDSACASA-N 1 3 240.351 -0.913 20 0 BBADHO FC(F)[C@@H]1CNCCN1CCN1CC[NH2+]CC1 ZINC000570333110 323056203 /nfs/dbraw/zinc/05/62/03/323056203.db2.gz PLUWYYDNKKOAQG-JTQLQIEISA-N 1 3 248.321 -0.570 20 0 BBADHO FC(F)[C@H]1CNCCN1CCN1CC[NH2+]CC1 ZINC000570333111 323056198 /nfs/dbraw/zinc/05/61/98/323056198.db2.gz PLUWYYDNKKOAQG-SNVBAGLBSA-N 1 3 248.321 -0.570 20 0 BBADHO CC(C)[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000570395278 323057999 /nfs/dbraw/zinc/05/79/99/323057999.db2.gz IRSDUYQXHDOIPF-NXEZZACHSA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000570395282 323057974 /nfs/dbraw/zinc/05/79/74/323057974.db2.gz IRSDUYQXHDOIPF-VHSXEESVSA-N 1 3 229.324 -0.536 20 0 BBADHO NC1(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000570399016 323058471 /nfs/dbraw/zinc/05/84/71/323058471.db2.gz MXQQMVSINCVEQF-VHSXEESVSA-N 1 3 223.320 -0.018 20 0 BBADHO CO[C@H](CN)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000570443637 323059579 /nfs/dbraw/zinc/05/95/79/323059579.db2.gz JXMPJGDTSDKYCP-NXEZZACHSA-N 1 3 229.324 -0.534 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000570443638 323059654 /nfs/dbraw/zinc/05/96/54/323059654.db2.gz JXMPJGDTSDKYCP-UWVGGRQHSA-N 1 3 229.324 -0.534 20 0 BBADHO CO[C@H](CN)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000570443639 323059645 /nfs/dbraw/zinc/05/96/45/323059645.db2.gz JXMPJGDTSDKYCP-VHSXEESVSA-N 1 3 229.324 -0.534 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000570443640 323059625 /nfs/dbraw/zinc/05/96/25/323059625.db2.gz JXMPJGDTSDKYCP-ZJUUUORDSA-N 1 3 229.324 -0.534 20 0 BBADHO O=C(CNC1CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000570443680 323059612 /nfs/dbraw/zinc/05/96/12/323059612.db2.gz NZLOHDZABWAHHV-GXSJLCMTSA-N 1 3 223.320 -0.051 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000570568680 323063384 /nfs/dbraw/zinc/06/33/84/323063384.db2.gz BVJLTIBAGUDGAO-NXEZZACHSA-N 1 3 229.324 -0.521 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000570568681 323063379 /nfs/dbraw/zinc/06/33/79/323063379.db2.gz BVJLTIBAGUDGAO-ZJUUUORDSA-N 1 3 229.324 -0.521 20 0 BBADHO CSCC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570568886 323063457 /nfs/dbraw/zinc/06/34/57/323063457.db2.gz TUYVMSJTRCYBHF-AEJSXWLSSA-N 1 3 243.376 -0.255 20 0 BBADHO CC1(C)CN(C(=O)C[NH2+]C2CC2)CCN1 ZINC000570617908 323064561 /nfs/dbraw/zinc/06/45/61/323064561.db2.gz BCIPBXBHFCDCBR-UHFFFAOYSA-N 1 3 211.309 -0.051 20 0 BBADHO CN(C)CCOCCNC(=O)CC1(C[NH3+])CC1 ZINC000570630275 323065224 /nfs/dbraw/zinc/06/52/24/323065224.db2.gz UKRIKUORPXJAAV-UHFFFAOYSA-N 1 3 243.351 -0.190 20 0 BBADHO O=C(CCOC1C[NH2+]C1)N1CCCNCC1 ZINC000570630842 323065315 /nfs/dbraw/zinc/06/53/15/323065315.db2.gz XCZTVKFUGCIZSX-UHFFFAOYSA-N 1 3 227.308 -0.813 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000570675149 323066757 /nfs/dbraw/zinc/06/67/57/323066757.db2.gz RCCUHPCDUVIHAI-NXEZZACHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000570675150 323066803 /nfs/dbraw/zinc/06/68/03/323066803.db2.gz RCCUHPCDUVIHAI-UWVGGRQHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000570675151 323066780 /nfs/dbraw/zinc/06/67/80/323066780.db2.gz RCCUHPCDUVIHAI-VHSXEESVSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000570675152 323066732 /nfs/dbraw/zinc/06/67/32/323066732.db2.gz RCCUHPCDUVIHAI-ZJUUUORDSA-N 1 3 241.335 -0.439 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CNCCO1 ZINC000570681359 323066849 /nfs/dbraw/zinc/06/68/49/323066849.db2.gz QKQLELTXERNWEM-NXEZZACHSA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1CNCCO1 ZINC000570681360 323066742 /nfs/dbraw/zinc/06/67/42/323066742.db2.gz QKQLELTXERNWEM-UWVGGRQHSA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CNCCO1 ZINC000570681361 323066798 /nfs/dbraw/zinc/06/67/98/323066798.db2.gz QKQLELTXERNWEM-VHSXEESVSA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1CNCCO1 ZINC000570681362 323066851 /nfs/dbraw/zinc/06/68/51/323066851.db2.gz QKQLELTXERNWEM-ZJUUUORDSA-N 1 3 229.324 -0.536 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CCCC[NH2+]1 ZINC000570683802 323067124 /nfs/dbraw/zinc/06/71/24/323067124.db2.gz CUYGOXFRNHHLGT-UWVGGRQHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(NC[C@H]1CNCCO1)[C@@H]1CCCC[NH2+]1 ZINC000570683805 323067028 /nfs/dbraw/zinc/06/70/28/323067028.db2.gz CUYGOXFRNHHLGT-ZJUUUORDSA-N 1 3 227.308 -0.767 20 0 BBADHO CC(C)(N)C(=O)NCCNc1cc[nH+]cc1 ZINC000570840100 323072330 /nfs/dbraw/zinc/07/23/30/323072330.db2.gz VSLGULGHMVBRDX-UHFFFAOYSA-N 1 3 222.292 -0.231 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000570842505 323072177 /nfs/dbraw/zinc/07/21/77/323072177.db2.gz YEVAFWCSWHNXJB-FXPVBKGRSA-N 1 3 229.324 -0.597 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000570842510 323072216 /nfs/dbraw/zinc/07/22/16/323072216.db2.gz YEVAFWCSWHNXJB-WCABBAIRSA-N 1 3 229.324 -0.597 20 0 BBADHO N[C@H](C(=O)NC1CC[NH2+]CC1)C1CCC1 ZINC000570925142 323074588 /nfs/dbraw/zinc/07/45/88/323074588.db2.gz GTKALCHETOMPGJ-JTQLQIEISA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H](C(=O)NC1CC[NH2+]CC1)C1CCC1 ZINC000570925143 323074624 /nfs/dbraw/zinc/07/46/24/323074624.db2.gz GTKALCHETOMPGJ-SNVBAGLBSA-N 1 3 211.309 -0.018 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CNCCO1 ZINC000570925186 323074617 /nfs/dbraw/zinc/07/46/17/323074617.db2.gz JURVIZDSKGQIAT-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CNCCO1 ZINC000570925187 323074692 /nfs/dbraw/zinc/07/46/92/323074692.db2.gz JURVIZDSKGQIAT-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CNCCO1 ZINC000570925188 323074647 /nfs/dbraw/zinc/07/46/47/323074647.db2.gz JURVIZDSKGQIAT-QWRGUYRKSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CNCCO1 ZINC000570925189 323074635 /nfs/dbraw/zinc/07/46/35/323074635.db2.gz JURVIZDSKGQIAT-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000570962902 323101827 /nfs/dbraw/zinc/10/18/27/323101827.db2.gz MDKKTQJEFCANDM-SSDOTTSWSA-N 1 3 239.266 -0.679 20 0 BBADHO COCCNCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000570962909 323101825 /nfs/dbraw/zinc/10/18/25/323101825.db2.gz MDKKTQJEFCANDM-ZETCQYMHSA-N 1 3 239.266 -0.679 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)CNCCOC ZINC000570963428 350667951 /nfs/dbraw/zinc/66/79/51/350667951.db2.gz YRHDQJFVUBUMER-MRVPVSSYSA-N 1 3 203.286 -0.924 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)CNCCOC ZINC000570963429 350668034 /nfs/dbraw/zinc/66/80/34/350668034.db2.gz YRHDQJFVUBUMER-QMMMGPOBSA-N 1 3 203.286 -0.924 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000571044705 323105107 /nfs/dbraw/zinc/10/51/07/323105107.db2.gz DTFTYHQTSPQBKR-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000571044706 323105118 /nfs/dbraw/zinc/10/51/18/323105118.db2.gz DTFTYHQTSPQBKR-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CNC[C@@H](O)C[NH2+]C[C@H](O)CCOC(C)C ZINC000571047378 323105316 /nfs/dbraw/zinc/10/53/16/323105316.db2.gz SNFAHBDUYYBDHS-GHMZBOCLSA-N 1 3 234.340 -0.668 20 0 BBADHO CNC[C@H](O)C[NH2+]C[C@H](O)CCOC(C)C ZINC000571047379 323105298 /nfs/dbraw/zinc/10/52/98/323105298.db2.gz SNFAHBDUYYBDHS-MNOVXSKESA-N 1 3 234.340 -0.668 20 0 BBADHO CNC[C@H](O)C[NH2+]C[C@@H](O)CCOC(C)C ZINC000571047380 323105383 /nfs/dbraw/zinc/10/53/83/323105383.db2.gz SNFAHBDUYYBDHS-QWRGUYRKSA-N 1 3 234.340 -0.668 20 0 BBADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)CCOC(C)C ZINC000571047382 323105329 /nfs/dbraw/zinc/10/53/29/323105329.db2.gz SNFAHBDUYYBDHS-WDEREUQCSA-N 1 3 234.340 -0.668 20 0 BBADHO O=C(CNC1CC1)NCCNc1cc[nH+]cc1 ZINC000571078242 323134844 /nfs/dbraw/zinc/13/48/44/323134844.db2.gz JTIXDBVHAYSKBF-UHFFFAOYSA-N 1 3 234.303 -0.216 20 0 BBADHO CC(C)(C)[NH2+]CCNC(=O)COC1CNC1 ZINC000571081481 323135072 /nfs/dbraw/zinc/13/50/72/323135072.db2.gz CKIHTCUIRMAXLU-UHFFFAOYSA-N 1 3 229.324 -0.521 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000571082190 323135030 /nfs/dbraw/zinc/13/50/30/323135030.db2.gz XQTHCNPHHCOZAY-SCZZXKLOSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H](NC1CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000571082192 323134972 /nfs/dbraw/zinc/13/49/72/323134972.db2.gz XQTHCNPHHCOZAY-WPRPVWTQSA-N 1 3 211.309 -0.005 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571083061 323135123 /nfs/dbraw/zinc/13/51/23/323135123.db2.gz ZVRFUSUNEXFCNS-CMPLNLGQSA-N 1 3 241.335 -0.438 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571083062 323135100 /nfs/dbraw/zinc/13/51/00/323135100.db2.gz ZVRFUSUNEXFCNS-JQWIXIFHSA-N 1 3 241.335 -0.438 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571083063 323135193 /nfs/dbraw/zinc/13/51/93/323135193.db2.gz ZVRFUSUNEXFCNS-PWSUYJOCSA-N 1 3 241.335 -0.438 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571083064 323135247 /nfs/dbraw/zinc/13/52/47/323135247.db2.gz ZVRFUSUNEXFCNS-ZYHUDNBSSA-N 1 3 241.335 -0.438 20 0 BBADHO O=C(COC1CNC1)NCC1=CC[NH2+]CC1 ZINC000571162888 323137065 /nfs/dbraw/zinc/13/70/65/323137065.db2.gz LRXDFBYLMQHYDF-UHFFFAOYSA-N 1 3 225.292 -0.989 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCNC(C)(C)C1 ZINC000571206629 323138214 /nfs/dbraw/zinc/13/82/14/323138214.db2.gz DHJGJFJKLIVHSC-SECBINFHSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCNC(C)(C)C1 ZINC000571206630 323138210 /nfs/dbraw/zinc/13/82/10/323138210.db2.gz DHJGJFJKLIVHSC-VIFPVBQESA-N 1 3 229.324 -0.439 20 0 BBADHO CN(C(=O)COC1CNC1)C1(C[NH3+])CCC1 ZINC000571210010 323138529 /nfs/dbraw/zinc/13/85/29/323138529.db2.gz DFFXZEZGNUUEJN-UHFFFAOYSA-N 1 3 227.308 -0.685 20 0 BBADHO CNCC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000571282408 323140072 /nfs/dbraw/zinc/14/00/72/323140072.db2.gz DVLKPMQZXXZWRL-UHFFFAOYSA-N 1 3 229.324 -0.662 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1CCC(=O)N1CCNCC1 ZINC000571325305 323141483 /nfs/dbraw/zinc/14/14/83/323141483.db2.gz DULNRZKJOJLALV-QWRGUYRKSA-N 1 3 240.351 -0.770 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000571325551 323141384 /nfs/dbraw/zinc/14/13/84/323141384.db2.gz TWTHTCQQCDDQRH-NXEZZACHSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCNCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000571325553 323141476 /nfs/dbraw/zinc/14/14/76/323141476.db2.gz TWTHTCQQCDDQRH-UWVGGRQHSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000571325555 323141406 /nfs/dbraw/zinc/14/14/06/323141406.db2.gz TWTHTCQQCDDQRH-VHSXEESVSA-N 1 3 229.324 -0.582 20 0 BBADHO COCCNCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000571325557 323141460 /nfs/dbraw/zinc/14/14/60/323141460.db2.gz TWTHTCQQCDDQRH-ZJUUUORDSA-N 1 3 229.324 -0.582 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000571402530 350974837 /nfs/dbraw/zinc/97/48/37/350974837.db2.gz XPOHCBSLHRPRSD-PSASIEDQSA-N 1 3 211.309 -0.053 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000571402534 350974813 /nfs/dbraw/zinc/97/48/13/350974813.db2.gz XPOHCBSLHRPRSD-SCZZXKLOSA-N 1 3 211.309 -0.053 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000571402535 350974855 /nfs/dbraw/zinc/97/48/55/350974855.db2.gz XPOHCBSLHRPRSD-WCBMZHEXSA-N 1 3 211.309 -0.053 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000571402536 350974893 /nfs/dbraw/zinc/97/48/93/350974893.db2.gz XPOHCBSLHRPRSD-WPRPVWTQSA-N 1 3 211.309 -0.053 20 0 BBADHO C[N@@H+](C[C@H](O)CNCCc1cn[nH]c1)C1CC1 ZINC000571433056 323144658 /nfs/dbraw/zinc/14/46/58/323144658.db2.gz PKHXVAKWSHKLDZ-GFCCVEGCSA-N 1 3 238.335 -0.003 20 0 BBADHO C[N@H+](C[C@H](O)CNCCc1cn[nH]c1)C1CC1 ZINC000571433056 323144657 /nfs/dbraw/zinc/14/46/57/323144657.db2.gz PKHXVAKWSHKLDZ-GFCCVEGCSA-N 1 3 238.335 -0.003 20 0 BBADHO C[N@@H+](C[C@@H](O)CNCCc1cn[nH]c1)C1CC1 ZINC000571433057 323144619 /nfs/dbraw/zinc/14/46/19/323144619.db2.gz PKHXVAKWSHKLDZ-LBPRGKRZSA-N 1 3 238.335 -0.003 20 0 BBADHO C[N@H+](C[C@@H](O)CNCCc1cn[nH]c1)C1CC1 ZINC000571433057 323144618 /nfs/dbraw/zinc/14/46/18/323144618.db2.gz PKHXVAKWSHKLDZ-LBPRGKRZSA-N 1 3 238.335 -0.003 20 0 BBADHO C[C@@H](NC(=O)CNC[C@@H]1CCCO1)[C@H](C)[NH3+] ZINC000571522389 323146715 /nfs/dbraw/zinc/14/67/15/323146715.db2.gz LHPRBJUNVLOWGM-AEJSXWLSSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000571522391 323146741 /nfs/dbraw/zinc/14/67/41/323146741.db2.gz LHPRBJUNVLOWGM-GUBZILKMSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@@H](NC(=O)CNC[C@H]1CCCO1)[C@H](C)[NH3+] ZINC000571522392 323146725 /nfs/dbraw/zinc/14/67/25/323146725.db2.gz LHPRBJUNVLOWGM-IVZWLZJFSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000571522394 323146699 /nfs/dbraw/zinc/14/66/99/323146699.db2.gz LHPRBJUNVLOWGM-LPEHRKFASA-N 1 3 229.324 -0.393 20 0 BBADHO O=C(COC1CNC1)NCCC[NH2+]C1CC1 ZINC000571523393 323147408 /nfs/dbraw/zinc/14/74/08/323147408.db2.gz LECWCAJFQGRDGH-UHFFFAOYSA-N 1 3 227.308 -0.767 20 0 BBADHO CC[C@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000571637992 323150336 /nfs/dbraw/zinc/15/03/36/323150336.db2.gz BKWBFIGHQRHKLT-JTQLQIEISA-N 1 3 222.292 -0.231 20 0 BBADHO COCCNCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000571683396 323346797 /nfs/dbraw/zinc/34/67/97/323346797.db2.gz NRVNULKDLJXGBO-WDEREUQCSA-N 1 3 241.335 -0.567 20 0 BBADHO O=C(CNC1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000571760357 387163728 /nfs/dbraw/zinc/16/37/28/387163728.db2.gz WVDJSWBUJNQWMO-GXSJLCMTSA-N 1 3 223.320 -0.051 20 0 BBADHO O=C(CNC1CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000571760358 323473419 /nfs/dbraw/zinc/47/34/19/323473419.db2.gz WVDJSWBUJNQWMO-KOLCDFICSA-N 1 3 223.320 -0.051 20 0 BBADHO O=C(CNC1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000571760359 387162757 /nfs/dbraw/zinc/16/27/57/387162757.db2.gz WVDJSWBUJNQWMO-MWLCHTKSSA-N 1 3 223.320 -0.051 20 0 BBADHO O=C(CNC1CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000571760360 323473438 /nfs/dbraw/zinc/47/34/38/323473438.db2.gz WVDJSWBUJNQWMO-ONGXEEELSA-N 1 3 223.320 -0.051 20 0 BBADHO [NH3+]C[C@H]1CN(C(=O)CNC2CC2)CCCO1 ZINC000571761368 387163467 /nfs/dbraw/zinc/16/34/67/387163467.db2.gz HXVWTTXYODYQHN-JTQLQIEISA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+]C[C@@H]1CN(C(=O)CNC2CC2)CCCO1 ZINC000571761369 387163037 /nfs/dbraw/zinc/16/30/37/387163037.db2.gz HXVWTTXYODYQHN-SNVBAGLBSA-N 1 3 227.308 -0.685 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)NCCNc1ccncc1 ZINC000571878237 387189625 /nfs/dbraw/zinc/18/96/25/387189625.db2.gz SHDBTNYRYZFFCG-JTQLQIEISA-N 1 3 236.319 -0.113 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)NCCNc1ccncc1 ZINC000571878240 387189831 /nfs/dbraw/zinc/18/98/31/387189831.db2.gz SHDBTNYRYZFFCG-SNVBAGLBSA-N 1 3 236.319 -0.113 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000571880183 323496730 /nfs/dbraw/zinc/49/67/30/323496730.db2.gz XQTHCNPHHCOZAY-PSASIEDQSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000571880184 323496824 /nfs/dbraw/zinc/49/68/24/323496824.db2.gz XQTHCNPHHCOZAY-WCBMZHEXSA-N 1 3 211.309 -0.005 20 0 BBADHO CO[C@H](CN)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000571909288 387189242 /nfs/dbraw/zinc/18/92/42/387189242.db2.gz UCFRVRTVVSULNB-SECBINFHSA-N 1 3 229.324 -0.534 20 0 BBADHO CO[C@@H](CN)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000571909289 323495865 /nfs/dbraw/zinc/49/58/65/323495865.db2.gz UCFRVRTVVSULNB-VIFPVBQESA-N 1 3 229.324 -0.534 20 0 BBADHO [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000571919385 398128076 /nfs/dbraw/zinc/12/80/76/398128076.db2.gz ZELGDFYLSOACCW-NXEZZACHSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+][C@@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000571919389 398127785 /nfs/dbraw/zinc/12/77/85/398127785.db2.gz ZELGDFYLSOACCW-ZJUUUORDSA-N 1 3 227.308 -0.685 20 0 BBADHO COCCN(C)CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000571926247 387199763 /nfs/dbraw/zinc/19/97/63/387199763.db2.gz MSVCGLSUHIALJP-PHIMTYICSA-N 1 3 243.351 -0.192 20 0 BBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCCN1 ZINC000572003473 387218907 /nfs/dbraw/zinc/21/89/07/387218907.db2.gz UMRSXRCYEINEPM-GHMZBOCLSA-N 1 3 240.351 -0.852 20 0 BBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCCN1 ZINC000572003474 323521918 /nfs/dbraw/zinc/52/19/18/323521918.db2.gz UMRSXRCYEINEPM-WDEREUQCSA-N 1 3 240.351 -0.852 20 0 BBADHO CCC[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572036608 323528335 /nfs/dbraw/zinc/52/83/35/323528335.db2.gz XKJPTBYFNKFXIB-NXEZZACHSA-N 1 3 228.340 -0.866 20 0 BBADHO CCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572036609 387223858 /nfs/dbraw/zinc/22/38/58/387223858.db2.gz XKJPTBYFNKFXIB-UWVGGRQHSA-N 1 3 228.340 -0.866 20 0 BBADHO CCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572036610 387224317 /nfs/dbraw/zinc/22/43/17/387224317.db2.gz XKJPTBYFNKFXIB-VHSXEESVSA-N 1 3 228.340 -0.866 20 0 BBADHO CCC[C@H](N)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572036611 387223261 /nfs/dbraw/zinc/22/32/61/387223261.db2.gz XKJPTBYFNKFXIB-ZJUUUORDSA-N 1 3 228.340 -0.866 20 0 BBADHO C[C@H]1CCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000572043798 387221202 /nfs/dbraw/zinc/22/12/02/387221202.db2.gz QZSAQJHLTSFZLO-AEJSXWLSSA-N 1 3 211.309 -0.208 20 0 BBADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000572043803 387219646 /nfs/dbraw/zinc/21/96/46/387219646.db2.gz QZSAQJHLTSFZLO-BBBLOLIVSA-N 1 3 211.309 -0.208 20 0 BBADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])C[C@H]2N)cn1 ZINC000572234963 387283050 /nfs/dbraw/zinc/28/30/50/387283050.db2.gz LUCXQPYQUILINF-VPOLOUISSA-N 1 3 249.318 -0.980 20 0 BBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000572235654 387283584 /nfs/dbraw/zinc/28/35/84/387283584.db2.gz DSABXJPLVJECAO-VHSXEESVSA-N 1 3 241.335 -0.426 20 0 BBADHO COCCNCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000572240978 387284945 /nfs/dbraw/zinc/28/49/45/387284945.db2.gz BVZIDJDCNXQFQU-JTQLQIEISA-N 1 3 229.324 -0.662 20 0 BBADHO COCCNCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000572240979 387285805 /nfs/dbraw/zinc/28/58/05/387285805.db2.gz BVZIDJDCNXQFQU-SNVBAGLBSA-N 1 3 229.324 -0.662 20 0 BBADHO CCN(CC)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000572241885 387286235 /nfs/dbraw/zinc/28/62/35/387286235.db2.gz MIJBNXGPKQCURZ-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO CCN(CC)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000572241886 387285622 /nfs/dbraw/zinc/28/56/22/387285622.db2.gz MIJBNXGPKQCURZ-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO C[C@@H](NC(=O)COC1CNC1)[C@@H]1CCC[NH2+]C1 ZINC000572283305 323587104 /nfs/dbraw/zinc/58/71/04/323587104.db2.gz HDNRZWYJADFLTP-NXEZZACHSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@H](NC(=O)COC1CNC1)[C@H]1CCC[NH2+]C1 ZINC000572283306 323586750 /nfs/dbraw/zinc/58/67/50/323586750.db2.gz HDNRZWYJADFLTP-UWVGGRQHSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@H](NC(=O)COC1CNC1)[C@@H]1CCC[NH2+]C1 ZINC000572283307 387306443 /nfs/dbraw/zinc/30/64/43/387306443.db2.gz HDNRZWYJADFLTP-VHSXEESVSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H](NC(=O)COC1CNC1)[C@H]1CCC[NH2+]C1 ZINC000572283308 323586850 /nfs/dbraw/zinc/58/68/50/323586850.db2.gz HDNRZWYJADFLTP-ZJUUUORDSA-N 1 3 241.335 -0.521 20 0 BBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCOC2CNC2)C1 ZINC000572283931 387305410 /nfs/dbraw/zinc/30/54/10/387305410.db2.gz INLWSJXMRRCWNY-NXEZZACHSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)CCOC2CNC2)C1 ZINC000572283932 387305645 /nfs/dbraw/zinc/30/56/45/387305645.db2.gz INLWSJXMRRCWNY-UWVGGRQHSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCOC2CNC2)C1 ZINC000572283933 387306576 /nfs/dbraw/zinc/30/65/76/387306576.db2.gz INLWSJXMRRCWNY-VHSXEESVSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCOC2CNC2)C1 ZINC000572283934 323586703 /nfs/dbraw/zinc/58/67/03/323586703.db2.gz INLWSJXMRRCWNY-ZJUUUORDSA-N 1 3 241.335 -0.392 20 0 BBADHO COCCNCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000572361889 323608132 /nfs/dbraw/zinc/60/81/32/323608132.db2.gz HPJVYWNUGVISHH-JTQLQIEISA-N 1 3 229.324 -0.662 20 0 BBADHO COCCNCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000572361890 387345753 /nfs/dbraw/zinc/34/57/53/387345753.db2.gz HPJVYWNUGVISHH-SNVBAGLBSA-N 1 3 229.324 -0.662 20 0 BBADHO COCCNCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000572362386 387347390 /nfs/dbraw/zinc/34/73/90/387347390.db2.gz IPPKJAJPPKWWBX-LLVKDONJSA-N 1 3 243.351 -0.129 20 0 BBADHO COCCNCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000572362387 323609859 /nfs/dbraw/zinc/60/98/59/323609859.db2.gz IPPKJAJPPKWWBX-NSHDSACASA-N 1 3 243.351 -0.129 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)COC1CNC1 ZINC000572362645 323609999 /nfs/dbraw/zinc/60/99/99/323609999.db2.gz WWBSCGNVMFDYSK-WPRPVWTQSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)COC1CNC1 ZINC000572401422 387388375 /nfs/dbraw/zinc/38/83/75/387388375.db2.gz MWENZHVQRJFQII-PSASIEDQSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COC1CNC1 ZINC000572401423 323621155 /nfs/dbraw/zinc/62/11/55/323621155.db2.gz MWENZHVQRJFQII-SCZZXKLOSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)COC1CNC1 ZINC000572401424 323621635 /nfs/dbraw/zinc/62/16/35/323621635.db2.gz MWENZHVQRJFQII-WCBMZHEXSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)COC1CNC1 ZINC000572401425 387388662 /nfs/dbraw/zinc/38/86/62/387388662.db2.gz MWENZHVQRJFQII-WPRPVWTQSA-N 1 3 227.308 -0.911 20 0 BBADHO NC(C(=O)N[C@H](CC[NH3+])C(F)F)C(F)(F)F ZINC000572521807 324189148 /nfs/dbraw/zinc/18/91/48/324189148.db2.gz TZONAKSSDXJHRA-DMTCNVIQSA-N 1 3 249.183 -0.025 20 0 BBADHO NC(C(=O)N[C@@H](CC[NH3+])C(F)F)C(F)(F)F ZINC000572521808 324189194 /nfs/dbraw/zinc/18/91/94/324189194.db2.gz TZONAKSSDXJHRA-IMJSIDKUSA-N 1 3 249.183 -0.025 20 0 BBADHO NC(C(=O)N[C@@H](CC[NH3+])C(F)F)C(F)(F)F ZINC000572521809 324189240 /nfs/dbraw/zinc/18/92/40/324189240.db2.gz TZONAKSSDXJHRA-IUYQGCFVSA-N 1 3 249.183 -0.025 20 0 BBADHO NC(C(=O)N[C@H](CC[NH3+])C(F)F)C(F)(F)F ZINC000572521810 324189286 /nfs/dbraw/zinc/18/92/86/324189286.db2.gz TZONAKSSDXJHRA-QWWZWVQMSA-N 1 3 249.183 -0.025 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)COC1CNC1 ZINC000572523368 324189897 /nfs/dbraw/zinc/18/98/97/324189897.db2.gz AMQLQZFUWZKLNQ-UHFFFAOYSA-N 1 3 229.324 -0.582 20 0 BBADHO CC(C)[C@H](C(=O)NC[C@H]1CNCCO1)[C@H](C)[NH3+] ZINC000572631289 323040222 /nfs/dbraw/zinc/04/02/22/323040222.db2.gz GIHQXFSSQWXHHC-AXFHLTTASA-N 1 3 243.351 -0.290 20 0 BBADHO CC(C)[C@H](C(=O)NC[C@@H]1CNCCO1)[C@H](C)[NH3+] ZINC000572631290 323040247 /nfs/dbraw/zinc/04/02/47/323040247.db2.gz GIHQXFSSQWXHHC-DCAQKATOSA-N 1 3 243.351 -0.290 20 0 BBADHO CC(C)[C@H](C(=O)NC[C@H]1CNCCO1)[C@@H](C)[NH3+] ZINC000572631291 323040202 /nfs/dbraw/zinc/04/02/02/323040202.db2.gz GIHQXFSSQWXHHC-MXWKQRLJSA-N 1 3 243.351 -0.290 20 0 BBADHO CC(C)[C@H](C(=O)NC[C@@H]1CNCCO1)[C@@H](C)[NH3+] ZINC000572631292 323040216 /nfs/dbraw/zinc/04/02/16/323040216.db2.gz GIHQXFSSQWXHHC-VWYCJHECSA-N 1 3 243.351 -0.290 20 0 BBADHO COCCNCC(=O)NC1(C)CC[NH2+]CC1 ZINC000572644671 323057901 /nfs/dbraw/zinc/05/79/01/323057901.db2.gz JMXUBWHUNNECJZ-UHFFFAOYSA-N 1 3 229.324 -0.519 20 0 BBADHO CN1CCNC[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000572713234 388368372 /nfs/dbraw/zinc/36/83/72/388368372.db2.gz WRXFRLREROEEJG-JHJVBQTASA-N 1 3 240.395 -0.003 20 0 BBADHO CN1CCNC[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000572713235 388368528 /nfs/dbraw/zinc/36/85/28/388368528.db2.gz WRXFRLREROEEJG-UPJWGTAASA-N 1 3 240.395 -0.003 20 0 BBADHO CN1CCNC[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000572713236 388370000 /nfs/dbraw/zinc/37/00/00/388370000.db2.gz WRXFRLREROEEJG-XQQFMLRXSA-N 1 3 240.395 -0.003 20 0 BBADHO CN1CCNC[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000572713237 388370301 /nfs/dbraw/zinc/37/03/01/388370301.db2.gz WRXFRLREROEEJG-YNEHKIRRSA-N 1 3 240.395 -0.003 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572719811 388369738 /nfs/dbraw/zinc/36/97/38/388369738.db2.gz RWSUSZNHFVZIEH-GXSJLCMTSA-N 1 3 240.351 -0.772 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572719814 388370020 /nfs/dbraw/zinc/37/00/20/388370020.db2.gz RWSUSZNHFVZIEH-KOLCDFICSA-N 1 3 240.351 -0.772 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572719815 388370055 /nfs/dbraw/zinc/37/00/55/388370055.db2.gz RWSUSZNHFVZIEH-MWLCHTKSSA-N 1 3 240.351 -0.772 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572719817 388370040 /nfs/dbraw/zinc/37/00/40/388370040.db2.gz RWSUSZNHFVZIEH-ONGXEEELSA-N 1 3 240.351 -0.772 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCOC1CNC1 ZINC000572750479 326408856 /nfs/dbraw/zinc/40/88/56/326408856.db2.gz YWGMVVFUMVQTTO-JTQLQIEISA-N 1 3 241.335 -0.378 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC(=O)CCOC1CNC1 ZINC000572750480 326408729 /nfs/dbraw/zinc/40/87/29/326408729.db2.gz YWGMVVFUMVQTTO-SNVBAGLBSA-N 1 3 241.335 -0.378 20 0 BBADHO COCC1(CNC(=O)[C@@H](C)N)CC[NH2+]CC1 ZINC000572760587 388374021 /nfs/dbraw/zinc/37/40/21/388374021.db2.gz XIDRTJLQCQAQBU-SECBINFHSA-N 1 3 229.324 -0.534 20 0 BBADHO CNC[C@@H](O)C[NH2+]CC1(O)CCCC1 ZINC000572842263 388380690 /nfs/dbraw/zinc/38/06/90/388380690.db2.gz ZGCYHPZJHFNHGN-SECBINFHSA-N 1 3 202.298 -0.539 20 0 BBADHO CNC[C@H](O)C[NH2+]CC1(O)CCCC1 ZINC000572842264 388379582 /nfs/dbraw/zinc/37/95/82/388379582.db2.gz ZGCYHPZJHFNHGN-VIFPVBQESA-N 1 3 202.298 -0.539 20 0 BBADHO C[C@@H]1CC[N@@H+](CCNC(=O)C2(N)CC2)C1 ZINC000572964563 388400404 /nfs/dbraw/zinc/40/04/04/388400404.db2.gz PQSVFWZHFCZSNF-SECBINFHSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@H]1CC[N@@H+](CCNC(=O)C2(N)CC2)C1 ZINC000572964564 388399859 /nfs/dbraw/zinc/39/98/59/388399859.db2.gz PQSVFWZHFCZSNF-VIFPVBQESA-N 1 3 211.309 -0.064 20 0 BBADHO CN(C(=O)C[C@@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000572999414 323048660 /nfs/dbraw/zinc/04/86/60/323048660.db2.gz WEMIPRPQMNFGJD-NXEZZACHSA-N 1 3 227.308 -0.815 20 0 BBADHO CN(C(=O)C[C@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000572999415 323048709 /nfs/dbraw/zinc/04/87/09/323048709.db2.gz WEMIPRPQMNFGJD-UWVGGRQHSA-N 1 3 227.308 -0.815 20 0 BBADHO CN(C(=O)C[C@@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000572999416 323048721 /nfs/dbraw/zinc/04/87/21/323048721.db2.gz WEMIPRPQMNFGJD-VHSXEESVSA-N 1 3 227.308 -0.815 20 0 BBADHO CN(C(=O)C[C@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000572999417 323048712 /nfs/dbraw/zinc/04/87/12/323048712.db2.gz WEMIPRPQMNFGJD-ZJUUUORDSA-N 1 3 227.308 -0.815 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573003332 388405475 /nfs/dbraw/zinc/40/54/75/388405475.db2.gz KQOSMZUYIJFODD-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573003333 388405344 /nfs/dbraw/zinc/40/53/44/388405344.db2.gz KQOSMZUYIJFODD-KXUCPTDWSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+]C[C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000573089830 398209484 /nfs/dbraw/zinc/20/94/84/398209484.db2.gz SIWXHCFPLDGYFE-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[NH2+]C[C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000573089831 398209534 /nfs/dbraw/zinc/20/95/34/398209534.db2.gz SIWXHCFPLDGYFE-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO O=C(COC1CNC1)NCC1CC[NH2+]CC1 ZINC000573116973 326430531 /nfs/dbraw/zinc/43/05/31/326430531.db2.gz BCECSNLIOLZIMG-UHFFFAOYSA-N 1 3 227.308 -0.909 20 0 BBADHO CC[C@@H](N)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000573131190 326431278 /nfs/dbraw/zinc/43/12/78/326431278.db2.gz SYSLCUAUQMSODV-LLVKDONJSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCNCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000573205388 326435073 /nfs/dbraw/zinc/43/50/73/326435073.db2.gz OEZUIFLCFBLSKW-LLVKDONJSA-N 1 3 243.351 -0.190 20 0 BBADHO COCCNCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000573205389 388431922 /nfs/dbraw/zinc/43/19/22/388431922.db2.gz OEZUIFLCFBLSKW-NSHDSACASA-N 1 3 243.351 -0.190 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CNCCO2)C1 ZINC000573235554 388434843 /nfs/dbraw/zinc/43/48/43/388434843.db2.gz CGRFASZSQUBZLW-GMTAPVOTSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CNCCO2)C1 ZINC000573235556 388435369 /nfs/dbraw/zinc/43/53/69/388435369.db2.gz CGRFASZSQUBZLW-MXWKQRLJSA-N 1 3 241.335 -0.392 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC(=O)CNC1CC1 ZINC000573235798 388435228 /nfs/dbraw/zinc/43/52/28/388435228.db2.gz QGPQCNUSFFKTQM-SECBINFHSA-N 1 3 211.309 -0.005 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)CNC1CC1 ZINC000573235799 326437150 /nfs/dbraw/zinc/43/71/50/326437150.db2.gz QGPQCNUSFFKTQM-VIFPVBQESA-N 1 3 211.309 -0.005 20 0 BBADHO CN[C@@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000573266149 364790130 /nfs/dbraw/zinc/79/01/30/364790130.db2.gz UVJDWLGUZJFXDU-WCBMZHEXSA-N 1 3 211.309 -0.053 20 0 BBADHO CN[C@@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000573266150 364789758 /nfs/dbraw/zinc/78/97/58/364789758.db2.gz UVJDWLGUZJFXDU-WPRPVWTQSA-N 1 3 211.309 -0.053 20 0 BBADHO [NH3+]C1(CNC(=O)C[C@@H]2CNCCO2)CCC1 ZINC000573485426 364844229 /nfs/dbraw/zinc/84/42/29/364844229.db2.gz LXPQFDBBYQHUOK-SECBINFHSA-N 1 3 227.308 -0.638 20 0 BBADHO [NH3+]C1(CNC(=O)C[C@H]2CNCCO2)CCC1 ZINC000573485427 364844252 /nfs/dbraw/zinc/84/42/52/364844252.db2.gz LXPQFDBBYQHUOK-VIFPVBQESA-N 1 3 227.308 -0.638 20 0 BBADHO C[C@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000573557744 364860179 /nfs/dbraw/zinc/86/01/79/364860179.db2.gz KOHCCNUWYDHWJS-NSHDSACASA-N 1 3 229.368 -0.017 20 0 BBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCOC1CNC1 ZINC000573562636 364861996 /nfs/dbraw/zinc/86/19/96/364861996.db2.gz WXQMKVKEDZCREV-GXSJLCMTSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCOC1CNC1 ZINC000573562637 364861819 /nfs/dbraw/zinc/86/18/19/364861819.db2.gz WXQMKVKEDZCREV-KOLCDFICSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCOC1CNC1 ZINC000573562638 364862055 /nfs/dbraw/zinc/86/20/55/364862055.db2.gz WXQMKVKEDZCREV-MWLCHTKSSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCOC1CNC1 ZINC000573562639 364862182 /nfs/dbraw/zinc/86/21/82/364862182.db2.gz WXQMKVKEDZCREV-ONGXEEELSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)COC1CNC1 ZINC000573562732 364862047 /nfs/dbraw/zinc/86/20/47/364862047.db2.gz GNYRALYSABJZBN-JTQLQIEISA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)COC1CNC1 ZINC000573562733 364862237 /nfs/dbraw/zinc/86/22/37/364862237.db2.gz GNYRALYSABJZBN-SNVBAGLBSA-N 1 3 241.335 -0.521 20 0 BBADHO O=C(CCOC1CNC1)N[C@H]1CCC[NH2+]C1 ZINC000573563302 344315117 /nfs/dbraw/zinc/31/51/17/344315117.db2.gz TXAJRIYJRMTKKX-VIFPVBQESA-N 1 3 227.308 -0.767 20 0 BBADHO N[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)C1CCC1 ZINC000573606006 344327948 /nfs/dbraw/zinc/32/79/48/344327948.db2.gz FYHKHRTZLPBCMH-GHMZBOCLSA-N 1 3 241.335 -0.310 20 0 BBADHO N[C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)C1CCC1 ZINC000573606007 344328200 /nfs/dbraw/zinc/32/82/00/344328200.db2.gz FYHKHRTZLPBCMH-MNOVXSKESA-N 1 3 241.335 -0.310 20 0 BBADHO N[C@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000573606009 344327963 /nfs/dbraw/zinc/32/79/63/344327963.db2.gz FYHKHRTZLPBCMH-QWRGUYRKSA-N 1 3 241.335 -0.310 20 0 BBADHO N[C@@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000573606010 344328211 /nfs/dbraw/zinc/32/82/11/344328211.db2.gz FYHKHRTZLPBCMH-WDEREUQCSA-N 1 3 241.335 -0.310 20 0 BBADHO CNC[C@@H](O)C[NH2+]C[C@H](O)CCC(C)C ZINC000573608989 364874198 /nfs/dbraw/zinc/87/41/98/364874198.db2.gz OLTQQRJNPVKZTR-GHMZBOCLSA-N 1 3 218.341 -0.047 20 0 BBADHO CNC[C@H](O)C[NH2+]C[C@H](O)CCC(C)C ZINC000573608990 364874035 /nfs/dbraw/zinc/87/40/35/364874035.db2.gz OLTQQRJNPVKZTR-MNOVXSKESA-N 1 3 218.341 -0.047 20 0 BBADHO CNC[C@H](O)C[NH2+]C[C@@H](O)CCC(C)C ZINC000573608991 364873919 /nfs/dbraw/zinc/87/39/19/364873919.db2.gz OLTQQRJNPVKZTR-QWRGUYRKSA-N 1 3 218.341 -0.047 20 0 BBADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)CCC(C)C ZINC000573608992 364873945 /nfs/dbraw/zinc/87/39/45/364873945.db2.gz OLTQQRJNPVKZTR-WDEREUQCSA-N 1 3 218.341 -0.047 20 0 BBADHO CCN(C(=O)[C@@H](CN)OC)[C@@H]1CCC[NH2+]CC1 ZINC000573624729 364877945 /nfs/dbraw/zinc/87/79/45/364877945.db2.gz UVDMMTLOSINWQL-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CCN(C(=O)[C@H](CN)OC)[C@@H]1CCC[NH2+]CC1 ZINC000573624731 364874121 /nfs/dbraw/zinc/87/41/21/364874121.db2.gz UVDMMTLOSINWQL-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CCN(C(=O)[C@H](CN)OC)[C@H]1CCC[NH2+]CC1 ZINC000573624732 364874022 /nfs/dbraw/zinc/87/40/22/364874022.db2.gz UVDMMTLOSINWQL-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CCN(C(=O)[C@@H](CN)OC)[C@H]1CCC[NH2+]CC1 ZINC000573624733 364873765 /nfs/dbraw/zinc/87/37/65/364873765.db2.gz UVDMMTLOSINWQL-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@@H]1CN(CCC(=O)N2CCNCC2)C[C@H]1[NH3+] ZINC000573803095 364918942 /nfs/dbraw/zinc/91/89/42/364918942.db2.gz INNRSBAXWFUURH-GHMZBOCLSA-N 1 3 240.351 -0.913 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573806159 364921463 /nfs/dbraw/zinc/92/14/63/364921463.db2.gz ZYKIOHOAFLXLFL-AOOOYVTPSA-N 1 3 229.324 -0.582 20 0 BBADHO C[NH2+][C@@H](C)C(=O)NCCNc1ccncc1 ZINC000573814118 364922822 /nfs/dbraw/zinc/92/28/22/364922822.db2.gz BHHARUFZKYBFKH-VIFPVBQESA-N 1 3 222.292 -0.361 20 0 BBADHO O=C(CNC1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573841205 364928840 /nfs/dbraw/zinc/92/88/40/364928840.db2.gz NPTBZCKJJMJKFI-NXEZZACHSA-N 1 3 223.320 -0.194 20 0 BBADHO O=C(CNC1CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573841209 364928745 /nfs/dbraw/zinc/92/87/45/364928745.db2.gz NPTBZCKJJMJKFI-UWVGGRQHSA-N 1 3 223.320 -0.194 20 0 BBADHO O=C(CNC1CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573841210 364928380 /nfs/dbraw/zinc/92/83/80/364928380.db2.gz NPTBZCKJJMJKFI-VHSXEESVSA-N 1 3 223.320 -0.194 20 0 BBADHO O=C(CNC1CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573841211 364928874 /nfs/dbraw/zinc/92/88/74/364928874.db2.gz NPTBZCKJJMJKFI-ZJUUUORDSA-N 1 3 223.320 -0.194 20 0 BBADHO C[C@]1(C[NH3+])CCN(C(=O)COC2CNC2)C1 ZINC000573844273 364927957 /nfs/dbraw/zinc/92/79/57/364927957.db2.gz UVONCECZWCTGPZ-LLVKDONJSA-N 1 3 227.308 -0.828 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C(=O)COC2CNC2)C1 ZINC000573844275 364928646 /nfs/dbraw/zinc/92/86/46/364928646.db2.gz UVONCECZWCTGPZ-NSHDSACASA-N 1 3 227.308 -0.828 20 0 BBADHO COCCNCCNC[C@]1(C)CC[NH2+]C1 ZINC000573920715 364946569 /nfs/dbraw/zinc/94/65/69/364946569.db2.gz WILYIIYVTGEJEF-LLVKDONJSA-N 1 3 215.341 -0.188 20 0 BBADHO COCCNCCNC[C@@]1(C)CC[NH2+]C1 ZINC000573920716 364946681 /nfs/dbraw/zinc/94/66/81/364946681.db2.gz WILYIIYVTGEJEF-NSHDSACASA-N 1 3 215.341 -0.188 20 0 BBADHO N[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000573921332 364946738 /nfs/dbraw/zinc/94/67/38/364946738.db2.gz SKVXFWGFZIIACJ-QJPTWQEYSA-N 1 3 249.314 -0.475 20 0 BBADHO N[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000573921333 364946539 /nfs/dbraw/zinc/94/65/39/364946539.db2.gz SKVXFWGFZIIACJ-SDDRHHMPSA-N 1 3 249.314 -0.475 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000573921771 364946579 /nfs/dbraw/zinc/94/65/79/364946579.db2.gz OBOSNGOFRYFORH-IVZWLZJFSA-N 1 3 229.324 -0.312 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000573921772 364946671 /nfs/dbraw/zinc/94/66/71/364946671.db2.gz OBOSNGOFRYFORH-KXUCPTDWSA-N 1 3 229.324 -0.312 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000573921773 364946590 /nfs/dbraw/zinc/94/65/90/364946590.db2.gz OBOSNGOFRYFORH-LPEHRKFASA-N 1 3 229.324 -0.312 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000573921774 364946660 /nfs/dbraw/zinc/94/66/60/364946660.db2.gz OBOSNGOFRYFORH-OPRDCNLKSA-N 1 3 229.324 -0.312 20 0 BBADHO COCCNCC(=O)NC(C)(C)CCC[NH3+] ZINC000573923730 364947400 /nfs/dbraw/zinc/94/74/00/364947400.db2.gz SKUOIFLCKFGEFP-UHFFFAOYSA-N 1 3 231.340 -0.144 20 0 BBADHO C[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000573957410 388442864 /nfs/dbraw/zinc/44/28/64/388442864.db2.gz UNHQQQCVJVMNCF-NSHDSACASA-N 1 3 229.368 -0.017 20 0 BBADHO CN(C)CCN(C(=O)[C@H]1CC[NH2+]1)C1CC1 ZINC000573962656 364954918 /nfs/dbraw/zinc/95/49/18/364954918.db2.gz GPYNUMZBQRYWAS-SNVBAGLBSA-N 1 3 211.309 -0.099 20 0 BBADHO C[C@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000573963350 364955017 /nfs/dbraw/zinc/95/50/17/364955017.db2.gz LZFKDBTWLVPEKM-VIFPVBQESA-N 1 3 249.318 -0.223 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000574071395 364981354 /nfs/dbraw/zinc/98/13/54/364981354.db2.gz OSZHGERINZSIKW-SECBINFHSA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000574071396 364980951 /nfs/dbraw/zinc/98/09/51/364980951.db2.gz OSZHGERINZSIKW-VIFPVBQESA-N 1 3 227.308 -0.815 20 0 BBADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COC3CNC3)C[C@H]12 ZINC000574079096 344650387 /nfs/dbraw/zinc/65/03/87/344650387.db2.gz ADIQBPWODCIGOC-DVVUODLYSA-N 1 3 239.319 -0.830 20 0 BBADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COC3CNC3)C[C@@H]12 ZINC000574079115 344650635 /nfs/dbraw/zinc/65/06/35/344650635.db2.gz ADIQBPWODCIGOC-FBIMIBRVSA-N 1 3 239.319 -0.830 20 0 BBADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COC3CNC3)C[C@H]12 ZINC000574079119 344650799 /nfs/dbraw/zinc/65/07/99/344650799.db2.gz ADIQBPWODCIGOC-INTQDDNPSA-N 1 3 239.319 -0.830 20 0 BBADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COC3CNC3)C[C@@H]12 ZINC000574079128 344650500 /nfs/dbraw/zinc/65/05/00/344650500.db2.gz ADIQBPWODCIGOC-JMJZKYOTSA-N 1 3 239.319 -0.830 20 0 BBADHO C[C@@H]1C[N@@H+](CCCNCCC(N)=O)CCCO1 ZINC000574150751 364997067 /nfs/dbraw/zinc/99/70/67/364997067.db2.gz IITYVRMBQFQNNR-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO C[C@@H]1C[N@H+](CCCNCCC(N)=O)CCCO1 ZINC000574150751 364997062 /nfs/dbraw/zinc/99/70/62/364997062.db2.gz IITYVRMBQFQNNR-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO C[C@H]1C[N@@H+](CCCNCCC(N)=O)CCCO1 ZINC000574150755 364996920 /nfs/dbraw/zinc/99/69/20/364996920.db2.gz IITYVRMBQFQNNR-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO C[C@H]1C[N@H+](CCCNCCC(N)=O)CCCO1 ZINC000574150755 364996917 /nfs/dbraw/zinc/99/69/17/364996917.db2.gz IITYVRMBQFQNNR-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO NC(C(=O)NCC1CC[NH2+]CC1)C(F)(F)F ZINC000574156420 364997767 /nfs/dbraw/zinc/99/77/67/364997767.db2.gz VSHVEUHWTNJZHR-SSDOTTSWSA-N 1 3 239.241 -0.008 20 0 BBADHO NC(C(=O)NCC1CC[NH2+]CC1)C(F)(F)F ZINC000574156421 364997778 /nfs/dbraw/zinc/99/77/78/364997778.db2.gz VSHVEUHWTNJZHR-ZETCQYMHSA-N 1 3 239.241 -0.008 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)COC1CNC1 ZINC000574159295 364997795 /nfs/dbraw/zinc/99/77/95/364997795.db2.gz ATIIJCLFDGCSMN-UHFFFAOYSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000574200775 491129011 /nfs/dbraw/zinc/12/90/11/491129011.db2.gz QSEZKVRUVKVILG-GHMZBOCLSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000574200776 491129008 /nfs/dbraw/zinc/12/90/08/491129008.db2.gz QSEZKVRUVKVILG-MNOVXSKESA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000574200777 491129066 /nfs/dbraw/zinc/12/90/66/491129066.db2.gz QSEZKVRUVKVILG-QWRGUYRKSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000574200779 491129059 /nfs/dbraw/zinc/12/90/59/491129059.db2.gz QSEZKVRUVKVILG-WDEREUQCSA-N 1 3 243.351 -0.146 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)CNC[C@H]1CCCO1 ZINC000574276268 365026206 /nfs/dbraw/zinc/02/62/06/365026206.db2.gz RUQFHUJNEUTJQJ-GHMZBOCLSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)CNC[C@@H]1CCCO1 ZINC000574276269 365026028 /nfs/dbraw/zinc/02/60/28/365026028.db2.gz RUQFHUJNEUTJQJ-MNOVXSKESA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)CNC[C@@H]1CCCO1 ZINC000574276270 365026242 /nfs/dbraw/zinc/02/62/42/365026242.db2.gz RUQFHUJNEUTJQJ-QWRGUYRKSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)CNC[C@H]1CCCO1 ZINC000574276271 365026295 /nfs/dbraw/zinc/02/62/95/365026295.db2.gz RUQFHUJNEUTJQJ-WDEREUQCSA-N 1 3 243.351 -0.001 20 0 BBADHO N[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)C1CCC1 ZINC000574320742 365036174 /nfs/dbraw/zinc/03/61/74/365036174.db2.gz DLSKNJFQPBNKPL-NXEZZACHSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H](C(=O)NC[C@H]([NH3+])C1CC1)C1CCC1 ZINC000574320745 365035839 /nfs/dbraw/zinc/03/58/39/365035839.db2.gz DLSKNJFQPBNKPL-UWVGGRQHSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)C1CCC1 ZINC000574320746 365036386 /nfs/dbraw/zinc/03/63/86/365036386.db2.gz DLSKNJFQPBNKPL-VHSXEESVSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)C1CCC1 ZINC000574320747 365036240 /nfs/dbraw/zinc/03/62/40/365036240.db2.gz DLSKNJFQPBNKPL-ZJUUUORDSA-N 1 3 211.309 -0.033 20 0 BBADHO CN1CCN(CC[NH2+]CCC(N)=O)CC1(C)C ZINC000574392968 365051351 /nfs/dbraw/zinc/05/13/51/365051351.db2.gz KFXANZGJXVALEP-UHFFFAOYSA-N 1 3 242.367 -0.523 20 0 BBADHO CNCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000574451449 365064923 /nfs/dbraw/zinc/06/49/23/365064923.db2.gz RQQMDNFDSWTNQI-UHFFFAOYSA-N 1 3 249.318 -0.351 20 0 BBADHO CSCC[C@@H](N)C(=O)N(C)CC[NH3+] ZINC000574451750 365065418 /nfs/dbraw/zinc/06/54/18/365065418.db2.gz LOBPKGFATATEKN-SSDOTTSWSA-N 1 3 205.327 -0.516 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCOC1CNC1 ZINC000574454264 365066940 /nfs/dbraw/zinc/06/69/40/365066940.db2.gz VQOOAZJGASHKOC-BDAKNGLRSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)CCOC1CNC1 ZINC000574454265 365060507 /nfs/dbraw/zinc/06/05/07/365060507.db2.gz VQOOAZJGASHKOC-DTWKUNHWSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CCOC1CNC1 ZINC000574454266 365059815 /nfs/dbraw/zinc/05/98/15/365059815.db2.gz VQOOAZJGASHKOC-IUCAKERBSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCOC1CNC1 ZINC000574454267 365060064 /nfs/dbraw/zinc/06/00/64/365060064.db2.gz VQOOAZJGASHKOC-RKDXNWHRSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574512055 365077019 /nfs/dbraw/zinc/07/70/19/365077019.db2.gz IBBVMEXOPBUMKW-QWRGUYRKSA-N 1 3 243.351 -0.456 20 0 BBADHO C[C@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000574512055 365077010 /nfs/dbraw/zinc/07/70/10/365077010.db2.gz IBBVMEXOPBUMKW-QWRGUYRKSA-N 1 3 243.351 -0.456 20 0 BBADHO C[C@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574512057 365076890 /nfs/dbraw/zinc/07/68/90/365076890.db2.gz IBBVMEXOPBUMKW-WDEREUQCSA-N 1 3 243.351 -0.456 20 0 BBADHO C[C@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574512057 365076883 /nfs/dbraw/zinc/07/68/83/365076883.db2.gz IBBVMEXOPBUMKW-WDEREUQCSA-N 1 3 243.351 -0.456 20 0 BBADHO CO[C@H](CN)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000574564731 365090472 /nfs/dbraw/zinc/09/04/72/365090472.db2.gz ZZZRTPYGLHJKNH-NXEZZACHSA-N 1 3 229.324 -0.392 20 0 BBADHO CO[C@@H](CN)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000574564732 365090568 /nfs/dbraw/zinc/09/05/68/365090568.db2.gz ZZZRTPYGLHJKNH-UWVGGRQHSA-N 1 3 229.324 -0.392 20 0 BBADHO CO[C@H](CN)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000574564733 365090528 /nfs/dbraw/zinc/09/05/28/365090528.db2.gz ZZZRTPYGLHJKNH-VHSXEESVSA-N 1 3 229.324 -0.392 20 0 BBADHO CO[C@@H](CN)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000574564734 365090702 /nfs/dbraw/zinc/09/07/02/365090702.db2.gz ZZZRTPYGLHJKNH-ZJUUUORDSA-N 1 3 229.324 -0.392 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574630112 365106313 /nfs/dbraw/zinc/10/63/13/365106313.db2.gz KMHKGTSTZPGFQZ-KXUCPTDWSA-N 1 3 227.308 -0.687 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574630115 365105904 /nfs/dbraw/zinc/10/59/04/365105904.db2.gz KMHKGTSTZPGFQZ-UTLUCORTSA-N 1 3 227.308 -0.687 20 0 BBADHO CN(CC[NH3+])C(=O)C[C@@H]1CSCCN1 ZINC000574637032 365108849 /nfs/dbraw/zinc/10/88/49/365108849.db2.gz PUWUWOHBIPKCEF-MRVPVSSYSA-N 1 3 217.338 -0.501 20 0 BBADHO CN(CC[NH3+])C(=O)C[C@H]1CSCCN1 ZINC000574637033 365109335 /nfs/dbraw/zinc/10/93/35/365109335.db2.gz PUWUWOHBIPKCEF-QMMMGPOBSA-N 1 3 217.338 -0.501 20 0 BBADHO O=C(CNC1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000574637308 365109231 /nfs/dbraw/zinc/10/92/31/365109231.db2.gz YVWKBJQLMMKJIK-SCZZXKLOSA-N 1 3 209.293 -0.441 20 0 BBADHO CC[C@@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000574687764 365121340 /nfs/dbraw/zinc/12/13/40/365121340.db2.gz BKWBFIGHQRHKLT-SNVBAGLBSA-N 1 3 222.292 -0.231 20 0 BBADHO C[NH2+]CCNC(=O)C12CCCN1CCC2 ZINC000574689542 365121003 /nfs/dbraw/zinc/12/10/03/365121003.db2.gz QEGRIHIVPHMRNB-UHFFFAOYSA-N 1 3 211.309 -0.050 20 0 BBADHO COCCNCC(=O)N(C)C1CC([NH3+])C1 ZINC000574690380 365121072 /nfs/dbraw/zinc/12/10/72/365121072.db2.gz FDALAVQODAZPEP-UHFFFAOYSA-N 1 3 215.297 -0.830 20 0 BBADHO [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000574692502 365122737 /nfs/dbraw/zinc/12/27/37/365122737.db2.gz RMOBCQGIANIYFC-GJMOJQLCSA-N 1 3 233.262 -0.163 20 0 BBADHO [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000574692503 365122966 /nfs/dbraw/zinc/12/29/66/365122966.db2.gz RMOBCQGIANIYFC-RNJXMRFFSA-N 1 3 233.262 -0.163 20 0 BBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)COC2CNC2)C1 ZINC000574754733 365134790 /nfs/dbraw/zinc/13/47/90/365134790.db2.gz MNCIBWCCBLDQRT-BDAKNGLRSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)COC2CNC2)C1 ZINC000574754738 365135112 /nfs/dbraw/zinc/13/51/12/365135112.db2.gz MNCIBWCCBLDQRT-DTWKUNHWSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)COC2CNC2)C1 ZINC000574754739 365134845 /nfs/dbraw/zinc/13/48/45/365134845.db2.gz MNCIBWCCBLDQRT-IUCAKERBSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)COC2CNC2)C1 ZINC000574754741 365135386 /nfs/dbraw/zinc/13/53/86/365135386.db2.gz MNCIBWCCBLDQRT-RKDXNWHRSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+]CC1CCN(C(=O)COC2CNC2)CC1 ZINC000574756220 365137298 /nfs/dbraw/zinc/13/72/98/365137298.db2.gz PKZJMZDCMPCHFY-UHFFFAOYSA-N 1 3 227.308 -0.828 20 0 BBADHO CO[C@H](CN)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000574757501 365136402 /nfs/dbraw/zinc/13/64/02/365136402.db2.gz DZKITGCSGAWVRJ-LLVKDONJSA-N 1 3 237.303 -0.265 20 0 BBADHO CO[C@@H](CN)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000574757504 365136477 /nfs/dbraw/zinc/13/64/77/365136477.db2.gz DZKITGCSGAWVRJ-NSHDSACASA-N 1 3 237.303 -0.265 20 0 BBADHO COCC1(CNC(=O)C(C)(C)N)CC[NH2+]CC1 ZINC000574809072 365148866 /nfs/dbraw/zinc/14/88/66/365148866.db2.gz OMNLTPKJDZHRBM-UHFFFAOYSA-N 1 3 243.351 -0.144 20 0 BBADHO C[C@H]1CN(C(=O)CCOC2CNC2)CC[C@H]1[NH3+] ZINC000574874455 365164042 /nfs/dbraw/zinc/16/40/42/365164042.db2.gz KPXCBBROFADCFO-GXSJLCMTSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]1CN(C(=O)CCOC2CNC2)CC[C@@H]1[NH3+] ZINC000574874459 365163801 /nfs/dbraw/zinc/16/38/01/365163801.db2.gz KPXCBBROFADCFO-KOLCDFICSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]1CN(C(=O)CCOC2CNC2)CC[C@H]1[NH3+] ZINC000574874460 365163680 /nfs/dbraw/zinc/16/36/80/365163680.db2.gz KPXCBBROFADCFO-MWLCHTKSSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]1CN(C(=O)CCOC2CNC2)CC[C@@H]1[NH3+] ZINC000574874461 365163441 /nfs/dbraw/zinc/16/34/41/365163441.db2.gz KPXCBBROFADCFO-ONGXEEELSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCN(C(=O)CCCC[NH3+])[C@@H](CN)C1 ZINC000574987647 359522837 /nfs/dbraw/zinc/52/28/37/359522837.db2.gz HVMONIJBZPIXIQ-JTQLQIEISA-N 1 3 228.340 -0.783 20 0 BBADHO CN1CCN(C(=O)CCCC[NH3+])[C@H](CN)C1 ZINC000574987648 359523169 /nfs/dbraw/zinc/52/31/69/359523169.db2.gz HVMONIJBZPIXIQ-SNVBAGLBSA-N 1 3 228.340 -0.783 20 0 BBADHO C[C@H](C[NH3+])C(=O)NCCNc1ccncc1 ZINC000575056897 346459792 /nfs/dbraw/zinc/45/97/92/346459792.db2.gz YSGVLHURHZJFEI-SECBINFHSA-N 1 3 222.292 -0.374 20 0 BBADHO C[C@@H](C[NH3+])C(=O)NCCNc1ccncc1 ZINC000575056898 346459456 /nfs/dbraw/zinc/45/94/56/346459456.db2.gz YSGVLHURHZJFEI-VIFPVBQESA-N 1 3 222.292 -0.374 20 0 BBADHO CN(C)CCOCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000575061010 365182732 /nfs/dbraw/zinc/18/27/32/365182732.db2.gz UYBSKXIHVBTQFH-AOOOYVTPSA-N 1 3 229.324 -0.582 20 0 BBADHO CN[C@@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000575072374 365189509 /nfs/dbraw/zinc/18/95/09/365189509.db2.gz ZFKRXEHSOBFPPX-QWRGUYRKSA-N 1 3 240.351 -0.900 20 0 BBADHO CN[C@@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000575072375 365189177 /nfs/dbraw/zinc/18/91/77/365189177.db2.gz ZFKRXEHSOBFPPX-WDEREUQCSA-N 1 3 240.351 -0.900 20 0 BBADHO NC1(C(=O)NCC2CC[NH2+]CC2)CCC1 ZINC000575121871 345437173 /nfs/dbraw/zinc/43/71/73/345437173.db2.gz LAPWKKSWVGFLDP-UHFFFAOYSA-N 1 3 211.309 -0.016 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)COC1CNC1 ZINC000575124855 365212722 /nfs/dbraw/zinc/21/27/22/365212722.db2.gz KKDQGUNRLWFIQB-SECBINFHSA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)COC1CNC1 ZINC000575124856 365212357 /nfs/dbraw/zinc/21/23/57/365212357.db2.gz KKDQGUNRLWFIQB-VIFPVBQESA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)COC1CNC1 ZINC000575179386 365230403 /nfs/dbraw/zinc/23/04/03/365230403.db2.gz XXAABLYAVWSRHP-UHFFFAOYSA-N 1 3 229.324 -0.521 20 0 BBADHO [NH3+]C1(CNC(=O)CNC[C@@H]2CCCO2)CCC1 ZINC000575300374 365282165 /nfs/dbraw/zinc/28/21/65/365282165.db2.gz PCULOPAGZUDBDQ-JTQLQIEISA-N 1 3 241.335 -0.247 20 0 BBADHO [NH3+]C1(CNC(=O)CNC[C@H]2CCCO2)CCC1 ZINC000575300375 365281559 /nfs/dbraw/zinc/28/15/59/365281559.db2.gz PCULOPAGZUDBDQ-SNVBAGLBSA-N 1 3 241.335 -0.247 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000575309659 365283030 /nfs/dbraw/zinc/28/30/30/365283030.db2.gz SFFXJBVRFAJPID-NXEZZACHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000575309661 365283561 /nfs/dbraw/zinc/28/35/61/365283561.db2.gz SFFXJBVRFAJPID-UWVGGRQHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000575309662 365282990 /nfs/dbraw/zinc/28/29/90/365282990.db2.gz SFFXJBVRFAJPID-VHSXEESVSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000575309663 365283808 /nfs/dbraw/zinc/28/38/08/365283808.db2.gz SFFXJBVRFAJPID-ZJUUUORDSA-N 1 3 241.335 -0.439 20 0 BBADHO N[C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575400426 365310309 /nfs/dbraw/zinc/31/03/09/365310309.db2.gz BBOAKMNDSKSGAV-XQHKEYJVSA-N 1 3 245.326 -0.110 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000575747330 365351099 /nfs/dbraw/zinc/35/10/99/365351099.db2.gz PPFSLBKRYWCPSK-JTQLQIEISA-N 1 3 241.335 -0.438 20 0 BBADHO [NH3+]C[C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000575747331 365351060 /nfs/dbraw/zinc/35/10/60/365351060.db2.gz PPFSLBKRYWCPSK-SNVBAGLBSA-N 1 3 241.335 -0.438 20 0 BBADHO CC1(C)CN(C(=O)C[C@H]2C[NH2+]CCO2)CCN1 ZINC000575748938 365352295 /nfs/dbraw/zinc/35/22/95/365352295.db2.gz SHFUIDKAWBHJFA-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CC1(C)CN(C(=O)C[C@@H]2C[NH2+]CCO2)CCN1 ZINC000575748941 365352813 /nfs/dbraw/zinc/35/28/13/365352813.db2.gz SHFUIDKAWBHJFA-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000575801152 365366669 /nfs/dbraw/zinc/36/66/69/365366669.db2.gz HDBSEXHCQSZLMY-PSASIEDQSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000575801153 365366699 /nfs/dbraw/zinc/36/66/99/365366699.db2.gz HDBSEXHCQSZLMY-SCZZXKLOSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H](NC1CC1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000575801154 365366118 /nfs/dbraw/zinc/36/61/18/365366118.db2.gz HDBSEXHCQSZLMY-WCBMZHEXSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@H](NC1CC1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000575801155 365366480 /nfs/dbraw/zinc/36/64/80/365366480.db2.gz HDBSEXHCQSZLMY-WPRPVWTQSA-N 1 3 211.309 -0.053 20 0 BBADHO C[C@@H](C(=O)N[C@H]1CNCCC1(F)F)C1C[NH2+]C1 ZINC000575801959 365367553 /nfs/dbraw/zinc/36/75/53/365367553.db2.gz AXUQNBVDGYXPNV-APPZFPTMSA-N 1 3 247.289 -0.045 20 0 BBADHO C[C@H](C(=O)N[C@H]1CNCCC1(F)F)C1C[NH2+]C1 ZINC000575801960 365368485 /nfs/dbraw/zinc/36/84/85/365368485.db2.gz AXUQNBVDGYXPNV-CBAPKCEASA-N 1 3 247.289 -0.045 20 0 BBADHO C[C@H](C(=O)N[C@@H]1CNCCC1(F)F)C1C[NH2+]C1 ZINC000575801961 365367913 /nfs/dbraw/zinc/36/79/13/365367913.db2.gz AXUQNBVDGYXPNV-IONNQARKSA-N 1 3 247.289 -0.045 20 0 BBADHO C[C@@H](C(=O)N[C@@H]1CNCCC1(F)F)C1C[NH2+]C1 ZINC000575801962 365367581 /nfs/dbraw/zinc/36/75/81/365367581.db2.gz AXUQNBVDGYXPNV-VXNVDRBHSA-N 1 3 247.289 -0.045 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000575802762 365368408 /nfs/dbraw/zinc/36/84/08/365368408.db2.gz UBPCEHCJKPOJIL-CRCLSJGQSA-N 1 3 213.203 -0.271 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000575802766 365368120 /nfs/dbraw/zinc/36/81/20/365368120.db2.gz UBPCEHCJKPOJIL-RFZPGFLSSA-N 1 3 213.203 -0.271 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000575802767 365368149 /nfs/dbraw/zinc/36/81/49/365368149.db2.gz UBPCEHCJKPOJIL-UHNVWZDZSA-N 1 3 213.203 -0.271 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)C(N)C(F)(F)F ZINC000575802768 365368323 /nfs/dbraw/zinc/36/83/23/365368323.db2.gz UBPCEHCJKPOJIL-WHFBIAKZSA-N 1 3 213.203 -0.271 20 0 BBADHO C[NH2+]CCCN(C)CCC(=O)N1CCNCC1 ZINC000575803893 365367972 /nfs/dbraw/zinc/36/79/72/365367972.db2.gz SNCLNRRNQRQNNV-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO C[N@H+]1CCC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000575806485 365369908 /nfs/dbraw/zinc/36/99/08/365369908.db2.gz NBAQVKCHSPHRTB-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CCC[C@@H](CNC(=O)COC2CNC2)C1 ZINC000575806485 365369904 /nfs/dbraw/zinc/36/99/04/365369904.db2.gz NBAQVKCHSPHRTB-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@H+]1CCC[C@H](CNC(=O)COC2CNC2)C1 ZINC000575806486 365369560 /nfs/dbraw/zinc/36/95/60/365369560.db2.gz NBAQVKCHSPHRTB-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CCC[C@H](CNC(=O)COC2CNC2)C1 ZINC000575806486 365369556 /nfs/dbraw/zinc/36/95/56/365369556.db2.gz NBAQVKCHSPHRTB-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO C[NH2+]CCC(=O)NCCNc1ccncc1 ZINC000575864986 365390821 /nfs/dbraw/zinc/39/08/21/365390821.db2.gz FXSXHECKRUBGHD-UHFFFAOYSA-N 1 3 222.292 -0.359 20 0 BBADHO CN(C(=O)CCOC1CNC1)[C@@H]1CC[NH2+]C1 ZINC000576029075 365455081 /nfs/dbraw/zinc/45/50/81/365455081.db2.gz PVRADAYGXUSFDW-SECBINFHSA-N 1 3 227.308 -0.815 20 0 BBADHO CN(C(=O)CCOC1CNC1)[C@H]1CC[NH2+]C1 ZINC000576029076 365455555 /nfs/dbraw/zinc/45/55/55/365455555.db2.gz PVRADAYGXUSFDW-VIFPVBQESA-N 1 3 227.308 -0.815 20 0 BBADHO O=C(CCOC1CNC1)NCC1=CC[NH2+]CC1 ZINC000576099941 365486028 /nfs/dbraw/zinc/48/60/28/365486028.db2.gz KJCCRHVCBUWJBP-UHFFFAOYSA-N 1 3 239.319 -0.599 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000576100662 365482534 /nfs/dbraw/zinc/48/25/34/365482534.db2.gz WMZLHVWADJVEBX-NXEZZACHSA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000576100663 365483106 /nfs/dbraw/zinc/48/31/06/365483106.db2.gz WMZLHVWADJVEBX-UWVGGRQHSA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000576100664 365482901 /nfs/dbraw/zinc/48/29/01/365482901.db2.gz WMZLHVWADJVEBX-VHSXEESVSA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000576100665 365482873 /nfs/dbraw/zinc/48/28/73/365482873.db2.gz WMZLHVWADJVEBX-ZJUUUORDSA-N 1 3 229.324 -0.406 20 0 BBADHO O=C(CCOC1CNC1)NCCC[NH2+]C1CC1 ZINC000576109597 365490318 /nfs/dbraw/zinc/49/03/18/365490318.db2.gz XLHAJCFCEMBPMZ-UHFFFAOYSA-N 1 3 241.335 -0.377 20 0 BBADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)CC[NH3+])C1(C)C ZINC000576159339 365504418 /nfs/dbraw/zinc/50/44/18/365504418.db2.gz VYXRXSDIXYYMNC-BXKDBHETSA-N 1 3 243.351 -0.064 20 0 BBADHO CCO[C@H]1C[C@](N)(C(=O)N(C)CC[NH3+])C1(C)C ZINC000576159340 365504386 /nfs/dbraw/zinc/50/43/86/365504386.db2.gz VYXRXSDIXYYMNC-CABZTGNLSA-N 1 3 243.351 -0.064 20 0 BBADHO CCO[C@H]1C[C@@](N)(C(=O)N(C)CC[NH3+])C1(C)C ZINC000576159341 365497697 /nfs/dbraw/zinc/49/76/97/365497697.db2.gz VYXRXSDIXYYMNC-JOYOIKCWSA-N 1 3 243.351 -0.064 20 0 BBADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)CC[NH3+])C1(C)C ZINC000576159342 365496893 /nfs/dbraw/zinc/49/68/93/365496893.db2.gz VYXRXSDIXYYMNC-SKDRFNHKSA-N 1 3 243.351 -0.064 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000576171335 365509116 /nfs/dbraw/zinc/50/91/16/365509116.db2.gz LAYXZNUPTAQVDO-PSASIEDQSA-N 1 3 211.309 -0.053 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000576171336 365509104 /nfs/dbraw/zinc/50/91/04/365509104.db2.gz LAYXZNUPTAQVDO-SCZZXKLOSA-N 1 3 211.309 -0.053 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000576171337 365509139 /nfs/dbraw/zinc/50/91/39/365509139.db2.gz LAYXZNUPTAQVDO-WCBMZHEXSA-N 1 3 211.309 -0.053 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000576171338 365508874 /nfs/dbraw/zinc/50/88/74/365508874.db2.gz LAYXZNUPTAQVDO-WPRPVWTQSA-N 1 3 211.309 -0.053 20 0 BBADHO O=C(COC1CNC1)NCC[C@H]1CC[NH2+]C1 ZINC000576225493 365528882 /nfs/dbraw/zinc/52/88/82/365528882.db2.gz PPICXLDIUDQTQL-SECBINFHSA-N 1 3 227.308 -0.909 20 0 BBADHO O=C(COC1CNC1)NCC[C@@H]1CC[NH2+]C1 ZINC000576225494 365528481 /nfs/dbraw/zinc/52/84/81/365528481.db2.gz PPICXLDIUDQTQL-VIFPVBQESA-N 1 3 227.308 -0.909 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)COC1CNC1 ZINC000576228922 365530830 /nfs/dbraw/zinc/53/08/30/365530830.db2.gz HCANJJUTZGTCOB-HTQZYQBOSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)COC1CNC1 ZINC000576228923 365531564 /nfs/dbraw/zinc/53/15/64/365531564.db2.gz HCANJJUTZGTCOB-JGVFFNPUSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)COC1CNC1 ZINC000576228924 365531071 /nfs/dbraw/zinc/53/10/71/365531071.db2.gz HCANJJUTZGTCOB-SFYZADRCSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)COC1CNC1 ZINC000576228925 365530711 /nfs/dbraw/zinc/53/07/11/365530711.db2.gz HCANJJUTZGTCOB-YUMQZZPRSA-N 1 3 215.297 -0.783 20 0 BBADHO NC1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC1 ZINC000576277649 365546834 /nfs/dbraw/zinc/54/68/34/365546834.db2.gz LOQROHATNNRLTE-SECBINFHSA-N 1 3 211.309 -0.016 20 0 BBADHO NC1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC1 ZINC000576277650 365546397 /nfs/dbraw/zinc/54/63/97/365546397.db2.gz LOQROHATNNRLTE-VIFPVBQESA-N 1 3 211.309 -0.016 20 0 BBADHO COCC[NH2+]CCNC(=O)C(N)C(F)(F)F ZINC000576278037 365546689 /nfs/dbraw/zinc/54/66/89/365546689.db2.gz CAPQXMALLXTCSK-LURJTMIESA-N 1 3 243.229 -0.772 20 0 BBADHO COCC[NH2+]CCNC(=O)C(N)C(F)(F)F ZINC000576278038 365546443 /nfs/dbraw/zinc/54/64/43/365546443.db2.gz CAPQXMALLXTCSK-ZCFIWIBFSA-N 1 3 243.229 -0.772 20 0 BBADHO COCCN(C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000576341969 365571023 /nfs/dbraw/zinc/57/10/23/365571023.db2.gz JNOUSORHPKFEMT-UHFFFAOYSA-N 1 3 243.351 -0.190 20 0 BBADHO C[NH2+]C[C@@H](C)CNC(=O)CCOC1CNC1 ZINC000576344388 365572393 /nfs/dbraw/zinc/57/23/93/365572393.db2.gz LADXIDMRSTVQAE-SECBINFHSA-N 1 3 229.324 -0.663 20 0 BBADHO C[NH2+]C[C@H](C)CNC(=O)CCOC1CNC1 ZINC000576344389 365571736 /nfs/dbraw/zinc/57/17/36/365571736.db2.gz LADXIDMRSTVQAE-VIFPVBQESA-N 1 3 229.324 -0.663 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)COC1CNC1 ZINC000576347313 365573524 /nfs/dbraw/zinc/57/35/24/365573524.db2.gz ZPNYNPAOHTYYRV-LLVKDONJSA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)COC1CNC1 ZINC000576347314 365573958 /nfs/dbraw/zinc/57/39/58/365573958.db2.gz ZPNYNPAOHTYYRV-NSHDSACASA-N 1 3 229.324 -0.536 20 0 BBADHO CN(C(=O)COC1CNC1)C1CC[NH2+]CC1 ZINC000576397709 365585826 /nfs/dbraw/zinc/58/58/26/365585826.db2.gz FSUGVKKOZYRZJT-UHFFFAOYSA-N 1 3 227.308 -0.815 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N(C)CCC[NH3+] ZINC000576412458 365591266 /nfs/dbraw/zinc/59/12/66/365591266.db2.gz ULTJHBMSNVLXHG-VIFPVBQESA-N 1 3 216.329 -0.073 20 0 BBADHO CO[C@H](CN)C(=O)NC(C)(C)CC[NH3+] ZINC000576628199 365642624 /nfs/dbraw/zinc/64/26/24/365642624.db2.gz RGCMPNGNGQYBRO-SSDOTTSWSA-N 1 3 203.286 -0.796 20 0 BBADHO CO[C@@H](CN)C(=O)NC(C)(C)CC[NH3+] ZINC000576628205 365642425 /nfs/dbraw/zinc/64/24/25/365642425.db2.gz RGCMPNGNGQYBRO-ZETCQYMHSA-N 1 3 203.286 -0.796 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)CCOC1CNC1 ZINC000576696483 365659942 /nfs/dbraw/zinc/65/99/42/365659942.db2.gz SIAKXZAPESTIDY-SECBINFHSA-N 1 3 229.324 -0.521 20 0 BBADHO [NH3+]CCNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000576701485 365662650 /nfs/dbraw/zinc/66/26/50/365662650.db2.gz DMNUZWYGWCHJNW-LLVKDONJSA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]CCNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000576701487 365663435 /nfs/dbraw/zinc/66/34/35/365663435.db2.gz DMNUZWYGWCHJNW-NSHDSACASA-N 1 3 241.335 -0.295 20 0 BBADHO CN(C(=O)[C@H](N)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000576702480 365663079 /nfs/dbraw/zinc/66/30/79/365663079.db2.gz YHXDJSLZFODEDN-NXEZZACHSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C(=O)[C@@H](N)C1CCC1)[C@H]1CC[NH2+]C1 ZINC000576702481 365662979 /nfs/dbraw/zinc/66/29/79/365662979.db2.gz YHXDJSLZFODEDN-UWVGGRQHSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C(=O)[C@H](N)C1CCC1)[C@H]1CC[NH2+]C1 ZINC000576702482 365663239 /nfs/dbraw/zinc/66/32/39/365663239.db2.gz YHXDJSLZFODEDN-VHSXEESVSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C(=O)[C@@H](N)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000576702483 365662627 /nfs/dbraw/zinc/66/26/27/365662627.db2.gz YHXDJSLZFODEDN-ZJUUUORDSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)N(C)C ZINC000576718778 365670435 /nfs/dbraw/zinc/67/04/35/365670435.db2.gz HUCRMTIMAMILAM-IUCAKERBSA-N 1 3 214.313 -0.402 20 0 BBADHO COCCNCC(=O)N1CCC(C[NH3+])CC1 ZINC000576753268 365676711 /nfs/dbraw/zinc/67/67/11/365676711.db2.gz FLSYPXMJGKOELM-UHFFFAOYSA-N 1 3 229.324 -0.580 20 0 BBADHO CN1CCNC[C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000576755525 365678093 /nfs/dbraw/zinc/67/80/93/365678093.db2.gz OLCNPCBFRGJXHL-GHMZBOCLSA-N 1 3 212.341 -0.768 20 0 BBADHO CN1CCNC[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000576755526 365677737 /nfs/dbraw/zinc/67/77/37/365677737.db2.gz OLCNPCBFRGJXHL-MNOVXSKESA-N 1 3 212.341 -0.768 20 0 BBADHO CN1CCNC[C@H]1CN[C@H]1CCC[NH2+]C1 ZINC000576755527 365678404 /nfs/dbraw/zinc/67/84/04/365678404.db2.gz OLCNPCBFRGJXHL-QWRGUYRKSA-N 1 3 212.341 -0.768 20 0 BBADHO CN1CCNC[C@@H]1CN[C@H]1CCC[NH2+]C1 ZINC000576755528 365678473 /nfs/dbraw/zinc/67/84/73/365678473.db2.gz OLCNPCBFRGJXHL-WDEREUQCSA-N 1 3 212.341 -0.768 20 0 BBADHO C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1 ZINC000576756188 365678423 /nfs/dbraw/zinc/67/84/23/365678423.db2.gz GKFVVKIFSNREKG-AATLWQCWSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CN1 ZINC000576756189 365678214 /nfs/dbraw/zinc/67/82/14/365678214.db2.gz GKFVVKIFSNREKG-KYXWUPHJSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000576756190 365678497 /nfs/dbraw/zinc/67/84/97/365678497.db2.gz GKFVVKIFSNREKG-QCLAVDOMSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1 ZINC000576756191 365678224 /nfs/dbraw/zinc/67/82/24/365678224.db2.gz GKFVVKIFSNREKG-RGOKHQFPSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CNCCO1 ZINC000576822271 365694214 /nfs/dbraw/zinc/69/42/14/365694214.db2.gz FHNUOCBYAPDZQE-PSASIEDQSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CNCCO1 ZINC000576822272 365694870 /nfs/dbraw/zinc/69/48/70/365694870.db2.gz FHNUOCBYAPDZQE-SCZZXKLOSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CNCCO1 ZINC000576822273 365694450 /nfs/dbraw/zinc/69/44/50/365694450.db2.gz FHNUOCBYAPDZQE-WCBMZHEXSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CNCCO1 ZINC000576822274 365694765 /nfs/dbraw/zinc/69/47/65/365694765.db2.gz FHNUOCBYAPDZQE-WPRPVWTQSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000576825041 365695849 /nfs/dbraw/zinc/69/58/49/365695849.db2.gz JGCBXARGCMFMNN-AXFHLTTASA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1NCCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000576825043 365695597 /nfs/dbraw/zinc/69/55/97/365695597.db2.gz JGCBXARGCMFMNN-DCAQKATOSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1NCCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000576825045 365696272 /nfs/dbraw/zinc/69/62/72/365696272.db2.gz JGCBXARGCMFMNN-GARJFASQSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000576825048 365692691 /nfs/dbraw/zinc/69/26/91/365692691.db2.gz JGCBXARGCMFMNN-HBNTYKKESA-N 1 3 241.335 -0.426 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000576830100 365697623 /nfs/dbraw/zinc/69/76/23/365697623.db2.gz PQZQWLZOOVMKEB-GXSJLCMTSA-N 1 3 231.340 -0.729 20 0 BBADHO CNC[C@@](C)(O)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000576830100 365697617 /nfs/dbraw/zinc/69/76/17/365697617.db2.gz PQZQWLZOOVMKEB-GXSJLCMTSA-N 1 3 231.340 -0.729 20 0 BBADHO CNC[C@](C)(O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000576830101 365697011 /nfs/dbraw/zinc/69/70/11/365697011.db2.gz PQZQWLZOOVMKEB-KOLCDFICSA-N 1 3 231.340 -0.729 20 0 BBADHO CNC[C@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000576830101 365697008 /nfs/dbraw/zinc/69/70/08/365697008.db2.gz PQZQWLZOOVMKEB-KOLCDFICSA-N 1 3 231.340 -0.729 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000576830102 365697296 /nfs/dbraw/zinc/69/72/96/365697296.db2.gz PQZQWLZOOVMKEB-MWLCHTKSSA-N 1 3 231.340 -0.729 20 0 BBADHO CNC[C@@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000576830102 365697288 /nfs/dbraw/zinc/69/72/88/365697288.db2.gz PQZQWLZOOVMKEB-MWLCHTKSSA-N 1 3 231.340 -0.729 20 0 BBADHO CNC[C@](C)(O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000576830103 365696982 /nfs/dbraw/zinc/69/69/82/365696982.db2.gz PQZQWLZOOVMKEB-ONGXEEELSA-N 1 3 231.340 -0.729 20 0 BBADHO CNC[C@](C)(O)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000576830103 365696979 /nfs/dbraw/zinc/69/69/79/365696979.db2.gz PQZQWLZOOVMKEB-ONGXEEELSA-N 1 3 231.340 -0.729 20 0 BBADHO COCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000576833391 365698963 /nfs/dbraw/zinc/69/89/63/365698963.db2.gz QBZGKTMWZGNVKE-MNOVXSKESA-N 1 3 241.335 -0.439 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000576872582 365709962 /nfs/dbraw/zinc/70/99/62/365709962.db2.gz LFZFCKKWADTVGG-NXEZZACHSA-N 1 3 229.324 -0.663 20 0 BBADHO COCCNCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000576872583 365709850 /nfs/dbraw/zinc/70/98/50/365709850.db2.gz LFZFCKKWADTVGG-UWVGGRQHSA-N 1 3 229.324 -0.663 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000576872585 365710076 /nfs/dbraw/zinc/71/00/76/365710076.db2.gz LFZFCKKWADTVGG-VHSXEESVSA-N 1 3 229.324 -0.663 20 0 BBADHO COCCNCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000576872587 365709582 /nfs/dbraw/zinc/70/95/82/365709582.db2.gz LFZFCKKWADTVGG-ZJUUUORDSA-N 1 3 229.324 -0.663 20 0 BBADHO COC[C@@H](CCC[NH3+])N[C@@H]1COC[C@H]1OC ZINC000576875036 365710257 /nfs/dbraw/zinc/71/02/57/365710257.db2.gz HLSUTAXVZXDUHQ-GMTAPVOTSA-N 1 3 232.324 -0.256 20 0 BBADHO COC[C@H](CCC[NH3+])N[C@@H]1COC[C@H]1OC ZINC000576875041 365710150 /nfs/dbraw/zinc/71/01/50/365710150.db2.gz HLSUTAXVZXDUHQ-HBNTYKKESA-N 1 3 232.324 -0.256 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576887171 398242925 /nfs/dbraw/zinc/24/29/25/398242925.db2.gz SHWQEDQPSPPQGS-AEJSXWLSSA-N 1 3 211.309 -0.053 20 0 BBADHO NC1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000576941567 365726526 /nfs/dbraw/zinc/72/65/26/365726526.db2.gz JXEYRNQBSBESEH-SECBINFHSA-N 1 3 211.309 -0.016 20 0 BBADHO NC1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC1 ZINC000576941570 365726602 /nfs/dbraw/zinc/72/66/02/365726602.db2.gz JXEYRNQBSBESEH-VIFPVBQESA-N 1 3 211.309 -0.016 20 0 BBADHO CCCN(C)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576941711 365726842 /nfs/dbraw/zinc/72/68/42/365726842.db2.gz PEELCGMULYMAOW-LLVKDONJSA-N 1 3 242.367 -0.571 20 0 BBADHO CCCN(C)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576941712 365726147 /nfs/dbraw/zinc/72/61/47/365726147.db2.gz PEELCGMULYMAOW-NSHDSACASA-N 1 3 242.367 -0.571 20 0 BBADHO [NH3+]CCC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000576941793 365726204 /nfs/dbraw/zinc/72/62/04/365726204.db2.gz QZERYHJXPJPNAO-UHFFFAOYSA-N 1 3 249.318 -0.222 20 0 BBADHO CC[C@@H](N)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000576941836 365727780 /nfs/dbraw/zinc/72/77/80/365727780.db2.gz RTUXGZLCTOHUCJ-KOLCDFICSA-N 1 3 229.324 -0.392 20 0 BBADHO CC[C@@H](N)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000576941839 365728382 /nfs/dbraw/zinc/72/83/82/365728382.db2.gz RTUXGZLCTOHUCJ-MWLCHTKSSA-N 1 3 229.324 -0.392 20 0 BBADHO N[C@H](C(=O)N[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000576942069 365727764 /nfs/dbraw/zinc/72/77/64/365727764.db2.gz WDBHBLPWFKUEDH-QWRGUYRKSA-N 1 3 241.335 -0.392 20 0 BBADHO COCCNCC(=O)NCCC[NH2+]C1CC1 ZINC000576944976 365728244 /nfs/dbraw/zinc/72/82/44/365728244.db2.gz NVIAOCSNQICFPP-UHFFFAOYSA-N 1 3 229.324 -0.519 20 0 BBADHO CC[NH2+]CCCNC(=O)[C@H](N)CCC(=O)OC ZINC000576986489 365744110 /nfs/dbraw/zinc/74/41/10/365744110.db2.gz QEKSCAGLRBFKKY-SECBINFHSA-N 1 3 245.323 -0.617 20 0 BBADHO CC[NH2+]CCCNC(=O)[C@@H](N)CCC(=O)OC ZINC000576986491 365744584 /nfs/dbraw/zinc/74/45/84/365744584.db2.gz QEKSCAGLRBFKKY-VIFPVBQESA-N 1 3 245.323 -0.617 20 0 BBADHO C[C@H]1C[NH2+]CCN1C(=O)c1ccnc(CN)c1 ZINC000576988225 365744425 /nfs/dbraw/zinc/74/44/25/365744425.db2.gz NNPIDKUKEOHECN-VIFPVBQESA-N 1 3 234.303 -0.026 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000576998339 365749360 /nfs/dbraw/zinc/74/93/60/365749360.db2.gz KZIDRBRSSFHNGJ-CMPLNLGQSA-N 1 3 243.351 -0.456 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000576998339 365749357 /nfs/dbraw/zinc/74/93/57/365749357.db2.gz KZIDRBRSSFHNGJ-CMPLNLGQSA-N 1 3 243.351 -0.456 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](CC(N)=O)C1 ZINC000576998339 365749354 /nfs/dbraw/zinc/74/93/54/365749354.db2.gz KZIDRBRSSFHNGJ-CMPLNLGQSA-N 1 3 243.351 -0.456 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000576998342 365748621 /nfs/dbraw/zinc/74/86/21/365748621.db2.gz KZIDRBRSSFHNGJ-JQWIXIFHSA-N 1 3 243.351 -0.456 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000576998342 365748615 /nfs/dbraw/zinc/74/86/15/365748615.db2.gz KZIDRBRSSFHNGJ-JQWIXIFHSA-N 1 3 243.351 -0.456 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](CC(N)=O)C1 ZINC000576998342 365748607 /nfs/dbraw/zinc/74/86/07/365748607.db2.gz KZIDRBRSSFHNGJ-JQWIXIFHSA-N 1 3 243.351 -0.456 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000576998343 365748673 /nfs/dbraw/zinc/74/86/73/365748673.db2.gz KZIDRBRSSFHNGJ-PWSUYJOCSA-N 1 3 243.351 -0.456 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000576998343 365748670 /nfs/dbraw/zinc/74/86/70/365748670.db2.gz KZIDRBRSSFHNGJ-PWSUYJOCSA-N 1 3 243.351 -0.456 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](CC(N)=O)C1 ZINC000576998343 365748665 /nfs/dbraw/zinc/74/86/65/365748665.db2.gz KZIDRBRSSFHNGJ-PWSUYJOCSA-N 1 3 243.351 -0.456 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000576998344 365749412 /nfs/dbraw/zinc/74/94/12/365749412.db2.gz KZIDRBRSSFHNGJ-ZYHUDNBSSA-N 1 3 243.351 -0.456 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000576998344 365749410 /nfs/dbraw/zinc/74/94/10/365749410.db2.gz KZIDRBRSSFHNGJ-ZYHUDNBSSA-N 1 3 243.351 -0.456 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](CC(N)=O)C1 ZINC000576998344 365749406 /nfs/dbraw/zinc/74/94/06/365749406.db2.gz KZIDRBRSSFHNGJ-ZYHUDNBSSA-N 1 3 243.351 -0.456 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@@H](C)NC1CC1 ZINC000577061394 365799256 /nfs/dbraw/zinc/79/92/56/365799256.db2.gz MPYRQXSQVNQWCI-SECBINFHSA-N 1 3 229.324 -0.521 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@H](C)NC1CC1 ZINC000577061395 365799213 /nfs/dbraw/zinc/79/92/13/365799213.db2.gz MPYRQXSQVNQWCI-VIFPVBQESA-N 1 3 229.324 -0.521 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)C[C@H]1CSCCN1 ZINC000577106769 365816989 /nfs/dbraw/zinc/81/69/89/365816989.db2.gz INKNYJCPZCREBI-BDAKNGLRSA-N 1 3 231.365 -0.065 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)C[C@@H]1CSCCN1 ZINC000577106791 365812050 /nfs/dbraw/zinc/81/20/50/365812050.db2.gz INKNYJCPZCREBI-DTWKUNHWSA-N 1 3 231.365 -0.065 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)C[C@H]1CSCCN1 ZINC000577106795 365812542 /nfs/dbraw/zinc/81/25/42/365812542.db2.gz INKNYJCPZCREBI-IUCAKERBSA-N 1 3 231.365 -0.065 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)C[C@@H]1CSCCN1 ZINC000577106797 365812271 /nfs/dbraw/zinc/81/22/71/365812271.db2.gz INKNYJCPZCREBI-RKDXNWHRSA-N 1 3 231.365 -0.065 20 0 BBADHO CC(C)C(=O)NCCN(C)CCOCC[NH3+] ZINC000577109801 365818590 /nfs/dbraw/zinc/81/85/90/365818590.db2.gz CLBLTWATSKGXLQ-UHFFFAOYSA-N 1 3 231.340 -0.334 20 0 BBADHO CC[C@H](N)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000577219964 365887634 /nfs/dbraw/zinc/88/76/34/365887634.db2.gz RTUXGZLCTOHUCJ-GXSJLCMTSA-N 1 3 229.324 -0.392 20 0 BBADHO CC[C@H](N)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000577219965 365888441 /nfs/dbraw/zinc/88/84/41/365888441.db2.gz RTUXGZLCTOHUCJ-ONGXEEELSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@H]1CCN(CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000577282874 365916964 /nfs/dbraw/zinc/91/69/64/365916964.db2.gz AZHDOWLABIPAOQ-GARJFASQSA-N 1 3 241.335 -0.833 20 0 BBADHO C[C@@H]1CCN(CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000577282875 365917627 /nfs/dbraw/zinc/91/76/27/365917627.db2.gz AZHDOWLABIPAOQ-OUAUKWLOSA-N 1 3 241.335 -0.833 20 0 BBADHO CCN(CC)CC(=O)N1CCC(O)(C[NH3+])CC1 ZINC000577370926 365936475 /nfs/dbraw/zinc/93/64/75/365936475.db2.gz JFKASMDESFIHEP-UHFFFAOYSA-N 1 3 243.351 -0.360 20 0 BBADHO CCN(CC)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577372091 365936292 /nfs/dbraw/zinc/93/62/92/365936292.db2.gz SJUQLEARCWMJGV-LLVKDONJSA-N 1 3 242.367 -0.571 20 0 BBADHO CCN(CC)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577372096 365936508 /nfs/dbraw/zinc/93/65/08/365936508.db2.gz SJUQLEARCWMJGV-NSHDSACASA-N 1 3 242.367 -0.571 20 0 BBADHO [NH3+]C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000577393933 365944001 /nfs/dbraw/zinc/94/40/01/365944001.db2.gz BYRNVXMFCXNJQR-KXUCPTDWSA-N 1 3 229.299 -0.116 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000577393934 365944341 /nfs/dbraw/zinc/94/43/41/365944341.db2.gz BYRNVXMFCXNJQR-LPEHRKFASA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)COC1CNC1 ZINC000577393960 365944393 /nfs/dbraw/zinc/94/43/93/365944393.db2.gz FTWVXPZFAKROSZ-BDAKNGLRSA-N 1 3 227.308 -0.830 20 0 BBADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)COC1CNC1 ZINC000577393961 365944400 /nfs/dbraw/zinc/94/44/00/365944400.db2.gz FTWVXPZFAKROSZ-DTWKUNHWSA-N 1 3 227.308 -0.830 20 0 BBADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)COC1CNC1 ZINC000577393962 365943944 /nfs/dbraw/zinc/94/39/44/365943944.db2.gz FTWVXPZFAKROSZ-IUCAKERBSA-N 1 3 227.308 -0.830 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)COC1CNC1 ZINC000577393963 365944527 /nfs/dbraw/zinc/94/45/27/365944527.db2.gz FTWVXPZFAKROSZ-RKDXNWHRSA-N 1 3 227.308 -0.830 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000577483873 365965521 /nfs/dbraw/zinc/96/55/21/365965521.db2.gz CDUGDPLATNEDRN-AEJSXWLSSA-N 1 3 227.308 -0.830 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000577483876 365964944 /nfs/dbraw/zinc/96/49/44/365964944.db2.gz CDUGDPLATNEDRN-IVZWLZJFSA-N 1 3 227.308 -0.830 20 0 BBADHO CC[NH2+]CCCNC(=O)NCCN(C)C ZINC000577486781 365965723 /nfs/dbraw/zinc/96/57/23/365965723.db2.gz LTQYLQKPLNJNBK-UHFFFAOYSA-N 1 3 216.329 -0.153 20 0 BBADHO C[NH2+]CCCN(C)C(=O)CCOC1CNC1 ZINC000577491941 365968102 /nfs/dbraw/zinc/96/81/02/365968102.db2.gz WSQLVHALUUIZMB-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC(CC[NH3+])CC1 ZINC000577502346 365970545 /nfs/dbraw/zinc/97/05/45/365970545.db2.gz HCKJFVWVLZIXBY-JTQLQIEISA-N 1 3 229.324 -0.453 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC(CC[NH3+])CC1 ZINC000577502347 365970425 /nfs/dbraw/zinc/97/04/25/365970425.db2.gz HCKJFVWVLZIXBY-SNVBAGLBSA-N 1 3 229.324 -0.453 20 0 BBADHO COCCNCCNC(=O)CC[NH2+]C1CC1 ZINC000577529173 365980093 /nfs/dbraw/zinc/98/00/93/365980093.db2.gz ORASBLUGNRCJFS-UHFFFAOYSA-N 1 3 229.324 -0.519 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCN2CCC1CC2 ZINC000577607933 366016069 /nfs/dbraw/zinc/01/60/69/366016069.db2.gz JNQZEUFTXALUDC-LLVKDONJSA-N 1 3 241.335 -0.343 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCN2CCC1CC2 ZINC000577607934 366008372 /nfs/dbraw/zinc/00/83/72/366008372.db2.gz JNQZEUFTXALUDC-NSHDSACASA-N 1 3 241.335 -0.343 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)C[C@H]1CNCCO1 ZINC000577608885 366015967 /nfs/dbraw/zinc/01/59/67/366015967.db2.gz KNTVHZZQXQNHQA-BDAKNGLRSA-N 1 3 215.297 -0.782 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)C[C@@H]1CNCCO1 ZINC000577608886 366015841 /nfs/dbraw/zinc/01/58/41/366015841.db2.gz KNTVHZZQXQNHQA-DTWKUNHWSA-N 1 3 215.297 -0.782 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)C[C@H]1CNCCO1 ZINC000577608887 366016232 /nfs/dbraw/zinc/01/62/32/366016232.db2.gz KNTVHZZQXQNHQA-IUCAKERBSA-N 1 3 215.297 -0.782 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)C[C@@H]1CNCCO1 ZINC000577608888 366016127 /nfs/dbraw/zinc/01/61/27/366016127.db2.gz KNTVHZZQXQNHQA-RKDXNWHRSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)C[C@H](N)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000577632687 366026994 /nfs/dbraw/zinc/02/69/94/366026994.db2.gz YUYKGVJSGMRVPC-MNOVXSKESA-N 1 3 242.367 -0.620 20 0 BBADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000577632688 344585522 /nfs/dbraw/zinc/58/55/22/344585522.db2.gz YUYKGVJSGMRVPC-QWRGUYRKSA-N 1 3 242.367 -0.620 20 0 BBADHO CO[C@H](CN)C(=O)NCCC[NH2+]C1CC1 ZINC000577636244 366028264 /nfs/dbraw/zinc/02/82/64/366028264.db2.gz NGVPZMZKIOCLNB-SECBINFHSA-N 1 3 215.297 -0.782 20 0 BBADHO CO[C@@H](CN)C(=O)NCCC[NH2+]C1CC1 ZINC000577636245 366028452 /nfs/dbraw/zinc/02/84/52/366028452.db2.gz NGVPZMZKIOCLNB-VIFPVBQESA-N 1 3 215.297 -0.782 20 0 BBADHO CN[C@@H](C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000577649240 366029172 /nfs/dbraw/zinc/02/91/72/366029172.db2.gz XLLYJHHNRXMKMP-GXSJLCMTSA-N 1 3 229.324 -0.521 20 0 BBADHO CN[C@@H](C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000577649243 366029087 /nfs/dbraw/zinc/02/90/87/366029087.db2.gz XLLYJHHNRXMKMP-ONGXEEELSA-N 1 3 229.324 -0.521 20 0 BBADHO O=C(CNC1CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000577727077 366043791 /nfs/dbraw/zinc/04/37/91/366043791.db2.gz XHEMGNKBGVIYQY-GFCCVEGCSA-N 1 3 223.320 -0.050 20 0 BBADHO O=C(CNC1CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000577727078 366043504 /nfs/dbraw/zinc/04/35/04/366043504.db2.gz XHEMGNKBGVIYQY-LBPRGKRZSA-N 1 3 223.320 -0.050 20 0 BBADHO [NH3+][C@H](CNC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000577868296 366092938 /nfs/dbraw/zinc/09/29/38/366092938.db2.gz HXXHGRMTEFNOGU-NXEZZACHSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+][C@@H](CNC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000577868297 366092552 /nfs/dbraw/zinc/09/25/52/366092552.db2.gz HXXHGRMTEFNOGU-UWVGGRQHSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+][C@H](CNC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000577868298 366092985 /nfs/dbraw/zinc/09/29/85/366092985.db2.gz HXXHGRMTEFNOGU-VHSXEESVSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+][C@@H](CNC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000577868299 366092518 /nfs/dbraw/zinc/09/25/18/366092518.db2.gz HXXHGRMTEFNOGU-ZJUUUORDSA-N 1 3 227.308 -0.782 20 0 BBADHO CCC[C@@](C)(N)C(=O)NCCN1CC[NH2+]CC1 ZINC000577868305 366093082 /nfs/dbraw/zinc/09/30/82/366093082.db2.gz IPTYUIGHHKSMRS-GFCCVEGCSA-N 1 3 242.367 -0.475 20 0 BBADHO CCC[C@](C)(N)C(=O)NCCN1CC[NH2+]CC1 ZINC000577868306 366092976 /nfs/dbraw/zinc/09/29/76/366092976.db2.gz IPTYUIGHHKSMRS-LBPRGKRZSA-N 1 3 242.367 -0.475 20 0 BBADHO CC(C)(N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000577951023 366134998 /nfs/dbraw/zinc/13/49/98/366134998.db2.gz SBHGWANBWNVKAA-JTQLQIEISA-N 1 3 240.351 -0.770 20 0 BBADHO CC(C)(N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000577951024 366134306 /nfs/dbraw/zinc/13/43/06/366134306.db2.gz SBHGWANBWNVKAA-SNVBAGLBSA-N 1 3 240.351 -0.770 20 0 BBADHO COCCNCC(=O)NCCC[NH2+]C(C)C ZINC000577951208 344657486 /nfs/dbraw/zinc/65/74/86/344657486.db2.gz FJMFCBUXNRDKMI-UHFFFAOYSA-N 1 3 231.340 -0.273 20 0 BBADHO [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]1CNCCO1 ZINC000578011401 366175458 /nfs/dbraw/zinc/17/54/58/366175458.db2.gz IWAMLSVFYLPDOS-GHMZBOCLSA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]C[C@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC000578011402 366176242 /nfs/dbraw/zinc/17/62/42/366176242.db2.gz IWAMLSVFYLPDOS-MNOVXSKESA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC000578011403 366176097 /nfs/dbraw/zinc/17/60/97/366176097.db2.gz IWAMLSVFYLPDOS-QWRGUYRKSA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CNCCO1 ZINC000578011404 366175485 /nfs/dbraw/zinc/17/54/85/366175485.db2.gz IWAMLSVFYLPDOS-WDEREUQCSA-N 1 3 241.335 -0.295 20 0 BBADHO O=C1NCC[C@@H]1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578013440 366180279 /nfs/dbraw/zinc/18/02/79/366180279.db2.gz QFKACFIZVQLFSU-AXFHLTTASA-N 1 3 223.320 -0.194 20 0 BBADHO O=C1NCC[C@H]1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578013441 366180644 /nfs/dbraw/zinc/18/06/44/366180644.db2.gz QFKACFIZVQLFSU-OUAUKWLOSA-N 1 3 223.320 -0.194 20 0 BBADHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@H](C)C[NH3+])C1(C)C ZINC000578191945 366376208 /nfs/dbraw/zinc/37/62/08/366376208.db2.gz TVDBWTJERQOEDI-KBVBSXBZSA-N 1 3 243.351 -0.018 20 0 BBADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C)C[NH3+])C1(C)C ZINC000578191946 366376150 /nfs/dbraw/zinc/37/61/50/366376150.db2.gz TVDBWTJERQOEDI-LNLATYFQSA-N 1 3 243.351 -0.018 20 0 BBADHO CCO[C@H]1C[C@](N)(C(=O)N[C@H](C)C[NH3+])C1(C)C ZINC000578191947 366376766 /nfs/dbraw/zinc/37/67/66/366376766.db2.gz TVDBWTJERQOEDI-PTRXPTGYSA-N 1 3 243.351 -0.018 20 0 BBADHO CCO[C@H]1C[C@@](N)(C(=O)N[C@H](C)C[NH3+])C1(C)C ZINC000578191948 366376460 /nfs/dbraw/zinc/37/64/60/366376460.db2.gz TVDBWTJERQOEDI-VDDIYKPWSA-N 1 3 243.351 -0.018 20 0 BBADHO O=C(CNC1CC1)NCCC[NH2+]C1CC1 ZINC000578194259 366379030 /nfs/dbraw/zinc/37/90/30/366379030.db2.gz QPNMBQPGJWAIHN-UHFFFAOYSA-N 1 3 211.309 -0.003 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000578231700 366463177 /nfs/dbraw/zinc/46/31/77/366463177.db2.gz BVWQTUNCUKZENI-NTSWFWBYSA-N 1 3 243.229 -0.644 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000578231701 366463328 /nfs/dbraw/zinc/46/33/28/366463328.db2.gz BVWQTUNCUKZENI-PHDIDXHHSA-N 1 3 243.229 -0.644 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000578231702 366463447 /nfs/dbraw/zinc/46/34/47/366463447.db2.gz BVWQTUNCUKZENI-RITPCOANSA-N 1 3 243.229 -0.644 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000578231703 366462984 /nfs/dbraw/zinc/46/29/84/366462984.db2.gz BVWQTUNCUKZENI-WDSKDSINSA-N 1 3 243.229 -0.644 20 0 BBADHO C[NH2+]C[C@H]1CCCN(C(=O)CNCCOC)C1 ZINC000578321722 366509759 /nfs/dbraw/zinc/50/97/59/366509759.db2.gz WYRPMTPSPGFREZ-LLVKDONJSA-N 1 3 243.351 -0.320 20 0 BBADHO C[NH2+]C[C@@H]1CCCN(C(=O)CNCCOC)C1 ZINC000578321723 366504381 /nfs/dbraw/zinc/50/43/81/366504381.db2.gz WYRPMTPSPGFREZ-NSHDSACASA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C(=O)CCOC1CNC1)[C@H](C[NH3+])C1CC1 ZINC000578505757 366581238 /nfs/dbraw/zinc/58/12/38/366581238.db2.gz HXICFHNETRCSDL-LLVKDONJSA-N 1 3 241.335 -0.439 20 0 BBADHO CN(C(=O)CCOC1CNC1)[C@@H](C[NH3+])C1CC1 ZINC000578505758 366582880 /nfs/dbraw/zinc/58/28/80/366582880.db2.gz HXICFHNETRCSDL-NSHDSACASA-N 1 3 241.335 -0.439 20 0 BBADHO CC[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578505894 366582774 /nfs/dbraw/zinc/58/27/74/366582774.db2.gz QKRGVYOINOPLSL-BDAKNGLRSA-N 1 3 215.297 -0.782 20 0 BBADHO CC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578505895 366583116 /nfs/dbraw/zinc/58/31/16/366583116.db2.gz QKRGVYOINOPLSL-IUCAKERBSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)CCOC1CNC1 ZINC000578520522 366589478 /nfs/dbraw/zinc/58/94/78/366589478.db2.gz DAAWHHNIMQBOOJ-UHFFFAOYSA-N 1 3 229.324 -0.392 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000578528491 366591932 /nfs/dbraw/zinc/59/19/32/366591932.db2.gz CQNGSPKVHVBCHW-GHMZBOCLSA-N 1 3 240.351 -0.770 20 0 BBADHO CC[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000578528492 366591874 /nfs/dbraw/zinc/59/18/74/366591874.db2.gz CQNGSPKVHVBCHW-WDEREUQCSA-N 1 3 240.351 -0.770 20 0 BBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000578530077 366591679 /nfs/dbraw/zinc/59/16/79/366591679.db2.gz QKDCIDUXLFHEFR-BDAKNGLRSA-N 1 3 245.323 -0.634 20 0 BBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000578530078 366592011 /nfs/dbraw/zinc/59/20/11/366592011.db2.gz QKDCIDUXLFHEFR-DTWKUNHWSA-N 1 3 245.323 -0.634 20 0 BBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000578530079 366592371 /nfs/dbraw/zinc/59/23/71/366592371.db2.gz QKDCIDUXLFHEFR-IUCAKERBSA-N 1 3 245.323 -0.634 20 0 BBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000578530080 366591947 /nfs/dbraw/zinc/59/19/47/366591947.db2.gz QKDCIDUXLFHEFR-RKDXNWHRSA-N 1 3 245.323 -0.634 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000578535061 366594261 /nfs/dbraw/zinc/59/42/61/366594261.db2.gz AMZGOGDUKCFLCU-FOGDFJRCSA-N 1 3 223.320 -0.051 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000578535062 366594106 /nfs/dbraw/zinc/59/41/06/366594106.db2.gz AMZGOGDUKCFLCU-SCVCMEIPSA-N 1 3 223.320 -0.051 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)CNC[C@H]1CCCO1 ZINC000578624800 366611732 /nfs/dbraw/zinc/61/17/32/366611732.db2.gz ULWMLOQGOHHFOE-GHMZBOCLSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)CNC[C@H]1CCCO1 ZINC000578624801 366611285 /nfs/dbraw/zinc/61/12/85/366611285.db2.gz ULWMLOQGOHHFOE-MNOVXSKESA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)CNC[C@@H]1CCCO1 ZINC000578624802 366611774 /nfs/dbraw/zinc/61/17/74/366611774.db2.gz ULWMLOQGOHHFOE-QWRGUYRKSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)CNC[C@@H]1CCCO1 ZINC000578624803 366610970 /nfs/dbraw/zinc/61/09/70/366610970.db2.gz ULWMLOQGOHHFOE-WDEREUQCSA-N 1 3 243.351 -0.146 20 0 BBADHO COC[C@]1(CNC(=O)[C@@H](N)C(C)C)CCC[NH2+]1 ZINC000578625191 366611185 /nfs/dbraw/zinc/61/11/85/366611185.db2.gz AJHBATHONWJHBU-CMPLNLGQSA-N 1 3 243.351 -0.146 20 0 BBADHO COC[C@@]1(CNC(=O)[C@@H](N)C(C)C)CCC[NH2+]1 ZINC000578625192 366611026 /nfs/dbraw/zinc/61/10/26/366611026.db2.gz AJHBATHONWJHBU-JQWIXIFHSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578625707 366611614 /nfs/dbraw/zinc/61/16/14/366611614.db2.gz HMNYHHVBLPTAFC-LLVKDONJSA-N 1 3 243.351 -0.179 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578625708 366611081 /nfs/dbraw/zinc/61/10/81/366611081.db2.gz HMNYHHVBLPTAFC-NSHDSACASA-N 1 3 243.351 -0.179 20 0 BBADHO O=C(COC1CNC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000578747046 366636425 /nfs/dbraw/zinc/63/64/25/366636425.db2.gz BBPRKYPJQJHHAV-JTQLQIEISA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(COC1CNC1)NCCC[C@H]1CCC[NH2+]1 ZINC000578747047 366636543 /nfs/dbraw/zinc/63/65/43/366636543.db2.gz BBPRKYPJQJHHAV-SNVBAGLBSA-N 1 3 241.335 -0.377 20 0 BBADHO CNC[C@@](C)(O)C[NH+]1CCC(CO)CC1 ZINC000578765909 366643865 /nfs/dbraw/zinc/64/38/65/366643865.db2.gz SCVYQNHYSSLGQO-LLVKDONJSA-N 1 3 216.325 -0.339 20 0 BBADHO CNC[C@](C)(O)C[NH+]1CCC(CO)CC1 ZINC000578765910 366643464 /nfs/dbraw/zinc/64/34/64/366643464.db2.gz SCVYQNHYSSLGQO-NSHDSACASA-N 1 3 216.325 -0.339 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000578768402 366639460 /nfs/dbraw/zinc/63/94/60/366639460.db2.gz ZHCAXJRYAXQAJU-GHMZBOCLSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000578768403 366639805 /nfs/dbraw/zinc/63/98/05/366639805.db2.gz ZHCAXJRYAXQAJU-MNOVXSKESA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CCC[NH2+]C1 ZINC000578768404 366639190 /nfs/dbraw/zinc/63/91/90/366639190.db2.gz ZHCAXJRYAXQAJU-QWRGUYRKSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CCC[NH2+]C1 ZINC000578768405 366639583 /nfs/dbraw/zinc/63/95/83/366639583.db2.gz ZHCAXJRYAXQAJU-WDEREUQCSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NCCC[NH2+]C1CC1 ZINC000578870799 366663378 /nfs/dbraw/zinc/66/33/78/366663378.db2.gz RWMMGHWYEHOONI-LLVKDONJSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(C[C@H]1CNCCO1)NCCC[NH2+]C1CC1 ZINC000578870800 366663441 /nfs/dbraw/zinc/66/34/41/366663441.db2.gz RWMMGHWYEHOONI-NSHDSACASA-N 1 3 241.335 -0.377 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000578879922 366665835 /nfs/dbraw/zinc/66/58/35/366665835.db2.gz VUJMEGXBRLPLCL-NXEZZACHSA-N 1 3 229.324 -0.310 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000578879923 366666577 /nfs/dbraw/zinc/66/65/77/366666577.db2.gz VUJMEGXBRLPLCL-UWVGGRQHSA-N 1 3 229.324 -0.310 20 0 BBADHO CO[C@H](CN)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000578879924 366666457 /nfs/dbraw/zinc/66/64/57/366666457.db2.gz VUJMEGXBRLPLCL-VHSXEESVSA-N 1 3 229.324 -0.310 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000578879925 366666473 /nfs/dbraw/zinc/66/64/73/366666473.db2.gz VUJMEGXBRLPLCL-ZJUUUORDSA-N 1 3 229.324 -0.310 20 0 BBADHO CC[NH2+]CCCNC(=O)CNC[C@H]1CCCO1 ZINC000578889609 366668504 /nfs/dbraw/zinc/66/85/04/366668504.db2.gz TXXBGMDKJLQNTH-LLVKDONJSA-N 1 3 243.351 -0.129 20 0 BBADHO CC[NH2+]CCCNC(=O)CNC[C@@H]1CCCO1 ZINC000578889610 366669271 /nfs/dbraw/zinc/66/92/71/366669271.db2.gz TXXBGMDKJLQNTH-NSHDSACASA-N 1 3 243.351 -0.129 20 0 BBADHO C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN1CCOC ZINC000578905287 366672088 /nfs/dbraw/zinc/67/20/88/366672088.db2.gz AUAZGTKLDNPMOF-QWRGUYRKSA-N 1 3 243.351 -0.179 20 0 BBADHO C[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1CCOC ZINC000578905288 366672901 /nfs/dbraw/zinc/67/29/01/366672901.db2.gz AUAZGTKLDNPMOF-WDEREUQCSA-N 1 3 243.351 -0.179 20 0 BBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579002408 366692457 /nfs/dbraw/zinc/69/24/57/366692457.db2.gz NYYKEDWKOFMBRI-QWRGUYRKSA-N 1 3 243.351 -0.539 20 0 BBADHO O=C(C[C@H]1CNCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579006137 366694327 /nfs/dbraw/zinc/69/43/27/366694327.db2.gz SBZUQBANNPEVBX-AXFHLTTASA-N 1 3 239.319 -0.957 20 0 BBADHO O=C(C[C@@H]1CNCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579006138 366694902 /nfs/dbraw/zinc/69/49/02/366694902.db2.gz SBZUQBANNPEVBX-OUAUKWLOSA-N 1 3 239.319 -0.957 20 0 BBADHO NC(C(=O)NCC1=CC[NH2+]CC1)C(F)(F)F ZINC000579121078 366716522 /nfs/dbraw/zinc/71/65/22/366716522.db2.gz FBBPLCZVAISUDF-SSDOTTSWSA-N 1 3 237.225 -0.088 20 0 BBADHO NC(C(=O)NCC1=CC[NH2+]CC1)C(F)(F)F ZINC000579121079 366706653 /nfs/dbraw/zinc/70/66/53/366706653.db2.gz FBBPLCZVAISUDF-ZETCQYMHSA-N 1 3 237.225 -0.088 20 0 BBADHO N[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000579121323 366716532 /nfs/dbraw/zinc/71/65/32/366716532.db2.gz WDBHBLPWFKUEDH-MNOVXSKESA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CNCCO2)C1 ZINC000579128824 366720994 /nfs/dbraw/zinc/72/09/94/366720994.db2.gz RSXHFTCSNGNYGD-GMTAPVOTSA-N 1 3 213.325 -0.166 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CNCCO2)C1 ZINC000579128825 366720124 /nfs/dbraw/zinc/72/01/24/366720124.db2.gz RSXHFTCSNGNYGD-MXWKQRLJSA-N 1 3 213.325 -0.166 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CNCCO2)C1 ZINC000579128826 366720772 /nfs/dbraw/zinc/72/07/72/366720772.db2.gz RSXHFTCSNGNYGD-OUAUKWLOSA-N 1 3 213.325 -0.166 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CNCCO2)C1 ZINC000579128827 366720953 /nfs/dbraw/zinc/72/09/53/366720953.db2.gz RSXHFTCSNGNYGD-VWYCJHECSA-N 1 3 213.325 -0.166 20 0 BBADHO O=C(CCOC1CNC1)NCC1CC[NH2+]CC1 ZINC000579221977 366737017 /nfs/dbraw/zinc/73/70/17/366737017.db2.gz OPSQYGIQQSXYQQ-UHFFFAOYSA-N 1 3 241.335 -0.519 20 0 BBADHO C[NH2+][C@@H](C)C(=O)NCCN(C)CCCOC ZINC000579251921 366748209 /nfs/dbraw/zinc/74/82/09/366748209.db2.gz NJPCYJJVWCKINQ-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000579254573 366747995 /nfs/dbraw/zinc/74/79/95/366747995.db2.gz OAPFMFHJAVWZIO-CMPLNLGQSA-N 1 3 243.351 -0.504 20 0 BBADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000579254573 366747990 /nfs/dbraw/zinc/74/79/90/366747990.db2.gz OAPFMFHJAVWZIO-CMPLNLGQSA-N 1 3 243.351 -0.504 20 0 BBADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@](C)(C(N)=O)C1 ZINC000579254574 366750439 /nfs/dbraw/zinc/75/04/39/366750439.db2.gz OAPFMFHJAVWZIO-JQWIXIFHSA-N 1 3 243.351 -0.504 20 0 BBADHO CC[N@H+](C)C[C@H](O)CN1CC[C@](C)(C(N)=O)C1 ZINC000579254574 366750436 /nfs/dbraw/zinc/75/04/36/366750436.db2.gz OAPFMFHJAVWZIO-JQWIXIFHSA-N 1 3 243.351 -0.504 20 0 BBADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@](C)(C(N)=O)C1 ZINC000579254575 344949003 /nfs/dbraw/zinc/94/90/03/344949003.db2.gz OAPFMFHJAVWZIO-PWSUYJOCSA-N 1 3 243.351 -0.504 20 0 BBADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@](C)(C(N)=O)C1 ZINC000579254575 344949002 /nfs/dbraw/zinc/94/90/02/344949002.db2.gz OAPFMFHJAVWZIO-PWSUYJOCSA-N 1 3 243.351 -0.504 20 0 BBADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000579254576 344948943 /nfs/dbraw/zinc/94/89/43/344948943.db2.gz OAPFMFHJAVWZIO-ZYHUDNBSSA-N 1 3 243.351 -0.504 20 0 BBADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000579254576 344948941 /nfs/dbraw/zinc/94/89/41/344948941.db2.gz OAPFMFHJAVWZIO-ZYHUDNBSSA-N 1 3 243.351 -0.504 20 0 BBADHO CO[C@H](CN)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000579350937 366765604 /nfs/dbraw/zinc/76/56/04/366765604.db2.gz AFEYJBKNGXKBON-NXEZZACHSA-N 1 3 231.340 -0.208 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000579350938 366766271 /nfs/dbraw/zinc/76/62/71/366766271.db2.gz AFEYJBKNGXKBON-UWVGGRQHSA-N 1 3 231.340 -0.208 20 0 BBADHO CO[C@H](CN)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000579350939 366765293 /nfs/dbraw/zinc/76/52/93/366765293.db2.gz AFEYJBKNGXKBON-VHSXEESVSA-N 1 3 231.340 -0.208 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000579350940 366766200 /nfs/dbraw/zinc/76/62/00/366766200.db2.gz AFEYJBKNGXKBON-ZJUUUORDSA-N 1 3 231.340 -0.208 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000579353008 366767441 /nfs/dbraw/zinc/76/74/41/366767441.db2.gz PKUFJYHJCUMVBS-LLVKDONJSA-N 1 3 242.367 -0.654 20 0 BBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000579353010 366766770 /nfs/dbraw/zinc/76/67/70/366766770.db2.gz PKUFJYHJCUMVBS-NSHDSACASA-N 1 3 242.367 -0.654 20 0 BBADHO CCS(=O)(=O)NCCCNCC(C)(C)[NH3+] ZINC000579353368 344952357 /nfs/dbraw/zinc/95/23/57/344952357.db2.gz AAPBOWMFMBQMNL-UHFFFAOYSA-N 1 3 237.369 -0.357 20 0 BBADHO O=C(CCOC1CNC1)NCC[C@@H]1CC[NH2+]C1 ZINC000579471364 366819695 /nfs/dbraw/zinc/81/96/95/366819695.db2.gz WCPJBLSJRRNNGG-JTQLQIEISA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(CCOC1CNC1)NCC[C@H]1CC[NH2+]C1 ZINC000579471365 366819687 /nfs/dbraw/zinc/81/96/87/366819687.db2.gz WCPJBLSJRRNNGG-SNVBAGLBSA-N 1 3 241.335 -0.519 20 0 BBADHO CCN(CC)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000579472775 366820806 /nfs/dbraw/zinc/82/08/06/366820806.db2.gz NWXLZBBFRYOSBC-LLVKDONJSA-N 1 3 242.367 -0.652 20 0 BBADHO CCN(CC)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000579472776 366821196 /nfs/dbraw/zinc/82/11/96/366821196.db2.gz NWXLZBBFRYOSBC-NSHDSACASA-N 1 3 242.367 -0.652 20 0 BBADHO COCCNCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000579591055 366895971 /nfs/dbraw/zinc/89/59/71/366895971.db2.gz CMOQWEUWHOYONX-ZYHUDNBSSA-N 1 3 243.351 -0.334 20 0 BBADHO CN1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000579614627 366910618 /nfs/dbraw/zinc/91/06/18/366910618.db2.gz IXWZZAROEWGVTQ-VWYCJHECSA-N 1 3 238.335 -0.306 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000579703546 366984348 /nfs/dbraw/zinc/98/43/48/366984348.db2.gz NBTWBRDHQFZAAD-GARJFASQSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000579703546 366984343 /nfs/dbraw/zinc/98/43/43/366984343.db2.gz NBTWBRDHQFZAAD-GARJFASQSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000579703548 366984293 /nfs/dbraw/zinc/98/42/93/366984293.db2.gz NBTWBRDHQFZAAD-GMTAPVOTSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000579703548 366984289 /nfs/dbraw/zinc/98/42/89/366984289.db2.gz NBTWBRDHQFZAAD-GMTAPVOTSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000579703549 366984127 /nfs/dbraw/zinc/98/41/27/366984127.db2.gz NBTWBRDHQFZAAD-HBNTYKKESA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000579703549 366984122 /nfs/dbraw/zinc/98/41/22/366984122.db2.gz NBTWBRDHQFZAAD-HBNTYKKESA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000579703551 366984053 /nfs/dbraw/zinc/98/40/53/366984053.db2.gz NBTWBRDHQFZAAD-OUAUKWLOSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@H](CN)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000579703551 366984047 /nfs/dbraw/zinc/98/40/47/366984047.db2.gz NBTWBRDHQFZAAD-OUAUKWLOSA-N 1 3 243.351 -0.241 20 0 BBADHO NC(C(=O)NC[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000579708506 366980095 /nfs/dbraw/zinc/98/00/95/366980095.db2.gz KDIBDUOQUJLZPU-BQBZGAKWSA-N 1 3 239.241 -0.008 20 0 BBADHO NC(C(=O)NC[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000579708516 366979600 /nfs/dbraw/zinc/97/96/00/366979600.db2.gz KDIBDUOQUJLZPU-NKWVEPMBSA-N 1 3 239.241 -0.008 20 0 BBADHO NC(C(=O)NC[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000579708517 366980069 /nfs/dbraw/zinc/98/00/69/366980069.db2.gz KDIBDUOQUJLZPU-RNFRBKRXSA-N 1 3 239.241 -0.008 20 0 BBADHO NC(C(=O)NC[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000579708519 366980438 /nfs/dbraw/zinc/98/04/38/366980438.db2.gz KDIBDUOQUJLZPU-RQJHMYQMSA-N 1 3 239.241 -0.008 20 0 BBADHO O=C(COC1CNC1)NC[C@@H]1CCC[NH2+]C1 ZINC000579709102 366986869 /nfs/dbraw/zinc/98/68/69/366986869.db2.gz SDLXSXGMEDDKBT-SECBINFHSA-N 1 3 227.308 -0.909 20 0 BBADHO O=C(COC1CNC1)NC[C@H]1CCC[NH2+]C1 ZINC000579709104 366986886 /nfs/dbraw/zinc/98/68/86/366986886.db2.gz SDLXSXGMEDDKBT-VIFPVBQESA-N 1 3 227.308 -0.909 20 0 BBADHO C[C@@H](C[NH3+])N(C)CCC(=O)N1CCNCC1 ZINC000579712983 366989064 /nfs/dbraw/zinc/98/90/64/366989064.db2.gz QUNCEDWRBCOGCN-JTQLQIEISA-N 1 3 228.340 -0.913 20 0 BBADHO C[C@H](C[NH3+])N(C)CCC(=O)N1CCNCC1 ZINC000579712984 366989238 /nfs/dbraw/zinc/98/92/38/366989238.db2.gz QUNCEDWRBCOGCN-SNVBAGLBSA-N 1 3 228.340 -0.913 20 0 BBADHO CN(CCOCC[NH3+])C1(C(N)=O)CCCC1 ZINC000579714726 366989333 /nfs/dbraw/zinc/98/93/33/366989333.db2.gz QOKVEMAZNASQSF-UHFFFAOYSA-N 1 3 229.324 -0.308 20 0 BBADHO [NH3+]C[C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000579830674 367036913 /nfs/dbraw/zinc/03/69/13/367036913.db2.gz IASXQPKBWQXPBV-SECBINFHSA-N 1 3 227.308 -0.828 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000579830675 367036428 /nfs/dbraw/zinc/03/64/28/367036428.db2.gz IASXQPKBWQXPBV-VIFPVBQESA-N 1 3 227.308 -0.828 20 0 BBADHO CN(C)CCN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000579861926 367058089 /nfs/dbraw/zinc/05/80/89/367058089.db2.gz YWGGVAXNRHIYHG-VIFPVBQESA-N 1 3 214.313 -0.449 20 0 BBADHO COC[C@]1(CNC(=O)C2(N)CCC2)CCC[NH2+]1 ZINC000579950856 367098220 /nfs/dbraw/zinc/09/82/20/367098220.db2.gz YFIQVHKPCBJLHG-LLVKDONJSA-N 1 3 241.335 -0.247 20 0 BBADHO COC[C@@]1(CNC(=O)C2(N)CCC2)CCC[NH2+]1 ZINC000579950857 367098284 /nfs/dbraw/zinc/09/82/84/367098284.db2.gz YFIQVHKPCBJLHG-NSHDSACASA-N 1 3 241.335 -0.247 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)C[C@H]1CN ZINC000579954753 367100840 /nfs/dbraw/zinc/10/08/40/367100840.db2.gz TVGICTNVAUVNAM-AXFHLTTASA-N 1 3 240.351 -0.914 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)C[C@@H]1CN ZINC000579954754 367101095 /nfs/dbraw/zinc/10/10/95/367101095.db2.gz TVGICTNVAUVNAM-DCAQKATOSA-N 1 3 240.351 -0.914 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)C[C@@H]1CN ZINC000579954755 367100813 /nfs/dbraw/zinc/10/08/13/367100813.db2.gz TVGICTNVAUVNAM-GARJFASQSA-N 1 3 240.351 -0.914 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)C[C@H]1CN ZINC000579954756 367101231 /nfs/dbraw/zinc/10/12/31/367101231.db2.gz TVGICTNVAUVNAM-HBNTYKKESA-N 1 3 240.351 -0.914 20 0 BBADHO CO[C@@H]1CCN(C(=O)CNC2CC2)[C@@H](C[NH3+])C1 ZINC000580063386 346505647 /nfs/dbraw/zinc/50/56/47/346505647.db2.gz RIXJXOXVAVHEEH-GHMZBOCLSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H]1CCN(C(=O)CNC2CC2)[C@@H](C[NH3+])C1 ZINC000580063387 346505587 /nfs/dbraw/zinc/50/55/87/346505587.db2.gz RIXJXOXVAVHEEH-MNOVXSKESA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@H]1CCN(C(=O)CNC2CC2)[C@H](C[NH3+])C1 ZINC000580063388 346505780 /nfs/dbraw/zinc/50/57/80/346505780.db2.gz RIXJXOXVAVHEEH-QWRGUYRKSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@@H]1CCN(C(=O)CNC2CC2)[C@H](C[NH3+])C1 ZINC000580063389 346505544 /nfs/dbraw/zinc/50/55/44/346505544.db2.gz RIXJXOXVAVHEEH-WDEREUQCSA-N 1 3 241.335 -0.297 20 0 BBADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCC[C@H]1O)C1CC1 ZINC000580074678 346511026 /nfs/dbraw/zinc/51/10/26/346511026.db2.gz DJZXTAWNUHSTAQ-QJPTWQEYSA-N 1 3 228.336 -0.056 20 0 BBADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCC[C@H]1O)C1CC1 ZINC000580074678 346511025 /nfs/dbraw/zinc/51/10/25/346511025.db2.gz DJZXTAWNUHSTAQ-QJPTWQEYSA-N 1 3 228.336 -0.056 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580183982 346628805 /nfs/dbraw/zinc/62/88/05/346628805.db2.gz NHELSPRMNWKCPV-IVZWLZJFSA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580183983 346628913 /nfs/dbraw/zinc/62/89/13/346628913.db2.gz NHELSPRMNWKCPV-KXUCPTDWSA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580183984 346629046 /nfs/dbraw/zinc/62/90/46/346629046.db2.gz NHELSPRMNWKCPV-LPEHRKFASA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580183985 346629878 /nfs/dbraw/zinc/62/98/78/346629878.db2.gz NHELSPRMNWKCPV-OPRDCNLKSA-N 1 3 229.324 -0.536 20 0 BBADHO C[C@@H]([NH3+])C1CCN([C@@H]2CCNC2=O)CC1 ZINC000580193175 346647019 /nfs/dbraw/zinc/64/70/19/346647019.db2.gz LKLJIXYNEUQPTD-PSASIEDQSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]([NH3+])C1CCN([C@H]2CCNC2=O)CC1 ZINC000580193176 346646979 /nfs/dbraw/zinc/64/69/79/346646979.db2.gz LKLJIXYNEUQPTD-SCZZXKLOSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]([NH3+])C1CCN([C@@H]2CCNC2=O)CC1 ZINC000580193177 346647398 /nfs/dbraw/zinc/64/73/98/346647398.db2.gz LKLJIXYNEUQPTD-WCBMZHEXSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]([NH3+])C1CCN([C@H]2CCNC2=O)CC1 ZINC000580193178 346647403 /nfs/dbraw/zinc/64/74/03/346647403.db2.gz LKLJIXYNEUQPTD-WPRPVWTQSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+][C@@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000580211455 346684913 /nfs/dbraw/zinc/68/49/13/346684913.db2.gz WYSBYPAVNSOEEE-BQBZGAKWSA-N 1 3 221.251 -0.292 20 0 BBADHO C[NH2+][C@@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000580211456 346685313 /nfs/dbraw/zinc/68/53/13/346685313.db2.gz WYSBYPAVNSOEEE-NKWVEPMBSA-N 1 3 221.251 -0.292 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000580314365 346897006 /nfs/dbraw/zinc/89/70/06/346897006.db2.gz OLTWTCFTPNAPGD-CHWFTXMASA-N 1 3 243.351 -0.208 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000580314366 346896759 /nfs/dbraw/zinc/89/67/59/346896759.db2.gz OLTWTCFTPNAPGD-VPOLOUISSA-N 1 3 243.351 -0.208 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000580314367 346897196 /nfs/dbraw/zinc/89/71/96/346897196.db2.gz OLTWTCFTPNAPGD-XWLWVQCSSA-N 1 3 243.351 -0.208 20 0 BBADHO CO[C@H](CN)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000580314368 346896790 /nfs/dbraw/zinc/89/67/90/346896790.db2.gz OLTWTCFTPNAPGD-ZRUFSTJUSA-N 1 3 243.351 -0.208 20 0 BBADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCCNCC1 ZINC000580324152 347039405 /nfs/dbraw/zinc/03/94/05/347039405.db2.gz CZOFVJXPNORBSB-CMPLNLGQSA-N 1 3 223.320 -0.192 20 0 BBADHO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCCNCC1 ZINC000580324153 347039312 /nfs/dbraw/zinc/03/93/12/347039312.db2.gz CZOFVJXPNORBSB-JQWIXIFHSA-N 1 3 223.320 -0.192 20 0 BBADHO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCCNCC1 ZINC000580324154 347039388 /nfs/dbraw/zinc/03/93/88/347039388.db2.gz CZOFVJXPNORBSB-PWSUYJOCSA-N 1 3 223.320 -0.192 20 0 BBADHO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCCNCC1 ZINC000580324155 347039149 /nfs/dbraw/zinc/03/91/49/347039149.db2.gz CZOFVJXPNORBSB-ZYHUDNBSSA-N 1 3 223.320 -0.192 20 0 BBADHO CN(CC[NH3+])C(=O)CNC[C@H]1CCCO1 ZINC000580324675 347046168 /nfs/dbraw/zinc/04/61/68/347046168.db2.gz BDYHYMUFIKNOPN-SECBINFHSA-N 1 3 215.297 -0.828 20 0 BBADHO CN(CC[NH3+])C(=O)CNC[C@@H]1CCCO1 ZINC000580324676 347046172 /nfs/dbraw/zinc/04/61/72/347046172.db2.gz BDYHYMUFIKNOPN-VIFPVBQESA-N 1 3 215.297 -0.828 20 0 BBADHO C[NH2+]CCCC(=O)NC[C@H]1CNCCO1 ZINC000580324962 347067868 /nfs/dbraw/zinc/06/78/68/347067868.db2.gz KDNAEIHNDCRGRK-SECBINFHSA-N 1 3 215.297 -0.909 20 0 BBADHO C[NH2+]CCCC(=O)NC[C@@H]1CNCCO1 ZINC000580324963 347067702 /nfs/dbraw/zinc/06/77/02/347067702.db2.gz KDNAEIHNDCRGRK-VIFPVBQESA-N 1 3 215.297 -0.909 20 0 BBADHO NCC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000580552168 365759011 /nfs/dbraw/zinc/75/90/11/365759011.db2.gz VLCKHZVLSOYNNZ-UHFFFAOYSA-N 1 3 222.292 -0.364 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000580552416 365758837 /nfs/dbraw/zinc/75/88/37/365758837.db2.gz UTRHQYNWVSDIAC-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000580552417 365758772 /nfs/dbraw/zinc/75/87/72/365758772.db2.gz UTRHQYNWVSDIAC-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000580552418 365758444 /nfs/dbraw/zinc/75/84/44/365758444.db2.gz UTRHQYNWVSDIAC-QWRGUYRKSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000580552419 365758482 /nfs/dbraw/zinc/75/84/82/365758482.db2.gz UTRHQYNWVSDIAC-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO CCN1CCN(CCNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000580582691 365793719 /nfs/dbraw/zinc/79/37/19/365793719.db2.gz QEQKTZUPHUGKPN-NSHDSACASA-N 1 3 242.367 -0.652 20 0 BBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000580645761 365841903 /nfs/dbraw/zinc/84/19/03/365841903.db2.gz XOCGMUVEYRRXMH-PSASIEDQSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)CNC2CC2)C1 ZINC000580645762 365841413 /nfs/dbraw/zinc/84/14/13/365841413.db2.gz XOCGMUVEYRRXMH-SCZZXKLOSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000580645763 365841722 /nfs/dbraw/zinc/84/17/22/365841722.db2.gz XOCGMUVEYRRXMH-WCBMZHEXSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)CNC2CC2)C1 ZINC000580645764 365841343 /nfs/dbraw/zinc/84/13/43/365841343.db2.gz XOCGMUVEYRRXMH-WPRPVWTQSA-N 1 3 211.309 -0.018 20 0 BBADHO O=C(CCOC1CNC1)NCC[C@H]1CCC[NH2+]1 ZINC000580709301 367146044 /nfs/dbraw/zinc/14/60/44/367146044.db2.gz NHBUMBZYFJSNDG-SNVBAGLBSA-N 1 3 241.335 -0.377 20 0 BBADHO CC(C)[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000580713170 367148157 /nfs/dbraw/zinc/14/81/57/367148157.db2.gz TYSYXVKKRPBIFC-LLVKDONJSA-N 1 3 242.367 -0.619 20 0 BBADHO CC(C)(CCC[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000580775155 367162706 /nfs/dbraw/zinc/16/27/06/367162706.db2.gz PWVNZAUAXXPKDM-JTQLQIEISA-N 1 3 243.351 -0.001 20 0 BBADHO CC(C)(CCC[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000580775156 367163003 /nfs/dbraw/zinc/16/30/03/367163003.db2.gz PWVNZAUAXXPKDM-SNVBAGLBSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@@H](CNC(=O)COC1CNC1)[NH+]1CCCC1 ZINC000580891233 367198691 /nfs/dbraw/zinc/19/86/91/367198691.db2.gz HXUQRSCGWRGAKC-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@H](CNC(=O)COC1CNC1)[NH+]1CCCC1 ZINC000580891238 367198855 /nfs/dbraw/zinc/19/88/55/367198855.db2.gz HXUQRSCGWRGAKC-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000580953112 367215696 /nfs/dbraw/zinc/21/56/96/367215696.db2.gz UMRSXRCYEINEPM-MNOVXSKESA-N 1 3 240.351 -0.852 20 0 BBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCCN1 ZINC000580953113 367215497 /nfs/dbraw/zinc/21/54/97/367215497.db2.gz UMRSXRCYEINEPM-QWRGUYRKSA-N 1 3 240.351 -0.852 20 0 BBADHO [NH3+]CC1(CC(=O)NC[C@H]2CNCCO2)CC1 ZINC000581006471 367231609 /nfs/dbraw/zinc/23/16/09/367231609.db2.gz AGYWDKRHEYVSLA-SECBINFHSA-N 1 3 227.308 -0.780 20 0 BBADHO [NH3+]CC1(CC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000581006473 367231469 /nfs/dbraw/zinc/23/14/69/367231469.db2.gz AGYWDKRHEYVSLA-VIFPVBQESA-N 1 3 227.308 -0.780 20 0 BBADHO COCCNCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000581010025 367233963 /nfs/dbraw/zinc/23/39/63/367233963.db2.gz SWLLJZJMAYHBBO-GFCCVEGCSA-N 1 3 241.335 -0.566 20 0 BBADHO COCCNCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000581010026 367234315 /nfs/dbraw/zinc/23/43/15/367234315.db2.gz SWLLJZJMAYHBBO-LBPRGKRZSA-N 1 3 241.335 -0.566 20 0 BBADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581011723 367234469 /nfs/dbraw/zinc/23/44/69/367234469.db2.gz VMGAWEKADMWPLP-MXWKQRLJSA-N 1 3 239.319 -0.815 20 0 BBADHO O=C(C[C@H]1CNCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581011724 367234007 /nfs/dbraw/zinc/23/40/07/367234007.db2.gz VMGAWEKADMWPLP-VWYCJHECSA-N 1 3 239.319 -0.815 20 0 BBADHO CCN1CCC(NC(=O)CN(C)CC[NH3+])CC1 ZINC000581014175 367235677 /nfs/dbraw/zinc/23/56/77/367235677.db2.gz QUNFFWRVWQJIJX-UHFFFAOYSA-N 1 3 242.367 -0.523 20 0 BBADHO [NH3+]Cc1ccc(C(=O)NC[C@H]2CNCCO2)cc1 ZINC000581131325 367272247 /nfs/dbraw/zinc/27/22/47/367272247.db2.gz OXNFULPFHZEUMZ-GFCCVEGCSA-N 1 3 249.314 -0.137 20 0 BBADHO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000581131326 367272010 /nfs/dbraw/zinc/27/20/10/367272010.db2.gz OXNFULPFHZEUMZ-LBPRGKRZSA-N 1 3 249.314 -0.137 20 0 BBADHO COCCC[NH+]1CCC(NCCC(N)=O)CC1 ZINC000581186300 367286913 /nfs/dbraw/zinc/28/69/13/367286913.db2.gz PVPDSYDEGMSODV-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000581251918 367309139 /nfs/dbraw/zinc/30/91/39/367309139.db2.gz FNKXLGBGDPQPNN-AEJSXWLSSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000581251919 367308848 /nfs/dbraw/zinc/30/88/48/367308848.db2.gz FNKXLGBGDPQPNN-GUBZILKMSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000581251920 367309455 /nfs/dbraw/zinc/30/94/55/367309455.db2.gz FNKXLGBGDPQPNN-IVZWLZJFSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000581251921 367309791 /nfs/dbraw/zinc/30/97/91/367309791.db2.gz FNKXLGBGDPQPNN-LPEHRKFASA-N 1 3 229.324 -0.393 20 0 BBADHO O=C(COC1CNC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000581309362 367336574 /nfs/dbraw/zinc/33/65/74/367336574.db2.gz NUCFDICRXODHPX-JTQLQIEISA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(COC1CNC1)NCC[C@H]1CCC[NH2+]C1 ZINC000581309363 367336092 /nfs/dbraw/zinc/33/60/92/367336092.db2.gz NUCFDICRXODHPX-SNVBAGLBSA-N 1 3 241.335 -0.519 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CCC(=O)OC ZINC000581309818 350673635 /nfs/dbraw/zinc/67/36/35/350673635.db2.gz SGKRJVBFDPBABA-BDAKNGLRSA-N 1 3 245.323 -0.619 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)CCC(=O)OC ZINC000581309819 350673598 /nfs/dbraw/zinc/67/35/98/350673598.db2.gz SGKRJVBFDPBABA-RKDXNWHRSA-N 1 3 245.323 -0.619 20 0 BBADHO CC(C)(C)[NH2+]CCNC(=O)CCOC1CNC1 ZINC000581368265 367399061 /nfs/dbraw/zinc/39/90/61/367399061.db2.gz XFYMEKOIWUABDY-UHFFFAOYSA-N 1 3 243.351 -0.131 20 0 BBADHO O=C(CCOC1CNC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581369178 367402265 /nfs/dbraw/zinc/40/22/65/367402265.db2.gz JCSDKCPEMZTNEV-KOLCDFICSA-N 1 3 239.319 -0.815 20 0 BBADHO COCCNCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000581427788 346908563 /nfs/dbraw/zinc/90/85/63/346908563.db2.gz MHDHOTYPRCIDJD-NXEZZACHSA-N 1 3 246.355 -0.353 20 0 BBADHO COCCNCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000581427789 346908515 /nfs/dbraw/zinc/90/85/15/346908515.db2.gz MHDHOTYPRCIDJD-UWVGGRQHSA-N 1 3 246.355 -0.353 20 0 BBADHO COCCNCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000581427790 346908448 /nfs/dbraw/zinc/90/84/48/346908448.db2.gz MHDHOTYPRCIDJD-VHSXEESVSA-N 1 3 246.355 -0.353 20 0 BBADHO COCCNCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000581427791 346908249 /nfs/dbraw/zinc/90/82/49/346908249.db2.gz MHDHOTYPRCIDJD-ZJUUUORDSA-N 1 3 246.355 -0.353 20 0 BBADHO CC[C@H](N)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000581428684 367466591 /nfs/dbraw/zinc/46/65/91/367466591.db2.gz XYIKCCLMUYOWGQ-JTQLQIEISA-N 1 3 243.351 -0.144 20 0 BBADHO CO[C@H](CN)C(=O)NCC[NH2+]C(C)(C)C ZINC000581486770 367517827 /nfs/dbraw/zinc/51/78/27/367517827.db2.gz BHCVBULJLVGZQR-MRVPVSSYSA-N 1 3 217.313 -0.536 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[NH2+]C(C)(C)C ZINC000581486771 367517864 /nfs/dbraw/zinc/51/78/64/367517864.db2.gz BHCVBULJLVGZQR-QMMMGPOBSA-N 1 3 217.313 -0.536 20 0 BBADHO CCCN(C(=O)[C@@H](CN)OC)C1CC[NH2+]CC1 ZINC000581487879 367519081 /nfs/dbraw/zinc/51/90/81/367519081.db2.gz VKHCMKIYGGUQCV-LLVKDONJSA-N 1 3 243.351 -0.049 20 0 BBADHO CCCN(C(=O)[C@H](CN)OC)C1CC[NH2+]CC1 ZINC000581487880 367519437 /nfs/dbraw/zinc/51/94/37/367519437.db2.gz VKHCMKIYGGUQCV-NSHDSACASA-N 1 3 243.351 -0.049 20 0 BBADHO NC1(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000581549307 367578681 /nfs/dbraw/zinc/57/86/81/367578681.db2.gz KLUQGBXTACBUGN-RXMQYKEDSA-N 1 3 207.224 -0.424 20 0 BBADHO NC1(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000581549308 367578228 /nfs/dbraw/zinc/57/82/28/367578228.db2.gz KLUQGBXTACBUGN-YFKPBYRVSA-N 1 3 207.224 -0.424 20 0 BBADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CCCC1 ZINC000581606355 367630017 /nfs/dbraw/zinc/63/00/17/367630017.db2.gz GJJULONQCJGOEV-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CCCC1 ZINC000581606356 367630348 /nfs/dbraw/zinc/63/03/48/367630348.db2.gz GJJULONQCJGOEV-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)(N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000581724916 367789080 /nfs/dbraw/zinc/78/90/80/367789080.db2.gz HJHMCVMGWUHABM-UHFFFAOYSA-N 1 3 228.340 -0.865 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000581725816 367789311 /nfs/dbraw/zinc/78/93/11/367789311.db2.gz IZDVBUBJOFWYOO-AXFHLTTASA-N 1 3 241.335 -0.521 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000581725817 367789160 /nfs/dbraw/zinc/78/91/60/367789160.db2.gz IZDVBUBJOFWYOO-DCAQKATOSA-N 1 3 241.335 -0.521 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000581725818 367789048 /nfs/dbraw/zinc/78/90/48/367789048.db2.gz IZDVBUBJOFWYOO-MXWKQRLJSA-N 1 3 241.335 -0.521 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000581725819 367789910 /nfs/dbraw/zinc/78/99/10/367789910.db2.gz IZDVBUBJOFWYOO-VWYCJHECSA-N 1 3 241.335 -0.521 20 0 BBADHO COCCNCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581823266 367831057 /nfs/dbraw/zinc/83/10/57/367831057.db2.gz WHCODRFNMQJYEB-GHMZBOCLSA-N 1 3 243.351 -0.273 20 0 BBADHO COCCNCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581823267 367831472 /nfs/dbraw/zinc/83/14/72/367831472.db2.gz WHCODRFNMQJYEB-MNOVXSKESA-N 1 3 243.351 -0.273 20 0 BBADHO COCCNCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581823268 367831582 /nfs/dbraw/zinc/83/15/82/367831582.db2.gz WHCODRFNMQJYEB-QWRGUYRKSA-N 1 3 243.351 -0.273 20 0 BBADHO COCCNCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581823269 367830846 /nfs/dbraw/zinc/83/08/46/367830846.db2.gz WHCODRFNMQJYEB-WDEREUQCSA-N 1 3 243.351 -0.273 20 0 BBADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CCC[NH2+]1 ZINC000581879221 367865919 /nfs/dbraw/zinc/86/59/19/367865919.db2.gz YLIRGYVKNGXXAI-GHMZBOCLSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CCC[NH2+]1 ZINC000581879222 367866014 /nfs/dbraw/zinc/86/60/14/367866014.db2.gz YLIRGYVKNGXXAI-MNOVXSKESA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CCC[NH2+]1 ZINC000581879223 367866026 /nfs/dbraw/zinc/86/60/26/367866026.db2.gz YLIRGYVKNGXXAI-QWRGUYRKSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CNC[C@H]1CCCO1)NC[C@@H]1CCC[NH2+]1 ZINC000581879224 367865877 /nfs/dbraw/zinc/86/58/77/367865877.db2.gz YLIRGYVKNGXXAI-WDEREUQCSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(C[NH2+]CC1CC1)NC[C@@H]1CNCCO1 ZINC000581883526 367873776 /nfs/dbraw/zinc/87/37/76/367873776.db2.gz LBQWEWRNHNWESU-JTQLQIEISA-N 1 3 227.308 -0.909 20 0 BBADHO O=C(C[NH2+]CC1CC1)NC[C@H]1CNCCO1 ZINC000581883527 367873996 /nfs/dbraw/zinc/87/39/96/367873996.db2.gz LBQWEWRNHNWESU-SNVBAGLBSA-N 1 3 227.308 -0.909 20 0 BBADHO [NH3+]Cc1ccc(CNC(=O)COC2CNC2)cc1 ZINC000581885766 367876982 /nfs/dbraw/zinc/87/69/82/367876982.db2.gz KBKNEVYPSCJEID-UHFFFAOYSA-N 1 3 249.314 -0.250 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000581938413 367965496 /nfs/dbraw/zinc/96/54/96/367965496.db2.gz XFJVZORQQXDRAU-BDAKNGLRSA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000581938414 367965854 /nfs/dbraw/zinc/96/58/54/367965854.db2.gz XFJVZORQQXDRAU-DTWKUNHWSA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000581938415 367966017 /nfs/dbraw/zinc/96/60/17/367966017.db2.gz XFJVZORQQXDRAU-IUCAKERBSA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000581938416 367965691 /nfs/dbraw/zinc/96/56/91/367965691.db2.gz XFJVZORQQXDRAU-RKDXNWHRSA-N 1 3 229.324 -0.536 20 0 BBADHO CC1(NC(=O)COC2CNC2)CC[NH2+]CC1 ZINC000581944728 367973092 /nfs/dbraw/zinc/97/30/92/367973092.db2.gz HLXBUZLHBDFCME-UHFFFAOYSA-N 1 3 227.308 -0.767 20 0 BBADHO C[NH+](C)[C@@H]1CCN(C(=O)COC2CNC2)C1 ZINC000582000677 368108035 /nfs/dbraw/zinc/10/80/35/368108035.db2.gz XCEITACZOSDOJE-SECBINFHSA-N 1 3 227.308 -0.863 20 0 BBADHO C[NH+](C)[C@H]1CCN(C(=O)COC2CNC2)C1 ZINC000582000678 368107923 /nfs/dbraw/zinc/10/79/23/368107923.db2.gz XCEITACZOSDOJE-VIFPVBQESA-N 1 3 227.308 -0.863 20 0 BBADHO NC1(C(=O)NCCNc2cc[nH+]cc2)CCC1 ZINC000582001030 368112028 /nfs/dbraw/zinc/11/20/28/368112028.db2.gz RSMJKGIAQCVCCM-UHFFFAOYSA-N 1 3 234.303 -0.087 20 0 BBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000582064140 347158469 /nfs/dbraw/zinc/15/84/69/347158469.db2.gz WFOLHCNJLNMBNH-NXEZZACHSA-N 1 3 242.367 -0.620 20 0 BBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000582064141 347158573 /nfs/dbraw/zinc/15/85/73/347158573.db2.gz WFOLHCNJLNMBNH-VHSXEESVSA-N 1 3 242.367 -0.620 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NCCN1CC[C@@H](C)C1 ZINC000582125225 344734588 /nfs/dbraw/zinc/73/45/88/344734588.db2.gz KHWMFEVUIQKWKC-GHMZBOCLSA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NCCN1CC[C@@H](C)C1 ZINC000582125226 344734599 /nfs/dbraw/zinc/73/45/99/344734599.db2.gz KHWMFEVUIQKWKC-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NCCN1CC[C@H](C)C1 ZINC000582125227 344734463 /nfs/dbraw/zinc/73/44/63/344734463.db2.gz KHWMFEVUIQKWKC-QWRGUYRKSA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NCCN1CC[C@H](C)C1 ZINC000582125228 344734678 /nfs/dbraw/zinc/73/46/78/344734678.db2.gz KHWMFEVUIQKWKC-WDEREUQCSA-N 1 3 243.351 -0.192 20 0 BBADHO [NH3+]C[C@H](NC(=O)CCOC1CNC1)C1CC1 ZINC000582176059 386938196 /nfs/dbraw/zinc/93/81/96/386938196.db2.gz ZJNBDPNNCSTMOU-JTQLQIEISA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+]C[C@@H](NC(=O)CCOC1CNC1)C1CC1 ZINC000582176060 386937869 /nfs/dbraw/zinc/93/78/69/386937869.db2.gz ZJNBDPNNCSTMOU-SNVBAGLBSA-N 1 3 227.308 -0.782 20 0 BBADHO CN1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@H](CN)C1 ZINC000582179909 355618554 /nfs/dbraw/zinc/61/85/54/355618554.db2.gz HDPGPRHRBGJSII-GHMZBOCLSA-N 1 3 240.351 -0.770 20 0 BBADHO CN1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H](CN)C1 ZINC000582179910 355618881 /nfs/dbraw/zinc/61/88/81/355618881.db2.gz HDPGPRHRBGJSII-MNOVXSKESA-N 1 3 240.351 -0.770 20 0 BBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000582240350 356670988 /nfs/dbraw/zinc/67/09/88/356670988.db2.gz HLFNHQNTGCRJAX-LLVKDONJSA-N 1 3 243.351 -0.096 20 0 BBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000582240351 356671159 /nfs/dbraw/zinc/67/11/59/356671159.db2.gz HLFNHQNTGCRJAX-NSHDSACASA-N 1 3 243.351 -0.096 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582303964 357041830 /nfs/dbraw/zinc/04/18/30/357041830.db2.gz VIZZBQLTXDVSTM-AXFHLTTASA-N 1 3 241.335 -0.439 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582303965 357041449 /nfs/dbraw/zinc/04/14/49/357041449.db2.gz VIZZBQLTXDVSTM-OUAUKWLOSA-N 1 3 241.335 -0.439 20 0 BBADHO COCCN(CCN(C)C)C(=O)CC[NH3+] ZINC000582361122 357105215 /nfs/dbraw/zinc/10/52/15/357105215.db2.gz MDNVULRNMKHZAH-UHFFFAOYSA-N 1 3 217.313 -0.628 20 0 BBADHO CN1CC=C(CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000582371673 357114945 /nfs/dbraw/zinc/11/49/45/357114945.db2.gz HVIFBVDUFFVBNQ-NSHDSACASA-N 1 3 238.335 -0.091 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000582371820 357115234 /nfs/dbraw/zinc/11/52/34/357115234.db2.gz NJTLXRNCTKNUJW-IUCAKERBSA-N 1 3 214.313 -0.402 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000582415233 357141073 /nfs/dbraw/zinc/14/10/73/357141073.db2.gz HZCJIKDJIPOATK-AXTSPUMRSA-N 1 3 229.324 -0.537 20 0 BBADHO CO[C@H](CN)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000582415234 357141030 /nfs/dbraw/zinc/14/10/30/357141030.db2.gz HZCJIKDJIPOATK-SGIHWFKDSA-N 1 3 229.324 -0.537 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000582415235 357140364 /nfs/dbraw/zinc/14/03/64/357140364.db2.gz HZCJIKDJIPOATK-UTINFBMNSA-N 1 3 229.324 -0.537 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000582415236 357141066 /nfs/dbraw/zinc/14/10/66/357141066.db2.gz HZCJIKDJIPOATK-ZYUZMQFOSA-N 1 3 229.324 -0.537 20 0 BBADHO CN1CCN(C(=O)C2CC[NH2+]CC2)[C@H](CN)C1 ZINC000582485864 357317411 /nfs/dbraw/zinc/31/74/11/357317411.db2.gz RWKYGUJLLYEFOB-LLVKDONJSA-N 1 3 240.351 -0.913 20 0 BBADHO CN1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000582485865 357317576 /nfs/dbraw/zinc/31/75/76/357317576.db2.gz RWKYGUJLLYEFOB-NSHDSACASA-N 1 3 240.351 -0.913 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NCC[C@H]1CCC[NH2+]1 ZINC000582485947 357317853 /nfs/dbraw/zinc/31/78/53/357317853.db2.gz YDKPLDCGNQDRHS-GHMZBOCLSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(C[C@H]1CNCCO1)NCC[C@H]1CCC[NH2+]1 ZINC000582485948 357317615 /nfs/dbraw/zinc/31/76/15/357317615.db2.gz YDKPLDCGNQDRHS-MNOVXSKESA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(COC1CNC1)NCC[C@H]1CCC[NH2+]1 ZINC000582545378 357330578 /nfs/dbraw/zinc/33/05/78/357330578.db2.gz DPTVPZWRVCHRFY-SECBINFHSA-N 1 3 227.308 -0.767 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC(=O)COC1CNC1 ZINC000582547915 357332836 /nfs/dbraw/zinc/33/28/36/357332836.db2.gz PKMFQHGQCRKBJE-SECBINFHSA-N 1 3 227.308 -0.769 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)COC1CNC1 ZINC000582547917 357332563 /nfs/dbraw/zinc/33/25/63/357332563.db2.gz PKMFQHGQCRKBJE-VIFPVBQESA-N 1 3 227.308 -0.769 20 0 BBADHO CN[C@@H](C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000582617289 357354403 /nfs/dbraw/zinc/35/44/03/357354403.db2.gz PYHVQDXHUXRXDB-JTQLQIEISA-N 1 3 243.351 -0.273 20 0 BBADHO O=C(COC1CNC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582663948 357357256 /nfs/dbraw/zinc/35/72/56/357357256.db2.gz PKDRWFXPUNDNJO-NXEZZACHSA-N 1 3 239.319 -0.957 20 0 BBADHO O=C(COC1CNC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582663949 357356982 /nfs/dbraw/zinc/35/69/82/357356982.db2.gz PKDRWFXPUNDNJO-UWVGGRQHSA-N 1 3 239.319 -0.957 20 0 BBADHO O=C(COC1CNC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582663950 357356816 /nfs/dbraw/zinc/35/68/16/357356816.db2.gz PKDRWFXPUNDNJO-VHSXEESVSA-N 1 3 239.319 -0.957 20 0 BBADHO O=C(COC1CNC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582663951 357356728 /nfs/dbraw/zinc/35/67/28/357356728.db2.gz PKDRWFXPUNDNJO-ZJUUUORDSA-N 1 3 239.319 -0.957 20 0 BBADHO O=C(CCOC1CNC1)NC[C@H]1CCC[NH2+]C1 ZINC000582720399 357370737 /nfs/dbraw/zinc/37/07/37/357370737.db2.gz XSNHBKRZWBTWCI-JTQLQIEISA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(CCOC1CNC1)NC[C@@H]1CCC[NH2+]C1 ZINC000582720400 357370791 /nfs/dbraw/zinc/37/07/91/357370791.db2.gz XSNHBKRZWBTWCI-SNVBAGLBSA-N 1 3 241.335 -0.519 20 0 BBADHO CC(C)(CCC[NH3+])NC(=O)CCOC1CNC1 ZINC000582720417 357370554 /nfs/dbraw/zinc/37/05/54/357370554.db2.gz ZLFKQSSMXRXITJ-UHFFFAOYSA-N 1 3 243.351 -0.001 20 0 BBADHO COCCNCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000582724648 357372755 /nfs/dbraw/zinc/37/27/55/357372755.db2.gz KFIGKLZPDMRORE-LLVKDONJSA-N 1 3 243.351 -0.272 20 0 BBADHO COCCNCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000582724649 357372201 /nfs/dbraw/zinc/37/22/01/357372201.db2.gz KFIGKLZPDMRORE-NSHDSACASA-N 1 3 243.351 -0.272 20 0 BBADHO [NH3+]CC1(NC(=O)COC2CNC2)CCCC1 ZINC000582726922 357373382 /nfs/dbraw/zinc/37/33/82/357373382.db2.gz RJENDVBITKRDST-UHFFFAOYSA-N 1 3 227.308 -0.638 20 0 BBADHO C[C@](C[NH3+])(NC(=O)COC1CNC1)C1CC1 ZINC000582726986 357373353 /nfs/dbraw/zinc/37/33/53/357373353.db2.gz ZLMCVASYMAVMTR-LLVKDONJSA-N 1 3 227.308 -0.782 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)COC1CNC1)C1CC1 ZINC000582726987 357373395 /nfs/dbraw/zinc/37/33/95/357373395.db2.gz ZLMCVASYMAVMTR-NSHDSACASA-N 1 3 227.308 -0.782 20 0 BBADHO CO[C@@H](CN)C(=O)NCCNc1cc[nH+]cc1 ZINC000582782668 357390290 /nfs/dbraw/zinc/39/02/90/357390290.db2.gz JETLYUYEOJDTEK-JTQLQIEISA-N 1 3 238.291 -0.995 20 0 BBADHO CO[C@H](CN)C(=O)NCCNc1cc[nH+]cc1 ZINC000582782669 357390798 /nfs/dbraw/zinc/39/07/98/357390798.db2.gz JETLYUYEOJDTEK-SNVBAGLBSA-N 1 3 238.291 -0.995 20 0 BBADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)COCC(C)C ZINC000582845919 357409876 /nfs/dbraw/zinc/40/98/76/357409876.db2.gz PZYPFZDESYBSOI-GHMZBOCLSA-N 1 3 234.340 -0.810 20 0 BBADHO CNC[C@@H](O)C[NH2+]C[C@H](O)COCC(C)C ZINC000582845920 357409934 /nfs/dbraw/zinc/40/99/34/357409934.db2.gz PZYPFZDESYBSOI-MNOVXSKESA-N 1 3 234.340 -0.810 20 0 BBADHO CNC[C@H](O)C[NH2+]C[C@H](O)COCC(C)C ZINC000582845921 357410042 /nfs/dbraw/zinc/41/00/42/357410042.db2.gz PZYPFZDESYBSOI-QWRGUYRKSA-N 1 3 234.340 -0.810 20 0 BBADHO CNC[C@H](O)C[NH2+]C[C@@H](O)COCC(C)C ZINC000582845922 357410076 /nfs/dbraw/zinc/41/00/76/357410076.db2.gz PZYPFZDESYBSOI-WDEREUQCSA-N 1 3 234.340 -0.810 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(N)CCC1 ZINC000582903934 357427482 /nfs/dbraw/zinc/42/74/82/357427482.db2.gz SMROREMHXYSUNK-BDAKNGLRSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(N)CCC1 ZINC000582903935 357427426 /nfs/dbraw/zinc/42/74/26/357427426.db2.gz SMROREMHXYSUNK-DTWKUNHWSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(N)CCC1 ZINC000582903936 357427256 /nfs/dbraw/zinc/42/72/56/357427256.db2.gz SMROREMHXYSUNK-IUCAKERBSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(N)CCC1 ZINC000582903937 357427233 /nfs/dbraw/zinc/42/72/33/357427233.db2.gz SMROREMHXYSUNK-RKDXNWHRSA-N 1 3 211.309 -0.018 20 0 BBADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1CCC[NH2+]C1 ZINC000582904014 357426969 /nfs/dbraw/zinc/42/69/69/357426969.db2.gz TUUWVHRPCAXZFC-NXEZZACHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(C[C@H]1CNCCO1)N[C@@H]1CCC[NH2+]C1 ZINC000582904017 357427188 /nfs/dbraw/zinc/42/71/88/357427188.db2.gz TUUWVHRPCAXZFC-ZJUUUORDSA-N 1 3 227.308 -0.767 20 0 BBADHO C[NH2+]CC1CCN(C(=O)CNCCOC)CC1 ZINC000583023459 357452565 /nfs/dbraw/zinc/45/25/65/357452565.db2.gz SFECWIKZDCYMRR-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO COC[C@]1(CNC(=O)C(C)(C)N)CCC[NH2+]1 ZINC000583023972 357452641 /nfs/dbraw/zinc/45/26/41/357452641.db2.gz YWNSWWLINJFONI-LLVKDONJSA-N 1 3 229.324 -0.392 20 0 BBADHO COC[C@@]1(CNC(=O)C(C)(C)N)CCC[NH2+]1 ZINC000583023973 357452487 /nfs/dbraw/zinc/45/24/87/357452487.db2.gz YWNSWWLINJFONI-NSHDSACASA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000583024093 357452398 /nfs/dbraw/zinc/45/23/98/357452398.db2.gz HJNJDWXLHXTYPE-CIUDSAMLSA-N 1 3 231.365 -0.067 20 0 BBADHO C[C@@H](NC(=O)C[C@@H]1CSCCN1)[C@H](C)[NH3+] ZINC000583024094 357452518 /nfs/dbraw/zinc/45/25/18/357452518.db2.gz HJNJDWXLHXTYPE-DJLDLDEBSA-N 1 3 231.365 -0.067 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000583024095 357452321 /nfs/dbraw/zinc/45/23/21/357452321.db2.gz HJNJDWXLHXTYPE-XHNCKOQMSA-N 1 3 231.365 -0.067 20 0 BBADHO C[C@@H](NC(=O)C[C@H]1CSCCN1)[C@H](C)[NH3+] ZINC000583024096 357452390 /nfs/dbraw/zinc/45/23/90/357452390.db2.gz HJNJDWXLHXTYPE-YIZRAAEISA-N 1 3 231.365 -0.067 20 0 BBADHO CN[C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000583093030 357478500 /nfs/dbraw/zinc/47/85/00/357478500.db2.gz DHDVPDOKTVESIG-NTSWFWBYSA-N 1 3 209.240 -0.307 20 0 BBADHO CN[C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000583093034 357478441 /nfs/dbraw/zinc/47/84/41/357478441.db2.gz DHDVPDOKTVESIG-WDSKDSINSA-N 1 3 209.240 -0.307 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)CNC[C@@H]1CCCO1 ZINC000583143024 357493225 /nfs/dbraw/zinc/49/32/25/357493225.db2.gz SRBJHLGXVYBMMD-UWVGGRQHSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)CNC[C@H]1CCCO1 ZINC000583143025 357493204 /nfs/dbraw/zinc/49/32/04/357493204.db2.gz SRBJHLGXVYBMMD-VHSXEESVSA-N 1 3 229.324 -0.392 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000583145553 357494423 /nfs/dbraw/zinc/49/44/23/357494423.db2.gz LJUOUGCGCMDVTN-NXEZZACHSA-N 1 3 227.308 -0.687 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000583145554 357494696 /nfs/dbraw/zinc/49/46/96/357494696.db2.gz LJUOUGCGCMDVTN-UWVGGRQHSA-N 1 3 227.308 -0.687 20 0 BBADHO CO[C@H](CN)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000583145555 357494495 /nfs/dbraw/zinc/49/44/95/357494495.db2.gz LJUOUGCGCMDVTN-VHSXEESVSA-N 1 3 227.308 -0.687 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000583145556 357494911 /nfs/dbraw/zinc/49/49/11/357494911.db2.gz LJUOUGCGCMDVTN-ZJUUUORDSA-N 1 3 227.308 -0.687 20 0 BBADHO [NH3+]CC[C@@H](NC(=O)CNC1CC1)C(F)F ZINC000583262536 357750395 /nfs/dbraw/zinc/75/03/95/357750395.db2.gz KCHRHBQCZBDTJP-SSDOTTSWSA-N 1 3 221.251 -0.163 20 0 BBADHO [NH3+]CC[C@H](NC(=O)CNC1CC1)C(F)F ZINC000583262537 357751042 /nfs/dbraw/zinc/75/10/42/357751042.db2.gz KCHRHBQCZBDTJP-ZETCQYMHSA-N 1 3 221.251 -0.163 20 0 BBADHO C[NH2+]CCCN(C)C(=O)CNC[C@H]1CCCO1 ZINC000583262754 357750991 /nfs/dbraw/zinc/75/09/91/357750991.db2.gz QLYZRPCWMPBHIG-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH2+]CCCN(C)C(=O)CNC[C@@H]1CCCO1 ZINC000583262755 357750638 /nfs/dbraw/zinc/75/06/38/357750638.db2.gz QLYZRPCWMPBHIG-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO C[N@@H+](C[C@@H](O)CN[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000583317491 357900391 /nfs/dbraw/zinc/90/03/91/357900391.db2.gz KWDLFLVTKMNEPM-NNYUYHANSA-N 1 3 226.320 -0.324 20 0 BBADHO C[N@H+](C[C@@H](O)CN[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000583317491 357900384 /nfs/dbraw/zinc/90/03/84/357900384.db2.gz KWDLFLVTKMNEPM-NNYUYHANSA-N 1 3 226.320 -0.324 20 0 BBADHO C[N@@H+](C[C@H](O)CN[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000583317492 357900476 /nfs/dbraw/zinc/90/04/76/357900476.db2.gz KWDLFLVTKMNEPM-WYUUTHIRSA-N 1 3 226.320 -0.324 20 0 BBADHO C[N@H+](C[C@H](O)CN[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000583317492 357900470 /nfs/dbraw/zinc/90/04/70/357900470.db2.gz KWDLFLVTKMNEPM-WYUUTHIRSA-N 1 3 226.320 -0.324 20 0 BBADHO COCCN(C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000583324604 357905439 /nfs/dbraw/zinc/90/54/39/357905439.db2.gz BBGHKBIYZXWMDH-PWSUYJOCSA-N 1 3 241.335 -0.567 20 0 BBADHO CN(C)CCNC(=O)COC1CCC([NH3+])CC1 ZINC000583379531 344856841 /nfs/dbraw/zinc/85/68/41/344856841.db2.gz APARDCWSLIVSAS-UHFFFAOYSA-N 1 3 243.351 -0.049 20 0 BBADHO CCN(C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000583443087 344972312 /nfs/dbraw/zinc/97/23/12/344972312.db2.gz XJTIKNCKUXZHBK-KOLCDFICSA-N 1 3 211.309 -0.194 20 0 BBADHO O=C([C@H]1C[C@H](F)CN1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000583498474 355332719 /nfs/dbraw/zinc/33/27/19/355332719.db2.gz WNPQNHMZQQQYDQ-CHWFTXMASA-N 1 3 241.310 -0.246 20 0 BBADHO O=C([C@H]1C[C@H](F)CN1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000583498475 355332616 /nfs/dbraw/zinc/33/26/16/355332616.db2.gz WNPQNHMZQQQYDQ-VPOLOUISSA-N 1 3 241.310 -0.246 20 0 BBADHO O=C([C@H]1C[C@H](F)CN1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000583498476 355332706 /nfs/dbraw/zinc/33/27/06/355332706.db2.gz WNPQNHMZQQQYDQ-XWLWVQCSSA-N 1 3 241.310 -0.246 20 0 BBADHO O=C([C@H]1C[C@H](F)CN1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000583498477 355332263 /nfs/dbraw/zinc/33/22/63/355332263.db2.gz WNPQNHMZQQQYDQ-ZRUFSTJUSA-N 1 3 241.310 -0.246 20 0 BBADHO CCCN(C)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000583498883 355332388 /nfs/dbraw/zinc/33/23/88/355332388.db2.gz BDTMAEOBKYIWDK-LLVKDONJSA-N 1 3 242.367 -0.652 20 0 BBADHO CCCN(C)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000583498884 355332625 /nfs/dbraw/zinc/33/26/25/355332625.db2.gz BDTMAEOBKYIWDK-NSHDSACASA-N 1 3 242.367 -0.652 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000583688047 357120227 /nfs/dbraw/zinc/12/02/27/357120227.db2.gz FFRDNQSNUSQIAJ-IVZWLZJFSA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000583688048 357120207 /nfs/dbraw/zinc/12/02/07/357120207.db2.gz FFRDNQSNUSQIAJ-KXUCPTDWSA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000583688049 357120230 /nfs/dbraw/zinc/12/02/30/357120230.db2.gz FFRDNQSNUSQIAJ-LPEHRKFASA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@H](CN)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583688050 357119945 /nfs/dbraw/zinc/11/99/45/357119945.db2.gz FFRDNQSNUSQIAJ-OPRDCNLKSA-N 1 3 229.324 -0.406 20 0 BBADHO C[C@@]1(C(=O)NC[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000583688578 357120216 /nfs/dbraw/zinc/12/02/16/357120216.db2.gz PZAXIBWWRCZMIX-GXSJLCMTSA-N 1 3 227.308 -0.909 20 0 BBADHO C[C@]1(C(=O)NC[C@H]2CNCCO2)CC[NH2+]C1 ZINC000583688579 357119886 /nfs/dbraw/zinc/11/98/86/357119886.db2.gz PZAXIBWWRCZMIX-KOLCDFICSA-N 1 3 227.308 -0.909 20 0 BBADHO C[C@@]1(C(=O)NC[C@H]2CNCCO2)CC[NH2+]C1 ZINC000583688580 357120190 /nfs/dbraw/zinc/12/01/90/357120190.db2.gz PZAXIBWWRCZMIX-MWLCHTKSSA-N 1 3 227.308 -0.909 20 0 BBADHO C[C@]1(C(=O)NC[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000583688581 357120015 /nfs/dbraw/zinc/12/00/15/357120015.db2.gz PZAXIBWWRCZMIX-ONGXEEELSA-N 1 3 227.308 -0.909 20 0 BBADHO [NH3+]CC1(C(=O)NC[C@@H]2CNCCO2)CCCC1 ZINC000583807143 357955164 /nfs/dbraw/zinc/95/51/64/357955164.db2.gz WQFDCTHHSUMKRE-JTQLQIEISA-N 1 3 241.335 -0.390 20 0 BBADHO [NH3+]CC1(C(=O)NC[C@H]2CNCCO2)CCCC1 ZINC000583807144 357954811 /nfs/dbraw/zinc/95/48/11/357954811.db2.gz WQFDCTHHSUMKRE-SNVBAGLBSA-N 1 3 241.335 -0.390 20 0 BBADHO [NH3+]CCC(=O)NCCNc1ccncc1 ZINC000583810151 357955536 /nfs/dbraw/zinc/95/55/36/357955536.db2.gz YCEGRVDKLBLEHQ-UHFFFAOYSA-N 1 3 208.265 -0.620 20 0 BBADHO COCCNCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583811659 357957115 /nfs/dbraw/zinc/95/71/15/357957115.db2.gz OOKYNYZYKIMEOB-GHMZBOCLSA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000583811660 357956796 /nfs/dbraw/zinc/95/67/96/357956796.db2.gz OOKYNYZYKIMEOB-MNOVXSKESA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000583811661 357956713 /nfs/dbraw/zinc/95/67/13/357956713.db2.gz OOKYNYZYKIMEOB-QWRGUYRKSA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000583811662 357956971 /nfs/dbraw/zinc/95/69/71/357956971.db2.gz OOKYNYZYKIMEOB-WDEREUQCSA-N 1 3 243.351 -0.144 20 0 BBADHO [NH3+]CCC1CCN([C@H]2CCNC2=O)CC1 ZINC000583817463 357961397 /nfs/dbraw/zinc/96/13/97/357961397.db2.gz NBGCKPZTSIPGML-JTQLQIEISA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]CCC1CCN([C@@H]2CCNC2=O)CC1 ZINC000583817464 357961036 /nfs/dbraw/zinc/96/10/36/357961036.db2.gz NBGCKPZTSIPGML-SNVBAGLBSA-N 1 3 211.309 -0.064 20 0 BBADHO C[C@]1(F)CNCCN(CCOCC[NH3+])C1 ZINC000583935088 342728314 /nfs/dbraw/zinc/72/83/14/342728314.db2.gz OKCAQAFXTQDOGJ-JTQLQIEISA-N 1 3 219.304 -0.405 20 0 BBADHO C[C@@]1(F)CNCCN(CCOCC[NH3+])C1 ZINC000583935089 342728371 /nfs/dbraw/zinc/72/83/71/342728371.db2.gz OKCAQAFXTQDOGJ-SNVBAGLBSA-N 1 3 219.304 -0.405 20 0 BBADHO CSCC[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000584052589 343307414 /nfs/dbraw/zinc/30/74/14/343307414.db2.gz TUYVMSJTRCYBHF-KXUCPTDWSA-N 1 3 243.376 -0.255 20 0 BBADHO N[C@@H](C(=O)NCCN1CC[NH2+]CC1)C1CCC1 ZINC000584112589 343697839 /nfs/dbraw/zinc/69/78/39/343697839.db2.gz WQZJAYBUDYSOIG-LLVKDONJSA-N 1 3 240.351 -0.865 20 0 BBADHO N[C@H](C(=O)NCCN1CC[NH2+]CC1)C1CCC1 ZINC000584112590 343697767 /nfs/dbraw/zinc/69/77/67/343697767.db2.gz WQZJAYBUDYSOIG-NSHDSACASA-N 1 3 240.351 -0.865 20 0 BBADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCCN1 ZINC000584114206 343759074 /nfs/dbraw/zinc/75/90/74/343759074.db2.gz MFSDZLAQHLPONW-MNOVXSKESA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCCN1 ZINC000584114207 343759094 /nfs/dbraw/zinc/75/90/94/343759094.db2.gz MFSDZLAQHLPONW-QWRGUYRKSA-N 1 3 241.335 -0.377 20 0 BBADHO C[C@](C[NH3+])(NC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000584114233 343759041 /nfs/dbraw/zinc/75/90/41/343759041.db2.gz NOQQHDTXJWTIPU-CMPLNLGQSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000584114234 343759090 /nfs/dbraw/zinc/75/90/90/343759090.db2.gz NOQQHDTXJWTIPU-JQWIXIFHSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000584114235 343758849 /nfs/dbraw/zinc/75/88/49/343758849.db2.gz NOQQHDTXJWTIPU-PWSUYJOCSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@](C[NH3+])(NC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000584114236 343758992 /nfs/dbraw/zinc/75/89/92/343758992.db2.gz NOQQHDTXJWTIPU-ZYHUDNBSSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CNCCO1 ZINC000584172060 343768718 /nfs/dbraw/zinc/76/87/18/343768718.db2.gz VNCGJJHBUTWCHY-BDAKNGLRSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CNCCO1 ZINC000584172061 343768755 /nfs/dbraw/zinc/76/87/55/343768755.db2.gz VNCGJJHBUTWCHY-DTWKUNHWSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CNCCO1 ZINC000584172062 343768709 /nfs/dbraw/zinc/76/87/09/343768709.db2.gz VNCGJJHBUTWCHY-IUCAKERBSA-N 1 3 215.297 -0.782 20 0 BBADHO C[C@@H]([NH3+])CCC(=O)NC[C@H]1CNCCO1 ZINC000584172063 343768720 /nfs/dbraw/zinc/76/87/20/343768720.db2.gz VNCGJJHBUTWCHY-RKDXNWHRSA-N 1 3 215.297 -0.782 20 0 BBADHO O=C(CCOC1CNC1)NC[C@H]1CCC[NH2+]1 ZINC000584226413 343774763 /nfs/dbraw/zinc/77/47/63/343774763.db2.gz ASFLJTNSYGESBI-SECBINFHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(CCOC1CNC1)NC[C@@H]1CCC[NH2+]1 ZINC000584226414 343774998 /nfs/dbraw/zinc/77/49/98/343774998.db2.gz ASFLJTNSYGESBI-VIFPVBQESA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)N1CCN2CCC1CC2 ZINC000584243485 384327247 /nfs/dbraw/zinc/32/72/47/384327247.db2.gz DXYSXNPCPLRAMI-JTQLQIEISA-N 1 3 238.335 -0.162 20 0 BBADHO CN(C)CCOCCNC(=O)N(C)CCC[NH3+] ZINC000584302966 344440697 /nfs/dbraw/zinc/44/06/97/344440697.db2.gz STVULEGNGQWSKG-UHFFFAOYSA-N 1 3 246.355 -0.445 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)CNC[C@H]1CCCO1 ZINC000584412048 357914966 /nfs/dbraw/zinc/91/49/66/357914966.db2.gz UBFILVZLFGQGLB-NXEZZACHSA-N 1 3 229.324 -0.392 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)CNC[C@@H]1CCCO1 ZINC000584412052 357914804 /nfs/dbraw/zinc/91/48/04/357914804.db2.gz UBFILVZLFGQGLB-UWVGGRQHSA-N 1 3 229.324 -0.392 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)CNC[C@H]1CCCO1 ZINC000584412055 357914642 /nfs/dbraw/zinc/91/46/42/357914642.db2.gz UBFILVZLFGQGLB-VHSXEESVSA-N 1 3 229.324 -0.392 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)CNC[C@@H]1CCCO1 ZINC000584412057 357915101 /nfs/dbraw/zinc/91/51/01/357915101.db2.gz UBFILVZLFGQGLB-ZJUUUORDSA-N 1 3 229.324 -0.392 20 0 BBADHO CC(C)(C)[NH2+]CCNC(=O)C[C@H]1CNCCO1 ZINC000584467760 357993136 /nfs/dbraw/zinc/99/31/36/357993136.db2.gz GSJZJHPWZMNMHY-JTQLQIEISA-N 1 3 243.351 -0.131 20 0 BBADHO CC(C)(C)[NH2+]CCNC(=O)C[C@@H]1CNCCO1 ZINC000584467761 357993621 /nfs/dbraw/zinc/99/36/21/357993621.db2.gz GSJZJHPWZMNMHY-SNVBAGLBSA-N 1 3 243.351 -0.131 20 0 BBADHO [NH3+]CC[C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000584468893 357987778 /nfs/dbraw/zinc/98/77/78/357987778.db2.gz XYHDVOGLQSMRQB-JTQLQIEISA-N 1 3 241.335 -0.438 20 0 BBADHO [NH3+]CC[C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000584468894 357988061 /nfs/dbraw/zinc/98/80/61/357988061.db2.gz XYHDVOGLQSMRQB-SNVBAGLBSA-N 1 3 241.335 -0.438 20 0 BBADHO COCCNCC(=O)NCC1CC[NH2+]CC1 ZINC000584528806 358041854 /nfs/dbraw/zinc/04/18/54/358041854.db2.gz WPISPFRTMWHYMB-UHFFFAOYSA-N 1 3 229.324 -0.662 20 0 BBADHO COCCNCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000584530736 358042966 /nfs/dbraw/zinc/04/29/66/358042966.db2.gz GLAMBAMCCHUZHL-NSHDSACASA-N 1 3 229.324 -0.519 20 0 BBADHO CN1CCC[C@H]1CC[NH2+]C(CO)CO ZINC000584538231 358048506 /nfs/dbraw/zinc/04/85/06/358048506.db2.gz JWBTWSVOBVXBKZ-JTQLQIEISA-N 1 3 202.298 -0.587 20 0 BBADHO CN1CCC[C@@H]1CC[NH2+]C(CO)CO ZINC000584538232 358049188 /nfs/dbraw/zinc/04/91/88/358049188.db2.gz JWBTWSVOBVXBKZ-SNVBAGLBSA-N 1 3 202.298 -0.587 20 0 BBADHO CN[C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000584664991 358123674 /nfs/dbraw/zinc/12/36/74/358123674.db2.gz WWKBTUXDCHYYOF-LPEHRKFASA-N 1 3 211.309 -0.195 20 0 BBADHO O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1C[C@H](F)CN1 ZINC000584779538 358176267 /nfs/dbraw/zinc/17/62/67/358176267.db2.gz QXOUHKQZQWDWLQ-IVZWLZJFSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@@H]1C[C@@H](NCCC(=O)NC(N)=O)CC[N@H+]1C ZINC000591744271 347695118 /nfs/dbraw/zinc/69/51/18/347695118.db2.gz MKLSBVZDETWVBD-BDAKNGLRSA-N 1 3 242.323 -0.356 20 0 BBADHO C[C@@H]1C[C@@H](NCCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000591744271 347695115 /nfs/dbraw/zinc/69/51/15/347695115.db2.gz MKLSBVZDETWVBD-BDAKNGLRSA-N 1 3 242.323 -0.356 20 0 BBADHO C[C@H]1C[C@H](NCCC(=O)NC(N)=O)CC[N@H+]1C ZINC000591744272 347695509 /nfs/dbraw/zinc/69/55/09/347695509.db2.gz MKLSBVZDETWVBD-DTWKUNHWSA-N 1 3 242.323 -0.356 20 0 BBADHO C[C@H]1C[C@H](NCCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000591744272 347695507 /nfs/dbraw/zinc/69/55/07/347695507.db2.gz MKLSBVZDETWVBD-DTWKUNHWSA-N 1 3 242.323 -0.356 20 0 BBADHO C[C@H]1C[C@@H](NCCC(=O)NC(N)=O)CC[N@H+]1C ZINC000591744273 347695566 /nfs/dbraw/zinc/69/55/66/347695566.db2.gz MKLSBVZDETWVBD-IUCAKERBSA-N 1 3 242.323 -0.356 20 0 BBADHO C[C@H]1C[C@@H](NCCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000591744273 347695563 /nfs/dbraw/zinc/69/55/63/347695563.db2.gz MKLSBVZDETWVBD-IUCAKERBSA-N 1 3 242.323 -0.356 20 0 BBADHO C[C@@H]1C[C@H](NCCC(=O)NC(N)=O)CC[N@H+]1C ZINC000591744274 347695432 /nfs/dbraw/zinc/69/54/32/347695432.db2.gz MKLSBVZDETWVBD-RKDXNWHRSA-N 1 3 242.323 -0.356 20 0 BBADHO C[C@@H]1C[C@H](NCCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000591744274 347695429 /nfs/dbraw/zinc/69/54/29/347695429.db2.gz MKLSBVZDETWVBD-RKDXNWHRSA-N 1 3 242.323 -0.356 20 0 BBADHO CSCC[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000592337293 347768447 /nfs/dbraw/zinc/76/84/47/347768447.db2.gz DHBMQVDBRIGZOQ-XHNCKOQMSA-N 1 3 249.355 -0.117 20 0 BBADHO COC(=O)[C@H]1CNCCCN1CCC[NH3+] ZINC000592435204 347779112 /nfs/dbraw/zinc/77/91/12/347779112.db2.gz SLJSIGYQXNBOAM-SECBINFHSA-N 1 3 215.297 -0.828 20 0 BBADHO COC(=O)[C@@H]1CNCCCN1CCC[NH3+] ZINC000592435214 347779337 /nfs/dbraw/zinc/77/93/37/347779337.db2.gz SLJSIGYQXNBOAM-VIFPVBQESA-N 1 3 215.297 -0.828 20 0 BBADHO CCOC(=O)CCN(C)CCN1CC[NH2+]CC1 ZINC000592472114 397949974 /nfs/dbraw/zinc/94/99/74/397949974.db2.gz MXPDTMWLASBVLT-UHFFFAOYSA-N 1 3 243.351 -0.223 20 0 BBADHO COC(=O)CN(C)C(=O)CCN(C)CCC[NH3+] ZINC000592474294 347790576 /nfs/dbraw/zinc/79/05/76/347790576.db2.gz VNTHMSZIAKHKCT-UHFFFAOYSA-N 1 3 245.323 -0.712 20 0 BBADHO C[NH2+]CCCN1CCCNC[C@H]1C(=O)OC ZINC000592488223 347786815 /nfs/dbraw/zinc/78/68/15/347786815.db2.gz JTDMRXYAVBWXNG-JTQLQIEISA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CCCN1CCCNC[C@@H]1C(=O)OC ZINC000592488226 347786863 /nfs/dbraw/zinc/78/68/63/347786863.db2.gz JTDMRXYAVBWXNG-SNVBAGLBSA-N 1 3 229.324 -0.567 20 0 BBADHO COC(=O)[C@H]1CNCCCN1C[C@@H]1CC[NH2+]C1 ZINC000592490571 347787273 /nfs/dbraw/zinc/78/72/73/347787273.db2.gz ZYBMBBFVWIDCDA-GHMZBOCLSA-N 1 3 241.335 -0.567 20 0 BBADHO COC(=O)[C@@H]1CNCCCN1C[C@@H]1CC[NH2+]C1 ZINC000592490572 347786737 /nfs/dbraw/zinc/78/67/37/347786737.db2.gz ZYBMBBFVWIDCDA-MNOVXSKESA-N 1 3 241.335 -0.567 20 0 BBADHO COC(=O)[C@@H]1CNCCCN1C[C@H]1CC[NH2+]C1 ZINC000592490573 347787034 /nfs/dbraw/zinc/78/70/34/347787034.db2.gz ZYBMBBFVWIDCDA-QWRGUYRKSA-N 1 3 241.335 -0.567 20 0 BBADHO COC(=O)[C@H]1CNCCCN1C[C@H]1CC[NH2+]C1 ZINC000592490574 347787934 /nfs/dbraw/zinc/78/79/34/347787934.db2.gz ZYBMBBFVWIDCDA-WDEREUQCSA-N 1 3 241.335 -0.567 20 0 BBADHO COC(=O)C1CCN(CCOCC[NH3+])CC1 ZINC000592493855 347787506 /nfs/dbraw/zinc/78/75/06/347787506.db2.gz BUXJWAQKBVMGFN-UHFFFAOYSA-N 1 3 230.308 -0.153 20 0 BBADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H](O)C[NH+](C)C ZINC000594927968 348139025 /nfs/dbraw/zinc/13/90/25/348139025.db2.gz XJPAOIKMHGGHTO-GWOFURMSSA-N 1 3 244.335 -0.304 20 0 BBADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@H](O)C[NH+](C)C ZINC000594927969 348139118 /nfs/dbraw/zinc/13/91/18/348139118.db2.gz XJPAOIKMHGGHTO-LMLFDSFASA-N 1 3 244.335 -0.304 20 0 BBADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@@H](O)C[NH+](C)C ZINC000594927970 348139156 /nfs/dbraw/zinc/13/91/56/348139156.db2.gz XJPAOIKMHGGHTO-LNFKQOIKSA-N 1 3 244.335 -0.304 20 0 BBADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@H](O)C[NH+](C)C ZINC000594927971 348138957 /nfs/dbraw/zinc/13/89/57/348138957.db2.gz XJPAOIKMHGGHTO-UKKRHICBSA-N 1 3 244.335 -0.304 20 0 BBADHO COC(=O)CC[NH2+]C1(CO)CCNCC1 ZINC000595896567 348391538 /nfs/dbraw/zinc/39/15/38/348391538.db2.gz GFDIZGZFSXLTLL-UHFFFAOYSA-N 1 3 216.281 -0.746 20 0 BBADHO COC(=O)CCC[NH2+]C1(CO)CCNCC1 ZINC000595896851 348387915 /nfs/dbraw/zinc/38/79/15/348387915.db2.gz LUHYUUJABOXKQA-UHFFFAOYSA-N 1 3 230.308 -0.356 20 0 BBADHO CCOC(=O)CC[NH2+]C1(CO)CCNCC1 ZINC000595897498 348393770 /nfs/dbraw/zinc/39/37/70/348393770.db2.gz ZMRZEKJZNWPWHM-UHFFFAOYSA-N 1 3 230.308 -0.356 20 0 BBADHO COC(=O)[C@H]1C[C@@H](N(C)CCOCC[NH3+])C1 ZINC000595905899 348396653 /nfs/dbraw/zinc/39/66/53/348396653.db2.gz XGYKIONWDDMZNW-AOOOYVTPSA-N 1 3 230.308 -0.155 20 0 BBADHO COC(=O)CC[C@@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934181 348393826 /nfs/dbraw/zinc/39/38/26/348393826.db2.gz KWNQPNKURRFJCB-MRVPVSSYSA-N 1 3 245.323 -0.537 20 0 BBADHO COC(=O)CC[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934182 348393811 /nfs/dbraw/zinc/39/38/11/348393811.db2.gz KWNQPNKURRFJCB-QMMMGPOBSA-N 1 3 245.323 -0.537 20 0 BBADHO CSCC[C@@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595946189 348411346 /nfs/dbraw/zinc/41/13/46/348411346.db2.gz JVGVIOLHTHPXHK-INWMGODYSA-N 1 3 243.376 -0.065 20 0 BBADHO CSCC[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595946194 348411732 /nfs/dbraw/zinc/41/17/32/348411732.db2.gz JVGVIOLHTHPXHK-YUCVTWSNSA-N 1 3 243.376 -0.065 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](N)CCSC ZINC000595981506 348416925 /nfs/dbraw/zinc/41/69/25/348416925.db2.gz DMVGFVPWLYXMKS-HTQZYQBOSA-N 1 3 219.354 -0.209 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)[C@H](N)CCSC ZINC000595981507 348416700 /nfs/dbraw/zinc/41/67/00/348416700.db2.gz DMVGFVPWLYXMKS-JGVFFNPUSA-N 1 3 219.354 -0.209 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)CCSC ZINC000595981508 348416846 /nfs/dbraw/zinc/41/68/46/348416846.db2.gz DMVGFVPWLYXMKS-SFYZADRCSA-N 1 3 219.354 -0.209 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)CCSC ZINC000595981509 348416708 /nfs/dbraw/zinc/41/67/08/348416708.db2.gz DMVGFVPWLYXMKS-YUMQZZPRSA-N 1 3 219.354 -0.209 20 0 BBADHO COC(=O)CCCCN(C)C[C@H](O)C[NH3+] ZINC000600707695 344360212 /nfs/dbraw/zinc/36/02/12/344360212.db2.gz ACWDJNZVYDWSGI-SECBINFHSA-N 1 3 218.297 -0.419 20 0 BBADHO COC(=O)CCCC[N@@H+](C)C[C@H](O)CN ZINC000600707695 344360210 /nfs/dbraw/zinc/36/02/10/344360210.db2.gz ACWDJNZVYDWSGI-SECBINFHSA-N 1 3 218.297 -0.419 20 0 BBADHO COC(=O)CCCC[N@H+](C)C[C@H](O)CN ZINC000600707695 344360208 /nfs/dbraw/zinc/36/02/08/344360208.db2.gz ACWDJNZVYDWSGI-SECBINFHSA-N 1 3 218.297 -0.419 20 0 BBADHO COC(=O)CCCCN(C)C[C@@H](O)C[NH3+] ZINC000600707696 344360237 /nfs/dbraw/zinc/36/02/37/344360237.db2.gz ACWDJNZVYDWSGI-VIFPVBQESA-N 1 3 218.297 -0.419 20 0 BBADHO COC(=O)CCCC[N@@H+](C)C[C@@H](O)CN ZINC000600707696 344360235 /nfs/dbraw/zinc/36/02/35/344360235.db2.gz ACWDJNZVYDWSGI-VIFPVBQESA-N 1 3 218.297 -0.419 20 0 BBADHO COC(=O)CCCC[N@H+](C)C[C@@H](O)CN ZINC000600707696 344360233 /nfs/dbraw/zinc/36/02/33/344360233.db2.gz ACWDJNZVYDWSGI-VIFPVBQESA-N 1 3 218.297 -0.419 20 0 BBADHO CCOC(=O)CCN(C)CCOCC[NH3+] ZINC000600739589 344366442 /nfs/dbraw/zinc/36/64/42/344366442.db2.gz DDCNTQQMBYOZOA-UHFFFAOYSA-N 1 3 218.297 -0.153 20 0 BBADHO COC(=O)CCCN(C)CCOCC[NH3+] ZINC000600740482 344366919 /nfs/dbraw/zinc/36/69/19/344366919.db2.gz IIVOWLSLDHNACR-UHFFFAOYSA-N 1 3 218.297 -0.153 20 0 BBADHO CNC(=O)NC(=O)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326065 347207749 /nfs/dbraw/zinc/20/77/49/347207749.db2.gz IZRJVDIMUWYFCA-RKDXNWHRSA-N 1 3 242.323 -0.641 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@H](N)CCSC ZINC000602534131 349602233 /nfs/dbraw/zinc/60/22/33/349602233.db2.gz FPANIABYDLXHOW-MRVPVSSYSA-N 1 3 219.354 -0.126 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@@H](N)CCSC ZINC000602534134 349602180 /nfs/dbraw/zinc/60/21/80/349602180.db2.gz FPANIABYDLXHOW-QMMMGPOBSA-N 1 3 219.354 -0.126 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@H](N)CCC(=O)OC ZINC000602535805 349602949 /nfs/dbraw/zinc/60/29/49/349602949.db2.gz SUPWFUFPJXNIFO-MRVPVSSYSA-N 1 3 231.296 -0.926 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@@H](N)CCC(=O)OC ZINC000602535806 349602850 /nfs/dbraw/zinc/60/28/50/349602850.db2.gz SUPWFUFPJXNIFO-QMMMGPOBSA-N 1 3 231.296 -0.926 20 0 BBADHO CSCC[C@@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000602549793 349592264 /nfs/dbraw/zinc/59/22/64/349592264.db2.gz DYIXOTCXYMZIPR-SECBINFHSA-N 1 3 249.380 -0.500 20 0 BBADHO CSCC[C@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000602549794 349592005 /nfs/dbraw/zinc/59/20/05/349592005.db2.gz DYIXOTCXYMZIPR-VIFPVBQESA-N 1 3 249.380 -0.500 20 0 BBADHO CSCC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602570065 349620912 /nfs/dbraw/zinc/62/09/12/349620912.db2.gz HFJIHELKOXAUDX-XHNCKOQMSA-N 1 3 231.365 -0.067 20 0 BBADHO CSCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602573315 349622919 /nfs/dbraw/zinc/62/29/19/349622919.db2.gz HFJIHELKOXAUDX-DJLDLDEBSA-N 1 3 231.365 -0.067 20 0 BBADHO CSCC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602598142 349645185 /nfs/dbraw/zinc/64/51/85/349645185.db2.gz BXRBDFVKRALBCT-CIUDSAMLSA-N 1 3 229.349 -0.361 20 0 BBADHO CSCC[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602598143 349644925 /nfs/dbraw/zinc/64/49/25/349644925.db2.gz BXRBDFVKRALBCT-XHNCKOQMSA-N 1 3 229.349 -0.361 20 0 BBADHO CNC(=O)NC(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000603431669 349953333 /nfs/dbraw/zinc/95/33/33/349953333.db2.gz GBIBNULYTVBKGG-HTQZYQBOSA-N 1 3 242.323 -0.453 20 0 BBADHO CNC(=O)NC(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000603431691 349953263 /nfs/dbraw/zinc/95/32/63/349953263.db2.gz GBIBNULYTVBKGG-JGVFFNPUSA-N 1 3 242.323 -0.453 20 0 BBADHO CNC(=O)NC(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000603431693 349953246 /nfs/dbraw/zinc/95/32/46/349953246.db2.gz GBIBNULYTVBKGG-SFYZADRCSA-N 1 3 242.323 -0.453 20 0 BBADHO CNC(=O)NC(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000603431695 349953273 /nfs/dbraw/zinc/95/32/73/349953273.db2.gz GBIBNULYTVBKGG-YUMQZZPRSA-N 1 3 242.323 -0.453 20 0 BBADHO O[C@H]1CCN(C/C=C\C[N@H+]2CC[C@H](O)C2)C1 ZINC000603935849 350059546 /nfs/dbraw/zinc/05/95/46/350059546.db2.gz ZXSNJCWDOWUDJX-ZMCHVJTCSA-N 1 3 226.320 -0.324 20 0 BBADHO O[C@H]1CCN(C/C=C\C[N@@H+]2CC[C@H](O)C2)C1 ZINC000603935849 350059541 /nfs/dbraw/zinc/05/95/41/350059541.db2.gz ZXSNJCWDOWUDJX-ZMCHVJTCSA-N 1 3 226.320 -0.324 20 0 BBADHO NC(=O)NC(=O)CCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000604483034 350138528 /nfs/dbraw/zinc/13/85/28/350138528.db2.gz UYPPOCPCTPCGBS-DTORHVGOSA-N 1 3 240.307 -0.887 20 0 BBADHO NC(=O)NC(=O)CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000604483035 350138381 /nfs/dbraw/zinc/13/83/81/350138381.db2.gz UYPPOCPCTPCGBS-IUCAKERBSA-N 1 3 240.307 -0.887 20 0 BBADHO NC(=O)NC(=O)CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000604483036 350138706 /nfs/dbraw/zinc/13/87/06/350138706.db2.gz UYPPOCPCTPCGBS-RKDXNWHRSA-N 1 3 240.307 -0.887 20 0 BBADHO C[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)N(C)C ZINC000612907712 360170978 /nfs/dbraw/zinc/17/09/78/360170978.db2.gz GSWYDCUZCPTIQM-GXSJLCMTSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)N(C)C ZINC000612907715 360170892 /nfs/dbraw/zinc/17/08/92/360170892.db2.gz GSWYDCUZCPTIQM-ONGXEEELSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612908082 360171872 /nfs/dbraw/zinc/17/18/72/360171872.db2.gz BWYFHLUYHDMDDV-GXSJLCMTSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612908083 360171313 /nfs/dbraw/zinc/17/13/13/360171313.db2.gz BWYFHLUYHDMDDV-ONGXEEELSA-N 1 3 228.340 -0.012 20 0 BBADHO COCCNCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612914449 360187980 /nfs/dbraw/zinc/18/79/80/360187980.db2.gz DCPRIEJZWBHJEP-LLVKDONJSA-N 1 3 244.339 -0.726 20 0 BBADHO COCCNCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612914450 360188673 /nfs/dbraw/zinc/18/86/73/360188673.db2.gz DCPRIEJZWBHJEP-NSHDSACASA-N 1 3 244.339 -0.726 20 0 BBADHO C[C@@]1(NC(=O)NC[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000612925558 360196059 /nfs/dbraw/zinc/19/60/59/360196059.db2.gz XGNKBGOFAQRDGS-GXSJLCMTSA-N 1 3 242.323 -0.974 20 0 BBADHO C[C@]1(NC(=O)NC[C@H]2CNCCO2)CC[NH2+]C1 ZINC000612925562 360196537 /nfs/dbraw/zinc/19/65/37/360196537.db2.gz XGNKBGOFAQRDGS-KOLCDFICSA-N 1 3 242.323 -0.974 20 0 BBADHO C[C@@]1(NC(=O)NC[C@H]2CNCCO2)CC[NH2+]C1 ZINC000612925566 360196659 /nfs/dbraw/zinc/19/66/59/360196659.db2.gz XGNKBGOFAQRDGS-MWLCHTKSSA-N 1 3 242.323 -0.974 20 0 BBADHO C[C@]1(NC(=O)NC[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000612925567 360196621 /nfs/dbraw/zinc/19/66/21/360196621.db2.gz XGNKBGOFAQRDGS-ONGXEEELSA-N 1 3 242.323 -0.974 20 0 BBADHO CN(C)CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612976823 487621864 /nfs/dbraw/zinc/62/18/64/487621864.db2.gz SXJQUNCRRZKHOY-JTQLQIEISA-N 1 3 240.351 -0.011 20 0 BBADHO CN(C)CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612976828 487621997 /nfs/dbraw/zinc/62/19/97/487621997.db2.gz SXJQUNCRRZKHOY-SNVBAGLBSA-N 1 3 240.351 -0.011 20 0 BBADHO CC(C)[C@H](C(=O)N[C@@H](CO)CN(C)C)[NH+](C)C ZINC000614844954 363993253 /nfs/dbraw/zinc/99/32/53/363993253.db2.gz AYHYYKSZVUJNER-GHMZBOCLSA-N 1 3 245.367 -0.389 20 0 BBADHO CC(C)[C@@H](C(=O)N[C@@H](CO)CN(C)C)[NH+](C)C ZINC000614844958 363993566 /nfs/dbraw/zinc/99/35/66/363993566.db2.gz AYHYYKSZVUJNER-MNOVXSKESA-N 1 3 245.367 -0.389 20 0 BBADHO CC(C)[C@@H](C(=O)N[C@H](CO)CN(C)C)[NH+](C)C ZINC000614844960 363992893 /nfs/dbraw/zinc/99/28/93/363992893.db2.gz AYHYYKSZVUJNER-QWRGUYRKSA-N 1 3 245.367 -0.389 20 0 BBADHO CC(C)[C@H](C(=O)N[C@H](CO)CN(C)C)[NH+](C)C ZINC000614844966 363993732 /nfs/dbraw/zinc/99/37/32/363993732.db2.gz AYHYYKSZVUJNER-WDEREUQCSA-N 1 3 245.367 -0.389 20 0 BBADHO CC[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)N(C)C ZINC000614847611 363996347 /nfs/dbraw/zinc/99/63/47/363996347.db2.gz MENUPLAXLCQWTD-NXEZZACHSA-N 1 3 231.340 -0.635 20 0 BBADHO CC[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)N(C)C ZINC000614847612 363995640 /nfs/dbraw/zinc/99/56/40/363995640.db2.gz MENUPLAXLCQWTD-UWVGGRQHSA-N 1 3 231.340 -0.635 20 0 BBADHO CC[C@H](C(=O)N[C@H](CO)C[NH+](C)C)N(C)C ZINC000614847613 363995869 /nfs/dbraw/zinc/99/58/69/363995869.db2.gz MENUPLAXLCQWTD-VHSXEESVSA-N 1 3 231.340 -0.635 20 0 BBADHO CC[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)N(C)C ZINC000614847614 363995689 /nfs/dbraw/zinc/99/56/89/363995689.db2.gz MENUPLAXLCQWTD-ZJUUUORDSA-N 1 3 231.340 -0.635 20 0 BBADHO C[C@@H]1CCN(CC(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614848141 363998636 /nfs/dbraw/zinc/99/86/36/363998636.db2.gz QCFYRGMNJPDVFG-GHMZBOCLSA-N 1 3 243.351 -0.633 20 0 BBADHO C[C@@H]1CCN(CC(=O)N[C@@H](CO)CN(C)C)C1 ZINC000614848141 363998631 /nfs/dbraw/zinc/99/86/31/363998631.db2.gz QCFYRGMNJPDVFG-GHMZBOCLSA-N 1 3 243.351 -0.633 20 0 BBADHO C[C@@H]1CCN(CC(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614848142 363997913 /nfs/dbraw/zinc/99/79/13/363997913.db2.gz QCFYRGMNJPDVFG-MNOVXSKESA-N 1 3 243.351 -0.633 20 0 BBADHO C[C@@H]1CCN(CC(=O)N[C@H](CO)CN(C)C)C1 ZINC000614848142 363997907 /nfs/dbraw/zinc/99/79/07/363997907.db2.gz QCFYRGMNJPDVFG-MNOVXSKESA-N 1 3 243.351 -0.633 20 0 BBADHO C[C@H]1CCN(CC(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614848143 363998181 /nfs/dbraw/zinc/99/81/81/363998181.db2.gz QCFYRGMNJPDVFG-QWRGUYRKSA-N 1 3 243.351 -0.633 20 0 BBADHO C[C@H]1CCN(CC(=O)N[C@H](CO)CN(C)C)C1 ZINC000614848143 363998173 /nfs/dbraw/zinc/99/81/73/363998173.db2.gz QCFYRGMNJPDVFG-QWRGUYRKSA-N 1 3 243.351 -0.633 20 0 BBADHO C[C@H]1CCN(CC(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614848144 363997810 /nfs/dbraw/zinc/99/78/10/363997810.db2.gz QCFYRGMNJPDVFG-WDEREUQCSA-N 1 3 243.351 -0.633 20 0 BBADHO C[C@H]1CCN(CC(=O)N[C@@H](CO)CN(C)C)C1 ZINC000614848144 363997804 /nfs/dbraw/zinc/99/78/04/363997804.db2.gz QCFYRGMNJPDVFG-WDEREUQCSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000614850115 364000254 /nfs/dbraw/zinc/00/02/54/364000254.db2.gz SOXIXMNPPYUVSC-LLVKDONJSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000614850116 364000569 /nfs/dbraw/zinc/00/05/69/364000569.db2.gz SOXIXMNPPYUVSC-NSHDSACASA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@H](CO)NC(=O)CCCC[NH+](C)C ZINC000614853918 364009137 /nfs/dbraw/zinc/00/91/37/364009137.db2.gz JEINCKBJHHPIKD-LLVKDONJSA-N 1 3 245.367 -0.243 20 0 BBADHO CN(C)C[C@@H](CO)NC(=O)CCCC[NH+](C)C ZINC000614853920 364009170 /nfs/dbraw/zinc/00/91/70/364009170.db2.gz JEINCKBJHHPIKD-NSHDSACASA-N 1 3 245.367 -0.243 20 0 BBADHO CCCN(C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614854339 364010635 /nfs/dbraw/zinc/01/06/35/364010635.db2.gz NFONJDKAIHDKNL-JTQLQIEISA-N 1 3 231.340 -0.633 20 0 BBADHO CCCN(C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854340 364010797 /nfs/dbraw/zinc/01/07/97/364010797.db2.gz NFONJDKAIHDKNL-SNVBAGLBSA-N 1 3 231.340 -0.633 20 0 BBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CN(C)C)CC[N@H+]1C ZINC000614859445 364015591 /nfs/dbraw/zinc/01/55/91/364015591.db2.gz ZKCHDFXUKLAAFR-GMTAPVOTSA-N 1 3 243.351 -0.635 20 0 BBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CN(C)C)CC[N@@H+]1C ZINC000614859445 364015588 /nfs/dbraw/zinc/01/55/88/364015588.db2.gz ZKCHDFXUKLAAFR-GMTAPVOTSA-N 1 3 243.351 -0.635 20 0 BBADHO C[C@@H]1[C@H](C(=O)N[C@H](CO)CN(C)C)CC[N@H+]1C ZINC000614859446 364015158 /nfs/dbraw/zinc/01/51/58/364015158.db2.gz ZKCHDFXUKLAAFR-OUAUKWLOSA-N 1 3 243.351 -0.635 20 0 BBADHO C[C@@H]1[C@H](C(=O)N[C@H](CO)CN(C)C)CC[N@@H+]1C ZINC000614859446 364015153 /nfs/dbraw/zinc/01/51/53/364015153.db2.gz ZKCHDFXUKLAAFR-OUAUKWLOSA-N 1 3 243.351 -0.635 20 0 BBADHO C[N@H+]1CC[C@H](C(=O)N2CCN3CC[C@H]2C3)C1 ZINC000615564907 490238228 /nfs/dbraw/zinc/23/82/28/490238228.db2.gz NGIPYTKYJONCGC-QWRGUYRKSA-N 1 3 223.320 -0.145 20 0 BBADHO C[N@@H+]1CC[C@H](C(=O)N2CCN3CC[C@H]2C3)C1 ZINC000615564907 490238221 /nfs/dbraw/zinc/23/82/21/490238221.db2.gz NGIPYTKYJONCGC-QWRGUYRKSA-N 1 3 223.320 -0.145 20 0 BBADHO C[C@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506158 354602408 /nfs/dbraw/zinc/60/24/08/354602408.db2.gz CGFDCPBTRKHWFN-QWRGUYRKSA-N 1 3 245.367 -0.245 20 0 BBADHO C[C@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506158 354602405 /nfs/dbraw/zinc/60/24/05/354602405.db2.gz CGFDCPBTRKHWFN-QWRGUYRKSA-N 1 3 245.367 -0.245 20 0 BBADHO C[C@@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506159 354602273 /nfs/dbraw/zinc/60/22/73/354602273.db2.gz CGFDCPBTRKHWFN-WDEREUQCSA-N 1 3 245.367 -0.245 20 0 BBADHO C[C@@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506159 354602269 /nfs/dbraw/zinc/60/22/69/354602269.db2.gz CGFDCPBTRKHWFN-WDEREUQCSA-N 1 3 245.367 -0.245 20 0 BBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CO ZINC000617506522 354602323 /nfs/dbraw/zinc/60/23/23/354602323.db2.gz QPCKMAMREAZMOK-JTQLQIEISA-N 1 3 231.340 -0.633 20 0 BBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CO ZINC000617506522 354602319 /nfs/dbraw/zinc/60/23/19/354602319.db2.gz QPCKMAMREAZMOK-JTQLQIEISA-N 1 3 231.340 -0.633 20 0 BBADHO CN[C@@H](C)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621678991 370429534 /nfs/dbraw/zinc/42/95/34/370429534.db2.gz BDIZEQLNHSKWKY-ATZCPNFKSA-N 1 3 211.309 -0.066 20 0 BBADHO CN[C@@H](C)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621678992 370429390 /nfs/dbraw/zinc/42/93/90/370429390.db2.gz BDIZEQLNHSKWKY-IQJOONFLSA-N 1 3 211.309 -0.066 20 0 BBADHO CN[C@@H](C)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621678993 370428933 /nfs/dbraw/zinc/42/89/33/370428933.db2.gz BDIZEQLNHSKWKY-NGZCFLSTSA-N 1 3 211.309 -0.066 20 0 BBADHO CN[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621678994 370429571 /nfs/dbraw/zinc/42/95/71/370429571.db2.gz BDIZEQLNHSKWKY-QXEWZRGKSA-N 1 3 211.309 -0.066 20 0 BBADHO COCCNCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684402 370434722 /nfs/dbraw/zinc/43/47/22/370434722.db2.gz LZACOJYOMJAYAN-CMPLNLGQSA-N 1 3 241.335 -0.438 20 0 BBADHO COCCNCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684403 370434814 /nfs/dbraw/zinc/43/48/14/370434814.db2.gz LZACOJYOMJAYAN-JQWIXIFHSA-N 1 3 241.335 -0.438 20 0 BBADHO COCCNCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684404 370435037 /nfs/dbraw/zinc/43/50/37/370435037.db2.gz LZACOJYOMJAYAN-PWSUYJOCSA-N 1 3 241.335 -0.438 20 0 BBADHO COCCNCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684405 370434729 /nfs/dbraw/zinc/43/47/29/370434729.db2.gz LZACOJYOMJAYAN-ZYHUDNBSSA-N 1 3 241.335 -0.438 20 0 BBADHO NC1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621685648 370436018 /nfs/dbraw/zinc/43/60/18/370436018.db2.gz IPCXWFZZHXRCLA-GZMMTYOYSA-N 1 3 209.293 -0.183 20 0 BBADHO NC1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621685649 370436024 /nfs/dbraw/zinc/43/60/24/370436024.db2.gz IPCXWFZZHXRCLA-KCJUWKMLSA-N 1 3 209.293 -0.183 20 0 BBADHO NC1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621685650 370435587 /nfs/dbraw/zinc/43/55/87/370435587.db2.gz IPCXWFZZHXRCLA-KWQFWETISA-N 1 3 209.293 -0.183 20 0 BBADHO NC1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621685651 370436015 /nfs/dbraw/zinc/43/60/15/370436015.db2.gz IPCXWFZZHXRCLA-LDYMZIIASA-N 1 3 209.293 -0.183 20 0 BBADHO CN1CCN(CCN2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776435 343899065 /nfs/dbraw/zinc/89/90/65/343899065.db2.gz KXXWUMYFRFUHPX-UHFFFAOYSA-N 1 3 240.395 -0.082 20 0 BBADHO CN1CCN(CCOCC[NH3+])C(C)(C)C1 ZINC000621776551 370524230 /nfs/dbraw/zinc/52/42/30/370524230.db2.gz OJNQHOMADPBEEX-UHFFFAOYSA-N 1 3 215.341 -0.012 20 0 BBADHO [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1CNCCO1)C2 ZINC000621783685 370533737 /nfs/dbraw/zinc/53/37/37/370533737.db2.gz DTGICXXLMPKPGA-SRVKXCTJSA-N 1 3 225.336 -0.212 20 0 BBADHO [NH3+][C@]12CCC[C@H]1CN(C[C@H]1CNCCO1)C2 ZINC000621783686 370533969 /nfs/dbraw/zinc/53/39/69/370533969.db2.gz DTGICXXLMPKPGA-TUAOUCFPSA-N 1 3 225.336 -0.212 20 0 BBADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1CNCCO1)C2 ZINC000621783687 370534228 /nfs/dbraw/zinc/53/42/28/370534228.db2.gz DTGICXXLMPKPGA-UTUOFQBUSA-N 1 3 225.336 -0.212 20 0 BBADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1CNCCO1)C2 ZINC000621783688 343907091 /nfs/dbraw/zinc/90/70/91/343907091.db2.gz DTGICXXLMPKPGA-WOPDTQHZSA-N 1 3 225.336 -0.212 20 0 BBADHO N[C@]12CCC[C@@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000621785057 370539095 /nfs/dbraw/zinc/53/90/95/370539095.db2.gz YTEWJQKICNUOQI-KKZNHRDASA-N 1 3 209.293 -0.312 20 0 BBADHO N[C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000621785057 370539092 /nfs/dbraw/zinc/53/90/92/370539092.db2.gz YTEWJQKICNUOQI-KKZNHRDASA-N 1 3 209.293 -0.312 20 0 BBADHO N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000621785058 370539696 /nfs/dbraw/zinc/53/96/96/370539696.db2.gz YTEWJQKICNUOQI-NGZCFLSTSA-N 1 3 209.293 -0.312 20 0 BBADHO N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000621785058 370539692 /nfs/dbraw/zinc/53/96/92/370539692.db2.gz YTEWJQKICNUOQI-NGZCFLSTSA-N 1 3 209.293 -0.312 20 0 BBADHO N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC000621785059 370539061 /nfs/dbraw/zinc/53/90/61/370539061.db2.gz YTEWJQKICNUOQI-QXEWZRGKSA-N 1 3 209.293 -0.312 20 0 BBADHO N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000621785059 370539059 /nfs/dbraw/zinc/53/90/59/370539059.db2.gz YTEWJQKICNUOQI-QXEWZRGKSA-N 1 3 209.293 -0.312 20 0 BBADHO N[C@]12CCC[C@@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC000621785060 370539666 /nfs/dbraw/zinc/53/96/66/370539666.db2.gz YTEWJQKICNUOQI-YWVKMMECSA-N 1 3 209.293 -0.312 20 0 BBADHO N[C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000621785060 370539662 /nfs/dbraw/zinc/53/96/62/370539662.db2.gz YTEWJQKICNUOQI-YWVKMMECSA-N 1 3 209.293 -0.312 20 0 BBADHO C[NH+](C)CC(C)(C)CNc1nc(N)nc(N)n1 ZINC000623792003 363021071 /nfs/dbraw/zinc/02/10/71/363021071.db2.gz DBCZDOYBAIKSIC-UHFFFAOYSA-N 1 3 239.327 -0.882 20 0 BBADHO Nc1nc(N)nc(NCCC[NH+]2CCCC2)n1 ZINC000623812920 347068987 /nfs/dbraw/zinc/06/89/87/347068987.db2.gz UEVQVPXIIOUOKM-UHFFFAOYSA-N 1 3 237.311 -0.984 20 0 BBADHO CC[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623813594 371106268 /nfs/dbraw/zinc/10/62/68/371106268.db2.gz VGPIUTRNBPYPPK-UHFFFAOYSA-N 1 3 237.311 -0.985 20 0 BBADHO Nc1nc(N)nc(NC2CC[NH+](C3CC3)CC2)n1 ZINC000623829546 371115907 /nfs/dbraw/zinc/11/59/07/371115907.db2.gz LRKONIWHCJHXKB-UHFFFAOYSA-N 1 3 249.322 -0.843 20 0 BBADHO Nc1nc(N)nc(NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000623851825 344115581 /nfs/dbraw/zinc/11/55/81/344115581.db2.gz IRMSNFANQCMXGR-SSDOTTSWSA-N 1 3 249.322 -0.985 20 0 BBADHO Nc1nc(N)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000623851825 344115579 /nfs/dbraw/zinc/11/55/79/344115579.db2.gz IRMSNFANQCMXGR-SSDOTTSWSA-N 1 3 249.322 -0.985 20 0 BBADHO Nc1nc(N)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000623851826 344115398 /nfs/dbraw/zinc/11/53/98/344115398.db2.gz IRMSNFANQCMXGR-ZETCQYMHSA-N 1 3 249.322 -0.985 20 0 BBADHO Nc1nc(N)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000623851826 344115395 /nfs/dbraw/zinc/11/53/95/344115395.db2.gz IRMSNFANQCMXGR-ZETCQYMHSA-N 1 3 249.322 -0.985 20 0 BBADHO C[NH+](C)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623852003 344149717 /nfs/dbraw/zinc/14/97/17/344149717.db2.gz NGISNGNJJHQZRR-UHFFFAOYSA-N 1 3 237.311 -0.773 20 0 BBADHO CC(C)[N@@H+](C)CCCNc1nc(N)nc(N)n1 ZINC000623853148 344409301 /nfs/dbraw/zinc/40/93/01/344409301.db2.gz ODVLVOXJMNNQGR-UHFFFAOYSA-N 1 3 239.327 -0.739 20 0 BBADHO CC(C)[N@H+](C)CCCNc1nc(N)nc(N)n1 ZINC000623853148 344409299 /nfs/dbraw/zinc/40/92/99/344409299.db2.gz ODVLVOXJMNNQGR-UHFFFAOYSA-N 1 3 239.327 -0.739 20 0 BBADHO Nc1nc(N)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000623869084 371133900 /nfs/dbraw/zinc/13/39/00/371133900.db2.gz OITTULQHLLIIJB-HTQZYQBOSA-N 1 3 249.322 -0.843 20 0 BBADHO Nc1nc(N)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000623869084 371133895 /nfs/dbraw/zinc/13/38/95/371133895.db2.gz OITTULQHLLIIJB-HTQZYQBOSA-N 1 3 249.322 -0.843 20 0 BBADHO Nc1nc(N)nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000623869085 371134011 /nfs/dbraw/zinc/13/40/11/371134011.db2.gz OITTULQHLLIIJB-JGVFFNPUSA-N 1 3 249.322 -0.843 20 0 BBADHO Nc1nc(N)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000623869085 371134006 /nfs/dbraw/zinc/13/40/06/371134006.db2.gz OITTULQHLLIIJB-JGVFFNPUSA-N 1 3 249.322 -0.843 20 0 BBADHO Nc1nc(N)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000623869086 371134365 /nfs/dbraw/zinc/13/43/65/371134365.db2.gz OITTULQHLLIIJB-SFYZADRCSA-N 1 3 249.322 -0.843 20 0 BBADHO Nc1nc(N)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000623869086 371134361 /nfs/dbraw/zinc/13/43/61/371134361.db2.gz OITTULQHLLIIJB-SFYZADRCSA-N 1 3 249.322 -0.843 20 0 BBADHO Nc1nc(N)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000623869087 371134537 /nfs/dbraw/zinc/13/45/37/371134537.db2.gz OITTULQHLLIIJB-YUMQZZPRSA-N 1 3 249.322 -0.843 20 0 BBADHO Nc1nc(N)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000623869087 371134534 /nfs/dbraw/zinc/13/45/34/371134534.db2.gz OITTULQHLLIIJB-YUMQZZPRSA-N 1 3 249.322 -0.843 20 0 BBADHO C[NH+](C)C[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000623970217 371206791 /nfs/dbraw/zinc/20/67/91/371206791.db2.gz ICXWWGJIEOSWEI-SSDOTTSWSA-N 1 3 237.311 -0.915 20 0 BBADHO C[NH+](C)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000623970218 371206888 /nfs/dbraw/zinc/20/68/88/371206888.db2.gz ICXWWGJIEOSWEI-ZETCQYMHSA-N 1 3 237.311 -0.915 20 0 BBADHO C[C@H]1C[C@@H](Nc2nc(N)nc(N)n2)CC[N@H+]1C ZINC000623995278 370565363 /nfs/dbraw/zinc/56/53/63/370565363.db2.gz SPJPGGVAHIRCTC-BQBZGAKWSA-N 1 3 237.311 -0.987 20 0 BBADHO C[C@H]1C[C@@H](Nc2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000623995278 370565360 /nfs/dbraw/zinc/56/53/60/370565360.db2.gz SPJPGGVAHIRCTC-BQBZGAKWSA-N 1 3 237.311 -0.987 20 0 BBADHO C[C@H]1C[C@H](Nc2nc(N)nc(N)n2)CC[N@H+]1C ZINC000623995279 370565212 /nfs/dbraw/zinc/56/52/12/370565212.db2.gz SPJPGGVAHIRCTC-NKWVEPMBSA-N 1 3 237.311 -0.987 20 0 BBADHO C[C@H]1C[C@H](Nc2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000623995279 370565210 /nfs/dbraw/zinc/56/52/10/370565210.db2.gz SPJPGGVAHIRCTC-NKWVEPMBSA-N 1 3 237.311 -0.987 20 0 BBADHO C[C@@H]1C[C@H](Nc2nc(N)nc(N)n2)CC[N@H+]1C ZINC000623995280 370565701 /nfs/dbraw/zinc/56/57/01/370565701.db2.gz SPJPGGVAHIRCTC-RNFRBKRXSA-N 1 3 237.311 -0.987 20 0 BBADHO C[C@@H]1C[C@H](Nc2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000623995280 370565697 /nfs/dbraw/zinc/56/56/97/370565697.db2.gz SPJPGGVAHIRCTC-RNFRBKRXSA-N 1 3 237.311 -0.987 20 0 BBADHO C[C@@H]1C[C@@H](Nc2nc(N)nc(N)n2)CC[N@H+]1C ZINC000623995281 370565912 /nfs/dbraw/zinc/56/59/12/370565912.db2.gz SPJPGGVAHIRCTC-RQJHMYQMSA-N 1 3 237.311 -0.987 20 0 BBADHO C[C@@H]1C[C@@H](Nc2nc(N)nc(N)n2)CC[N@@H+]1C ZINC000623995281 370565905 /nfs/dbraw/zinc/56/59/05/370565905.db2.gz SPJPGGVAHIRCTC-RQJHMYQMSA-N 1 3 237.311 -0.987 20 0 BBADHO Nc1nc(N)nc(N2CCC([NH2+]C3CC3)CC2)n1 ZINC000624050996 371278165 /nfs/dbraw/zinc/27/81/65/371278165.db2.gz OPGVWZKVJDTLKY-UHFFFAOYSA-N 1 3 249.322 -0.582 20 0 BBADHO CN(CCC[NH+](C)C)c1nc(N)nc(N)n1 ZINC000624085416 371297780 /nfs/dbraw/zinc/29/77/80/371297780.db2.gz SOPRPXQGYRRZIZ-UHFFFAOYSA-N 1 3 225.300 -0.915 20 0 BBADHO C[C@@H](Nc1nc(N)nc(N)n1)C1=CC[N@@H+](C)CC1 ZINC000624093236 371301886 /nfs/dbraw/zinc/30/18/86/371301886.db2.gz SADBBUCUKQKWHM-SSDOTTSWSA-N 1 3 249.322 -0.819 20 0 BBADHO C[C@@H](Nc1nc(N)nc(N)n1)C1=CC[N@H+](C)CC1 ZINC000624093236 371301879 /nfs/dbraw/zinc/30/18/79/371301879.db2.gz SADBBUCUKQKWHM-SSDOTTSWSA-N 1 3 249.322 -0.819 20 0 BBADHO C[C@H](Nc1nc(N)nc(N)n1)C1=CC[N@@H+](C)CC1 ZINC000624093237 371301806 /nfs/dbraw/zinc/30/18/06/371301806.db2.gz SADBBUCUKQKWHM-ZETCQYMHSA-N 1 3 249.322 -0.819 20 0 BBADHO C[C@H](Nc1nc(N)nc(N)n1)C1=CC[N@H+](C)CC1 ZINC000624093237 371301803 /nfs/dbraw/zinc/30/18/03/371301803.db2.gz SADBBUCUKQKWHM-ZETCQYMHSA-N 1 3 249.322 -0.819 20 0 BBADHO CCN(CCC[NH+](C)C)c1nc(N)nc(N)n1 ZINC000624150492 371347517 /nfs/dbraw/zinc/34/75/17/371347517.db2.gz KPGKHKXMJNLQRP-UHFFFAOYSA-N 1 3 239.327 -0.525 20 0 BBADHO C[N@H+]1CC[C@@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624242517 371430394 /nfs/dbraw/zinc/43/03/94/371430394.db2.gz PXCRADSCJFPMQA-LLVKDONJSA-N 1 3 249.322 -0.771 20 0 BBADHO C[N@@H+]1CC[C@@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624242517 371430388 /nfs/dbraw/zinc/43/03/88/371430388.db2.gz PXCRADSCJFPMQA-LLVKDONJSA-N 1 3 249.322 -0.771 20 0 BBADHO C[N@H+]1CC[C@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624242518 371429783 /nfs/dbraw/zinc/42/97/83/371429783.db2.gz PXCRADSCJFPMQA-NSHDSACASA-N 1 3 249.322 -0.771 20 0 BBADHO C[N@@H+]1CC[C@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624242518 371429781 /nfs/dbraw/zinc/42/97/81/371429781.db2.gz PXCRADSCJFPMQA-NSHDSACASA-N 1 3 249.322 -0.771 20 0 BBADHO CCN(CC[NH3+])C(=O)NCCN(C)CCOC ZINC000626965527 363065798 /nfs/dbraw/zinc/06/57/98/363065798.db2.gz ITBVVFBPWFBNMP-UHFFFAOYSA-N 1 3 246.355 -0.445 20 0 BBADHO COCCN(C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626965582 363066412 /nfs/dbraw/zinc/06/64/12/363066412.db2.gz JHYIETYHRXCMBQ-SNVBAGLBSA-N 1 3 244.339 -0.774 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCN(C2CC2)C1 ZINC000626979297 388457457 /nfs/dbraw/zinc/45/74/57/388457457.db2.gz WFLPRBMQFYMCLL-NXEZZACHSA-N 1 3 238.335 -0.116 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC000626979298 388457505 /nfs/dbraw/zinc/45/75/05/388457505.db2.gz WFLPRBMQFYMCLL-ZJUUUORDSA-N 1 3 238.335 -0.116 20 0 BBADHO CN(C)CCOCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627019014 363116002 /nfs/dbraw/zinc/11/60/02/363116002.db2.gz NCZVFTAUBCBWSM-SNVBAGLBSA-N 1 3 244.339 -0.774 20 0 BBADHO CCN(CC[NH3+])C(=O)NCCOCCN(C)C ZINC000627019375 363117482 /nfs/dbraw/zinc/11/74/82/363117482.db2.gz ZDDGHCSSJRHOHC-UHFFFAOYSA-N 1 3 246.355 -0.445 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)NCCOCCC[NH3+] ZINC000627035441 388593808 /nfs/dbraw/zinc/59/38/08/388593808.db2.gz FLDUPHOECQFZLL-JTQLQIEISA-N 1 3 246.355 -0.399 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627035923 363140840 /nfs/dbraw/zinc/14/08/40/363140840.db2.gz MDINXLOBYJYEBR-LPEHRKFASA-N 1 3 228.340 -0.014 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627035950 363141028 /nfs/dbraw/zinc/14/10/28/363141028.db2.gz NJTLXRNCTKNUJW-DTWKUNHWSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCOCCNC(=O)N[C@@H](C)CN(C)C ZINC000627036086 363136514 /nfs/dbraw/zinc/13/65/14/363136514.db2.gz RIHVWRSFNGXFIC-JTQLQIEISA-N 1 3 246.355 -0.528 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)N(C)CCOCC[NH3+] ZINC000627036401 363141994 /nfs/dbraw/zinc/14/19/94/363141994.db2.gz XRJRJWXMJWGEIN-JTQLQIEISA-N 1 3 246.355 -0.447 20 0 BBADHO CCN(CC[NH3+])C(=O)N[C@@H](C)CN(C)C ZINC000627036448 363140942 /nfs/dbraw/zinc/14/09/42/363140942.db2.gz YOLCPNBEQRISMZ-VIFPVBQESA-N 1 3 216.329 -0.073 20 0 BBADHO C[C@@H](CNC(=O)NCCOCCC[NH3+])N(C)C ZINC000627051396 388627085 /nfs/dbraw/zinc/62/70/85/388627085.db2.gz BTJYELASVDJVEH-JTQLQIEISA-N 1 3 246.355 -0.399 20 0 BBADHO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)N(C)C ZINC000627051815 363171727 /nfs/dbraw/zinc/17/17/27/363171727.db2.gz HUCRMTIMAMILAM-DTWKUNHWSA-N 1 3 214.313 -0.402 20 0 BBADHO C[NH2+]CCOCCNC(=O)NC[C@H](C)N(C)C ZINC000627052249 363171798 /nfs/dbraw/zinc/17/17/98/363171798.db2.gz MJGHWSDVHINEJF-JTQLQIEISA-N 1 3 246.355 -0.528 20 0 BBADHO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)N(C)C ZINC000627052318 363172204 /nfs/dbraw/zinc/17/22/04/363172204.db2.gz OFBSHTQJZPQVEJ-LPEHRKFASA-N 1 3 228.340 -0.014 20 0 BBADHO C[C@@H](CNC(=O)N(C)CCOCC[NH3+])N(C)C ZINC000627052833 363172353 /nfs/dbraw/zinc/17/23/53/363172353.db2.gz UAIGWKYKGCTNNM-JTQLQIEISA-N 1 3 246.355 -0.447 20 0 BBADHO CCN(CC[NH3+])C(=O)NC[C@H](C)N(C)C ZINC000627053058 363171910 /nfs/dbraw/zinc/17/19/10/363171910.db2.gz WPCDSDKXUYMLFM-VIFPVBQESA-N 1 3 216.329 -0.073 20 0 BBADHO C[NH2+]CCNC(=O)NC[C@H]1CCCN1C ZINC000627072030 363201996 /nfs/dbraw/zinc/20/19/96/363201996.db2.gz OBSIVEJFPJOIFD-SECBINFHSA-N 1 3 214.313 -0.401 20 0 BBADHO C[NH2+]CCNC(=O)NC[C@@H]1CCCN1C ZINC000627072032 363202149 /nfs/dbraw/zinc/20/21/49/363202149.db2.gz OBSIVEJFPJOIFD-VIFPVBQESA-N 1 3 214.313 -0.401 20 0 BBADHO COCCNCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627082281 363231177 /nfs/dbraw/zinc/23/11/77/363231177.db2.gz HJFTWWPLFZZPNV-VHSXEESVSA-N 1 3 244.339 -0.728 20 0 BBADHO C[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN1C ZINC000627084674 363237701 /nfs/dbraw/zinc/23/77/01/363237701.db2.gz LMBZRHUFOHKKBW-RKDXNWHRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1C ZINC000627085328 363236779 /nfs/dbraw/zinc/23/67/79/363236779.db2.gz LMBZRHUFOHKKBW-BDAKNGLRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H]([NH3+])CNC(=O)NC[C@H]1CCCN1C ZINC000627088801 363242518 /nfs/dbraw/zinc/24/25/18/363242518.db2.gz IZFTXERUHTUFTQ-DTWKUNHWSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCN1C ZINC000627088802 363242250 /nfs/dbraw/zinc/24/22/50/363242250.db2.gz IZFTXERUHTUFTQ-RKDXNWHRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCN1C ZINC000627089333 363242407 /nfs/dbraw/zinc/24/24/07/363242407.db2.gz IZFTXERUHTUFTQ-BDAKNGLRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCN1C ZINC000627089334 363242424 /nfs/dbraw/zinc/24/24/24/363242424.db2.gz IZFTXERUHTUFTQ-IUCAKERBSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000627103949 363263850 /nfs/dbraw/zinc/26/38/50/363263850.db2.gz QBUOZSXCGGROIU-IVZWLZJFSA-N 1 3 242.323 -0.976 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000627103952 363263358 /nfs/dbraw/zinc/26/33/58/363263358.db2.gz QBUOZSXCGGROIU-LPEHRKFASA-N 1 3 242.323 -0.976 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000627118416 363285477 /nfs/dbraw/zinc/28/54/77/363285477.db2.gz AGIJUNGNZCTUOG-NXEZZACHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000627118417 363285382 /nfs/dbraw/zinc/28/53/82/363285382.db2.gz AGIJUNGNZCTUOG-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000627118418 363285546 /nfs/dbraw/zinc/28/55/46/363285546.db2.gz AGIJUNGNZCTUOG-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000627118419 363285465 /nfs/dbraw/zinc/28/54/65/363285465.db2.gz AGIJUNGNZCTUOG-ZJUUUORDSA-N 1 3 228.340 -0.012 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627135017 363351541 /nfs/dbraw/zinc/35/15/41/363351541.db2.gz PRWWLEXZHXEFHX-NXEZZACHSA-N 1 3 226.324 -0.177 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627135018 363351293 /nfs/dbraw/zinc/35/12/93/363351293.db2.gz PRWWLEXZHXEFHX-VHSXEESVSA-N 1 3 226.324 -0.177 20 0 BBADHO CN(CC[NH3+])C(=O)NC[C@H]1CCCN1C ZINC000627135366 363355118 /nfs/dbraw/zinc/35/51/18/363355118.db2.gz SQFJZOPGMTTYLA-SECBINFHSA-N 1 3 214.313 -0.319 20 0 BBADHO CN(C)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627151962 363390659 /nfs/dbraw/zinc/39/06/59/363390659.db2.gz QQJHVJSDPSBNGI-UHFFFAOYSA-N 1 3 244.339 -0.645 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCN(C)C ZINC000627165434 363406390 /nfs/dbraw/zinc/40/63/90/363406390.db2.gz VMMBQMKXLXIQFZ-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]CCOCCNC(=O)N1CCCNCC1 ZINC000627172279 363421584 /nfs/dbraw/zinc/42/15/84/363421584.db2.gz WDRDIKLPYCMKAC-UHFFFAOYSA-N 1 3 244.339 -0.773 20 0 BBADHO C[NH2+]CCOCCNC(=O)NCCN(C)C ZINC000627173542 363422193 /nfs/dbraw/zinc/42/21/93/363422193.db2.gz ANHYGFQVYQTFMU-UHFFFAOYSA-N 1 3 232.328 -0.917 20 0 BBADHO C[NH2+]CCOCCNC(=O)N(C)CCN(C)C ZINC000627174967 363422215 /nfs/dbraw/zinc/42/22/15/363422215.db2.gz NUFYMTPQPJJKRQ-UHFFFAOYSA-N 1 3 246.355 -0.575 20 0 BBADHO C[C@@H]1CC[C@@H](NC(=O)NCCN(C)C)C[NH2+]1 ZINC000627201156 363498664 /nfs/dbraw/zinc/49/86/64/363498664.db2.gz FMTYDLCZNOZBOO-NXEZZACHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@H]1CC[C@H](NC(=O)NCCN(C)C)C[NH2+]1 ZINC000627201161 363498723 /nfs/dbraw/zinc/49/87/23/363498723.db2.gz FMTYDLCZNOZBOO-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@H]1CC[C@@H](NC(=O)NCCN(C)C)C[NH2+]1 ZINC000627201162 363498927 /nfs/dbraw/zinc/49/89/27/363498927.db2.gz FMTYDLCZNOZBOO-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)NCCN(C)C)C[NH2+]1 ZINC000627201163 363498647 /nfs/dbraw/zinc/49/86/47/363498647.db2.gz FMTYDLCZNOZBOO-ZJUUUORDSA-N 1 3 228.340 -0.012 20 0 BBADHO CN(C)CCN(C)C(=O)NCCOCCC[NH3+] ZINC000627214459 363509555 /nfs/dbraw/zinc/50/95/55/363509555.db2.gz NYCQVPBKCRKUKO-UHFFFAOYSA-N 1 3 246.355 -0.445 20 0 BBADHO CN(C)CCNC(=O)NCCOCCC[NH3+] ZINC000627215758 363513012 /nfs/dbraw/zinc/51/30/12/363513012.db2.gz JWQFGMVPABHGSW-UHFFFAOYSA-N 1 3 232.328 -0.787 20 0 BBADHO [NH3+]CCCOCCNC(=O)N1CCCNCC1 ZINC000627219156 363516509 /nfs/dbraw/zinc/51/65/09/363516509.db2.gz QTODKXGRTUROLC-UHFFFAOYSA-N 1 3 244.339 -0.643 20 0 BBADHO CN1CCC[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627226705 363555543 /nfs/dbraw/zinc/55/55/43/363555543.db2.gz PRWWLEXZHXEFHX-UWVGGRQHSA-N 1 3 226.324 -0.177 20 0 BBADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627226706 363555221 /nfs/dbraw/zinc/55/52/21/363555221.db2.gz PRWWLEXZHXEFHX-ZJUUUORDSA-N 1 3 226.324 -0.177 20 0 BBADHO CN(CC[NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000627226846 363555321 /nfs/dbraw/zinc/55/53/21/363555321.db2.gz SQFJZOPGMTTYLA-VIFPVBQESA-N 1 3 214.313 -0.319 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCN(C)C ZINC000627240437 363810972 /nfs/dbraw/zinc/81/09/72/363810972.db2.gz QKBZGCLNMYKIRA-VHSXEESVSA-N 1 3 228.340 -0.060 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCN(C)C ZINC000627241701 363831389 /nfs/dbraw/zinc/83/13/89/363831389.db2.gz JPYUJGOFBPTIDH-DTWKUNHWSA-N 1 3 214.313 -0.402 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCNCC1 ZINC000627245920 363849515 /nfs/dbraw/zinc/84/95/15/363849515.db2.gz VPPUSKULHNDEBD-VHSXEESVSA-N 1 3 226.324 -0.258 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000627247056 363850272 /nfs/dbraw/zinc/85/02/72/363850272.db2.gz WWTUGQWKDWOAMQ-SGIHWFKDSA-N 1 3 244.314 -0.183 20 0 BBADHO CN(C)CCN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249235 363860014 /nfs/dbraw/zinc/86/00/14/363860014.db2.gz YWGGVAXNRHIYHG-SECBINFHSA-N 1 3 214.313 -0.449 20 0 BBADHO CN1CC=C(CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627249831 363864009 /nfs/dbraw/zinc/86/40/09/363864009.db2.gz HVIFBVDUFFVBNQ-LLVKDONJSA-N 1 3 238.335 -0.091 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCN2CCC1CC2 ZINC000627250766 363870779 /nfs/dbraw/zinc/87/07/79/363870779.db2.gz DXYSXNPCPLRAMI-SNVBAGLBSA-N 1 3 238.335 -0.162 20 0 BBADHO CN1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000627252025 363876221 /nfs/dbraw/zinc/87/62/21/363876221.db2.gz IXWZZAROEWGVTQ-MXWKQRLJSA-N 1 3 238.335 -0.306 20 0 BBADHO C[C@H]1NCCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000627252106 363877078 /nfs/dbraw/zinc/87/70/78/363877078.db2.gz LATAPNPPJRJHEH-KXUCPTDWSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@H]1NCCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000627252107 363877271 /nfs/dbraw/zinc/87/72/71/363877271.db2.gz LATAPNPPJRJHEH-OPRDCNLKSA-N 1 3 226.324 -0.260 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCCNCC1 ZINC000627252269 363878216 /nfs/dbraw/zinc/87/82/16/363878216.db2.gz PCMJCCUHGSSOCX-SECBINFHSA-N 1 3 212.297 -0.647 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252270 363878145 /nfs/dbraw/zinc/87/81/45/363878145.db2.gz PDMXFGPBXKLQSY-IVZWLZJFSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000627252271 363878226 /nfs/dbraw/zinc/87/82/26/363878226.db2.gz PDMXFGPBXKLQSY-LPEHRKFASA-N 1 3 226.324 -0.260 20 0 BBADHO N[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000627253085 363880480 /nfs/dbraw/zinc/88/04/80/363880480.db2.gz PLKVZQHLDNFGBT-IWSPIJDZSA-N 1 3 230.287 -0.571 20 0 BBADHO Cn1cc(CNCCOCCC[NH3+])cn1 ZINC000629398116 361047832 /nfs/dbraw/zinc/04/78/32/361047832.db2.gz MSLZKTMDASKCHG-UHFFFAOYSA-N 1 3 212.297 -0.125 20 0 BBADHO Cn1nccc1CNCCOCCC[NH3+] ZINC000629399189 361046775 /nfs/dbraw/zinc/04/67/75/361046775.db2.gz NWEXDTAKKOTNFH-UHFFFAOYSA-N 1 3 212.297 -0.125 20 0 BBADHO NC(=O)C[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000629504727 361099925 /nfs/dbraw/zinc/09/99/25/361099925.db2.gz APXMWUOUWFGNEM-LLVKDONJSA-N 1 3 241.335 -0.438 20 0 BBADHO NC(=O)C[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000629504728 361099897 /nfs/dbraw/zinc/09/98/97/361099897.db2.gz APXMWUOUWFGNEM-NSHDSACASA-N 1 3 241.335 -0.438 20 0 BBADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCCN(C)C1=O ZINC000629518391 361117783 /nfs/dbraw/zinc/11/77/83/361117783.db2.gz IOHOLJJCLJBNPT-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO COC[C@@H](CCC[NH3+])N[C@H]1CCCN(C)C1=O ZINC000629518392 361117768 /nfs/dbraw/zinc/11/77/68/361117768.db2.gz IOHOLJJCLJBNPT-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO COC[C@H](CCC[NH3+])N[C@H]1CCCN(C)C1=O ZINC000629518393 361118188 /nfs/dbraw/zinc/11/81/88/361118188.db2.gz IOHOLJJCLJBNPT-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCN(C)C1=O ZINC000629518394 361117683 /nfs/dbraw/zinc/11/76/83/361117683.db2.gz IOHOLJJCLJBNPT-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525184 361126023 /nfs/dbraw/zinc/12/60/23/361126023.db2.gz YOPWQGKNPUELGY-AATLWQCWSA-N 1 3 211.309 -0.033 20 0 BBADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525192 361126190 /nfs/dbraw/zinc/12/61/90/361126190.db2.gz YOPWQGKNPUELGY-KYXWUPHJSA-N 1 3 211.309 -0.033 20 0 BBADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525193 361125483 /nfs/dbraw/zinc/12/54/83/361125483.db2.gz YOPWQGKNPUELGY-XKNYDFJKSA-N 1 3 211.309 -0.033 20 0 BBADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525194 361125745 /nfs/dbraw/zinc/12/57/45/361125745.db2.gz YOPWQGKNPUELGY-ZYUZMQFOSA-N 1 3 211.309 -0.033 20 0 BBADHO CN1CCOC[C@H]1C[NH2+]C1CCNCC1 ZINC000629532439 361153400 /nfs/dbraw/zinc/15/34/00/361153400.db2.gz ARRIIZGJECZLLD-LLVKDONJSA-N 1 3 213.325 -0.341 20 0 BBADHO CN1CCOC[C@@H]1C[NH2+]C1CCNCC1 ZINC000629532440 361153437 /nfs/dbraw/zinc/15/34/37/361153437.db2.gz ARRIIZGJECZLLD-NSHDSACASA-N 1 3 213.325 -0.341 20 0 BBADHO CN1CCOC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000629532490 361152904 /nfs/dbraw/zinc/15/29/04/361152904.db2.gz DMFSXAPEJYQFDG-AXFHLTTASA-N 1 3 213.325 -0.214 20 0 BBADHO CN1CCOC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000629532491 361152579 /nfs/dbraw/zinc/15/25/79/361152579.db2.gz DMFSXAPEJYQFDG-DCAQKATOSA-N 1 3 213.325 -0.214 20 0 BBADHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000629532492 361152950 /nfs/dbraw/zinc/15/29/50/361152950.db2.gz DMFSXAPEJYQFDG-GARJFASQSA-N 1 3 213.325 -0.214 20 0 BBADHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000629532493 361152739 /nfs/dbraw/zinc/15/27/39/361152739.db2.gz DMFSXAPEJYQFDG-HBNTYKKESA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@@H]1CCNC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543415 361411946 /nfs/dbraw/zinc/41/19/46/361411946.db2.gz AWDMHDQXKFSMDN-IJLUTSLNSA-N 1 3 227.352 -0.359 20 0 BBADHO C[C@H]1CCNC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543416 361411087 /nfs/dbraw/zinc/41/10/87/361411087.db2.gz AWDMHDQXKFSMDN-QJPTWQEYSA-N 1 3 227.352 -0.359 20 0 BBADHO C[C@H]1CCNC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543417 361411060 /nfs/dbraw/zinc/41/10/60/361411060.db2.gz AWDMHDQXKFSMDN-TUAOUCFPSA-N 1 3 227.352 -0.359 20 0 BBADHO C[C@@H]1CCNC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543418 361411436 /nfs/dbraw/zinc/41/14/36/361411436.db2.gz AWDMHDQXKFSMDN-UTUOFQBUSA-N 1 3 227.352 -0.359 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NCCN2CC[C@@H](O)C2)C1 ZINC000629544144 361412661 /nfs/dbraw/zinc/41/26/61/361412661.db2.gz HHEXPXXREZRQQX-GRYCIOLGSA-N 1 3 227.352 -0.088 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CC[C@@H](O)C2)C1 ZINC000629544145 361412619 /nfs/dbraw/zinc/41/26/19/361412619.db2.gz HHEXPXXREZRQQX-IJLUTSLNSA-N 1 3 227.352 -0.088 20 0 BBADHO [NH3+][C@H]1CCC[C@@H](NCCN2CC[C@@H](O)C2)C1 ZINC000629544146 361413298 /nfs/dbraw/zinc/41/32/98/361413298.db2.gz HHEXPXXREZRQQX-QJPTWQEYSA-N 1 3 227.352 -0.088 20 0 BBADHO [NH3+][C@H]1CCC[C@H](NCCN2CC[C@@H](O)C2)C1 ZINC000629544147 361413074 /nfs/dbraw/zinc/41/30/74/361413074.db2.gz HHEXPXXREZRQQX-SDDRHHMPSA-N 1 3 227.352 -0.088 20 0 BBADHO O[C@@H]1CCN(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629544171 361414601 /nfs/dbraw/zinc/41/46/01/361414601.db2.gz HRMGTQCTFGYMHU-ZGVCCVRISA-N 1 3 239.363 -0.074 20 0 BBADHO NC[C@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544457 361423496 /nfs/dbraw/zinc/42/34/96/361423496.db2.gz IOPWVNIROXWKMS-IJLUTSLNSA-N 1 3 227.352 -0.230 20 0 BBADHO [NH3+]C[C@H]1CCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629544457 361423495 /nfs/dbraw/zinc/42/34/95/361423495.db2.gz IOPWVNIROXWKMS-IJLUTSLNSA-N 1 3 227.352 -0.230 20 0 BBADHO NC[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544458 361423608 /nfs/dbraw/zinc/42/36/08/361423608.db2.gz IOPWVNIROXWKMS-QJPTWQEYSA-N 1 3 227.352 -0.230 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629544458 361423604 /nfs/dbraw/zinc/42/36/04/361423604.db2.gz IOPWVNIROXWKMS-QJPTWQEYSA-N 1 3 227.352 -0.230 20 0 BBADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544459 361423660 /nfs/dbraw/zinc/42/36/60/361423660.db2.gz IOPWVNIROXWKMS-TUAOUCFPSA-N 1 3 227.352 -0.230 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629544459 361423656 /nfs/dbraw/zinc/42/36/56/361423656.db2.gz IOPWVNIROXWKMS-TUAOUCFPSA-N 1 3 227.352 -0.230 20 0 BBADHO NC[C@H]1CCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544461 361422971 /nfs/dbraw/zinc/42/29/71/361422971.db2.gz IOPWVNIROXWKMS-UTUOFQBUSA-N 1 3 227.352 -0.230 20 0 BBADHO [NH3+]C[C@H]1CCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629544461 361422968 /nfs/dbraw/zinc/42/29/68/361422968.db2.gz IOPWVNIROXWKMS-UTUOFQBUSA-N 1 3 227.352 -0.230 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NCCN1CC[C@@H](O)C1 ZINC000629545379 397968914 /nfs/dbraw/zinc/96/89/14/397968914.db2.gz MBHKVGSNRMJLGS-GARJFASQSA-N 1 3 215.341 -0.232 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CC[C@@H](O)C1 ZINC000629545384 397968801 /nfs/dbraw/zinc/96/88/01/397968801.db2.gz MBHKVGSNRMJLGS-GMTAPVOTSA-N 1 3 215.341 -0.232 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NCCN1CC[C@@H](O)C1 ZINC000629545385 397968921 /nfs/dbraw/zinc/96/89/21/397968921.db2.gz MBHKVGSNRMJLGS-HBNTYKKESA-N 1 3 215.341 -0.232 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CC[C@@H](O)C1 ZINC000629545386 397968817 /nfs/dbraw/zinc/96/88/17/397968817.db2.gz MBHKVGSNRMJLGS-OUAUKWLOSA-N 1 3 215.341 -0.232 20 0 BBADHO C[C@@H]1C[C@@H]1C[N@@H+](CCN)C[C@H](O)CO ZINC000629546816 361429561 /nfs/dbraw/zinc/42/95/61/361429561.db2.gz QKKQAAXMWIGEKD-BBBLOLIVSA-N 1 3 202.298 -0.744 20 0 BBADHO C[C@@H]1C[C@@H]1C[N@H+](CCN)C[C@H](O)CO ZINC000629546816 361429557 /nfs/dbraw/zinc/42/95/57/361429557.db2.gz QKKQAAXMWIGEKD-BBBLOLIVSA-N 1 3 202.298 -0.744 20 0 BBADHO C[C@@H]1C[C@H]1C[N@@H+](CCN)C[C@@H](O)CO ZINC000629546827 361428718 /nfs/dbraw/zinc/42/87/18/361428718.db2.gz QKKQAAXMWIGEKD-KXUCPTDWSA-N 1 3 202.298 -0.744 20 0 BBADHO C[C@@H]1C[C@H]1C[N@H+](CCN)C[C@@H](O)CO ZINC000629546827 361428716 /nfs/dbraw/zinc/42/87/16/361428716.db2.gz QKKQAAXMWIGEKD-KXUCPTDWSA-N 1 3 202.298 -0.744 20 0 BBADHO C[C@@H]1C[C@@H]1C[N@@H+](CCN)C[C@@H](O)CO ZINC000629546830 361429730 /nfs/dbraw/zinc/42/97/30/361429730.db2.gz QKKQAAXMWIGEKD-OPRDCNLKSA-N 1 3 202.298 -0.744 20 0 BBADHO C[C@@H]1C[C@@H]1C[N@H+](CCN)C[C@@H](O)CO ZINC000629546830 361429727 /nfs/dbraw/zinc/42/97/27/361429727.db2.gz QKKQAAXMWIGEKD-OPRDCNLKSA-N 1 3 202.298 -0.744 20 0 BBADHO C[C@@H]1C[C@H]1C[N@@H+](CCN)C[C@H](O)CO ZINC000629546832 361429006 /nfs/dbraw/zinc/42/90/06/361429006.db2.gz QKKQAAXMWIGEKD-UTLUCORTSA-N 1 3 202.298 -0.744 20 0 BBADHO C[C@@H]1C[C@H]1C[N@H+](CCN)C[C@H](O)CO ZINC000629546832 361429000 /nfs/dbraw/zinc/42/90/00/361429000.db2.gz QKKQAAXMWIGEKD-UTLUCORTSA-N 1 3 202.298 -0.744 20 0 BBADHO [NH3+][C@@H]1CCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629548234 361432586 /nfs/dbraw/zinc/43/25/86/361432586.db2.gz WQLAPBKMUFQYBF-GMTAPVOTSA-N 1 3 213.325 -0.478 20 0 BBADHO N[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548234 361432582 /nfs/dbraw/zinc/43/25/82/361432582.db2.gz WQLAPBKMUFQYBF-GMTAPVOTSA-N 1 3 213.325 -0.478 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629548253 361433013 /nfs/dbraw/zinc/43/30/13/361433013.db2.gz WQLAPBKMUFQYBF-MXWKQRLJSA-N 1 3 213.325 -0.478 20 0 BBADHO N[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548253 361433008 /nfs/dbraw/zinc/43/30/08/361433008.db2.gz WQLAPBKMUFQYBF-MXWKQRLJSA-N 1 3 213.325 -0.478 20 0 BBADHO [NH3+][C@H]1CCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629548257 361433160 /nfs/dbraw/zinc/43/31/60/361433160.db2.gz WQLAPBKMUFQYBF-OUAUKWLOSA-N 1 3 213.325 -0.478 20 0 BBADHO N[C@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548257 361433156 /nfs/dbraw/zinc/43/31/56/361433156.db2.gz WQLAPBKMUFQYBF-OUAUKWLOSA-N 1 3 213.325 -0.478 20 0 BBADHO [NH3+][C@H]1CCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629548259 361433394 /nfs/dbraw/zinc/43/33/94/361433394.db2.gz WQLAPBKMUFQYBF-VWYCJHECSA-N 1 3 213.325 -0.478 20 0 BBADHO N[C@H]1CCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548259 361433388 /nfs/dbraw/zinc/43/33/88/361433388.db2.gz WQLAPBKMUFQYBF-VWYCJHECSA-N 1 3 213.325 -0.478 20 0 BBADHO CC(C)[C@@H]1C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000629553648 361438553 /nfs/dbraw/zinc/43/85/53/361438553.db2.gz CCDALTQARXOZRC-NEPJUHHUSA-N 1 3 227.352 -0.095 20 0 BBADHO CC(C)[C@H]1C[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000629553649 361438445 /nfs/dbraw/zinc/43/84/45/361438445.db2.gz CCDALTQARXOZRC-NWDGAFQWSA-N 1 3 227.352 -0.095 20 0 BBADHO CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000629553650 361438474 /nfs/dbraw/zinc/43/84/74/361438474.db2.gz CCDALTQARXOZRC-RYUDHWBXSA-N 1 3 227.352 -0.095 20 0 BBADHO CC(C)[C@H]1C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000629553651 361439161 /nfs/dbraw/zinc/43/91/61/361439161.db2.gz CCDALTQARXOZRC-VXGBXAGGSA-N 1 3 227.352 -0.095 20 0 BBADHO C[C@@H](C[C@H]1COCCN1)N[C@@H]1CC[NH2+]C1 ZINC000629554633 361438743 /nfs/dbraw/zinc/43/87/43/361438743.db2.gz LLUACGOUEHYMOK-AXFHLTTASA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1CC[NH2+]C1 ZINC000629554634 361438991 /nfs/dbraw/zinc/43/89/91/361438991.db2.gz LLUACGOUEHYMOK-GMTAPVOTSA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@@H](C[C@@H]1COCCN1)N[C@@H]1CC[NH2+]C1 ZINC000629554635 361438680 /nfs/dbraw/zinc/43/86/80/361438680.db2.gz LLUACGOUEHYMOK-HBNTYKKESA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@H](C[C@H]1COCCN1)N[C@@H]1CC[NH2+]C1 ZINC000629554636 361438283 /nfs/dbraw/zinc/43/82/83/361438283.db2.gz LLUACGOUEHYMOK-MXWKQRLJSA-N 1 3 213.325 -0.295 20 0 BBADHO C1CC1[C@@H](N[C@@H]1CC[NH2+]C1)[C@@H]1CNCCO1 ZINC000629555281 361445853 /nfs/dbraw/zinc/44/58/53/361445853.db2.gz UCRMCWVYAZFGRD-GRYCIOLGSA-N 1 3 225.336 -0.295 20 0 BBADHO C1CC1[C@@H](N[C@@H]1CC[NH2+]C1)[C@H]1CNCCO1 ZINC000629555282 361446189 /nfs/dbraw/zinc/44/61/89/361446189.db2.gz UCRMCWVYAZFGRD-IJLUTSLNSA-N 1 3 225.336 -0.295 20 0 BBADHO C1CC1[C@H](N[C@@H]1CC[NH2+]C1)[C@H]1CNCCO1 ZINC000629555283 361446272 /nfs/dbraw/zinc/44/62/72/361446272.db2.gz UCRMCWVYAZFGRD-UTUOFQBUSA-N 1 3 225.336 -0.295 20 0 BBADHO C1CC1[C@H](N[C@@H]1CC[NH2+]C1)[C@@H]1CNCCO1 ZINC000629555284 361446210 /nfs/dbraw/zinc/44/62/10/361446210.db2.gz UCRMCWVYAZFGRD-WOPDTQHZSA-N 1 3 225.336 -0.295 20 0 BBADHO C[C@@H]1CCNC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555683 361447149 /nfs/dbraw/zinc/44/71/49/361447149.db2.gz AWDMHDQXKFSMDN-GRYCIOLGSA-N 1 3 227.352 -0.359 20 0 BBADHO C[C@H]1CCNC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555686 361447683 /nfs/dbraw/zinc/44/76/83/361447683.db2.gz AWDMHDQXKFSMDN-SDDRHHMPSA-N 1 3 227.352 -0.359 20 0 BBADHO C[C@H]1CCNC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555688 361447455 /nfs/dbraw/zinc/44/74/55/361447455.db2.gz AWDMHDQXKFSMDN-SRVKXCTJSA-N 1 3 227.352 -0.359 20 0 BBADHO C[C@@H]1CCNC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555692 361448160 /nfs/dbraw/zinc/44/81/60/361448160.db2.gz AWDMHDQXKFSMDN-WOPDTQHZSA-N 1 3 227.352 -0.359 20 0 BBADHO [NH3+][C@H]1CCC[C@H](NCCN2CC[C@H](O)C2)C1 ZINC000629555863 361449207 /nfs/dbraw/zinc/44/92/07/361449207.db2.gz HHEXPXXREZRQQX-SRVKXCTJSA-N 1 3 227.352 -0.088 20 0 BBADHO [NH3+][C@H]1CCC[C@@H](NCCN2CC[C@H](O)C2)C1 ZINC000629555864 361449040 /nfs/dbraw/zinc/44/90/40/361449040.db2.gz HHEXPXXREZRQQX-TUAOUCFPSA-N 1 3 227.352 -0.088 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CC[C@H](O)C2)C1 ZINC000629555866 361448129 /nfs/dbraw/zinc/44/81/29/361448129.db2.gz HHEXPXXREZRQQX-UTUOFQBUSA-N 1 3 227.352 -0.088 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NCCN2CC[C@H](O)C2)C1 ZINC000629555868 361448385 /nfs/dbraw/zinc/44/83/85/361448385.db2.gz HHEXPXXREZRQQX-WOPDTQHZSA-N 1 3 227.352 -0.088 20 0 BBADHO O[C@H]1CCN(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629555881 361448320 /nfs/dbraw/zinc/44/83/20/361448320.db2.gz HRMGTQCTFGYMHU-HNGCFSAESA-N 1 3 239.363 -0.074 20 0 BBADHO NC[C@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555913 361449178 /nfs/dbraw/zinc/44/91/78/361449178.db2.gz IOPWVNIROXWKMS-GRYCIOLGSA-N 1 3 227.352 -0.230 20 0 BBADHO [NH3+]C[C@H]1CCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629555913 361449174 /nfs/dbraw/zinc/44/91/74/361449174.db2.gz IOPWVNIROXWKMS-GRYCIOLGSA-N 1 3 227.352 -0.230 20 0 BBADHO NC[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555916 361448989 /nfs/dbraw/zinc/44/89/89/361448989.db2.gz IOPWVNIROXWKMS-SDDRHHMPSA-N 1 3 227.352 -0.230 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629555916 361448986 /nfs/dbraw/zinc/44/89/86/361448986.db2.gz IOPWVNIROXWKMS-SDDRHHMPSA-N 1 3 227.352 -0.230 20 0 BBADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555917 361448865 /nfs/dbraw/zinc/44/88/65/361448865.db2.gz IOPWVNIROXWKMS-SRVKXCTJSA-N 1 3 227.352 -0.230 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629555917 361448859 /nfs/dbraw/zinc/44/88/59/361448859.db2.gz IOPWVNIROXWKMS-SRVKXCTJSA-N 1 3 227.352 -0.230 20 0 BBADHO NC[C@H]1CCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555918 361449162 /nfs/dbraw/zinc/44/91/62/361449162.db2.gz IOPWVNIROXWKMS-WOPDTQHZSA-N 1 3 227.352 -0.230 20 0 BBADHO [NH3+]C[C@H]1CCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629555918 361449160 /nfs/dbraw/zinc/44/91/60/361449160.db2.gz IOPWVNIROXWKMS-WOPDTQHZSA-N 1 3 227.352 -0.230 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NCCN1CC[C@H](O)C1 ZINC000629556178 361448717 /nfs/dbraw/zinc/44/87/17/361448717.db2.gz MBHKVGSNRMJLGS-AXFHLTTASA-N 1 3 215.341 -0.232 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NCCN1CC[C@H](O)C1 ZINC000629556179 361448890 /nfs/dbraw/zinc/44/88/90/361448890.db2.gz MBHKVGSNRMJLGS-DCAQKATOSA-N 1 3 215.341 -0.232 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CC[C@H](O)C1 ZINC000629556180 361448373 /nfs/dbraw/zinc/44/83/73/361448373.db2.gz MBHKVGSNRMJLGS-MXWKQRLJSA-N 1 3 215.341 -0.232 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CC[C@H](O)C1 ZINC000629556181 361449074 /nfs/dbraw/zinc/44/90/74/361449074.db2.gz MBHKVGSNRMJLGS-VWYCJHECSA-N 1 3 215.341 -0.232 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629556654 361450326 /nfs/dbraw/zinc/45/03/26/361450326.db2.gz WQLAPBKMUFQYBF-AXFHLTTASA-N 1 3 213.325 -0.478 20 0 BBADHO N[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556654 361450324 /nfs/dbraw/zinc/45/03/24/361450324.db2.gz WQLAPBKMUFQYBF-AXFHLTTASA-N 1 3 213.325 -0.478 20 0 BBADHO [NH3+][C@H]1CCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629556655 361449626 /nfs/dbraw/zinc/44/96/26/361449626.db2.gz WQLAPBKMUFQYBF-DCAQKATOSA-N 1 3 213.325 -0.478 20 0 BBADHO N[C@H]1CCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556655 361449623 /nfs/dbraw/zinc/44/96/23/361449623.db2.gz WQLAPBKMUFQYBF-DCAQKATOSA-N 1 3 213.325 -0.478 20 0 BBADHO [NH3+][C@H]1CCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629556656 361450049 /nfs/dbraw/zinc/45/00/49/361450049.db2.gz WQLAPBKMUFQYBF-GARJFASQSA-N 1 3 213.325 -0.478 20 0 BBADHO N[C@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556656 361450045 /nfs/dbraw/zinc/45/00/45/361450045.db2.gz WQLAPBKMUFQYBF-GARJFASQSA-N 1 3 213.325 -0.478 20 0 BBADHO [NH3+][C@@H]1CCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629556658 361449687 /nfs/dbraw/zinc/44/96/87/361449687.db2.gz WQLAPBKMUFQYBF-HBNTYKKESA-N 1 3 213.325 -0.478 20 0 BBADHO N[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556658 361449681 /nfs/dbraw/zinc/44/96/81/361449681.db2.gz WQLAPBKMUFQYBF-HBNTYKKESA-N 1 3 213.325 -0.478 20 0 BBADHO CCN(CC[NH3+])C[C@@H]1CCC2(CNC2)O1 ZINC000629557974 361452110 /nfs/dbraw/zinc/45/21/10/361452110.db2.gz MCLJXGJOLGSWRL-JTQLQIEISA-N 1 3 213.325 -0.212 20 0 BBADHO CCN(CC[NH3+])C[C@H]1CCC2(CNC2)O1 ZINC000629557975 361451223 /nfs/dbraw/zinc/45/12/23/361451223.db2.gz MCLJXGJOLGSWRL-SNVBAGLBSA-N 1 3 213.325 -0.212 20 0 BBADHO CCN(CC[NH3+])CCC(=O)N1CCNCC1 ZINC000629558098 361453255 /nfs/dbraw/zinc/45/32/55/361453255.db2.gz QYWYCQGYKPHJQG-UHFFFAOYSA-N 1 3 228.340 -0.911 20 0 BBADHO CC[N@@H+](CCN)CCC(=O)N1CCN(C)CC1 ZINC000629558370 361452729 /nfs/dbraw/zinc/45/27/29/361452729.db2.gz YDIYRYGGVBIIQN-UHFFFAOYSA-N 1 3 242.367 -0.569 20 0 BBADHO CC[N@H+](CCN)CCC(=O)N1CCN(C)CC1 ZINC000629558370 361452727 /nfs/dbraw/zinc/45/27/27/361452727.db2.gz YDIYRYGGVBIIQN-UHFFFAOYSA-N 1 3 242.367 -0.569 20 0 BBADHO C[NH2+]CCOCCN(C)CCn1cncn1 ZINC000629569398 361461574 /nfs/dbraw/zinc/46/15/74/361461574.db2.gz BTZAKAXRBSAKKJ-UHFFFAOYSA-N 1 3 227.312 -0.554 20 0 BBADHO C[NH2+]CCOCCN(C)CCC(=O)N(C)C ZINC000629569862 584781649 /nfs/dbraw/zinc/78/16/49/584781649.db2.gz GHJGBGZKPFIGLT-UHFFFAOYSA-N 1 3 231.340 -0.368 20 0 BBADHO C[NH2+]CCOCCN(C)CCN1CCCC1=O ZINC000629570234 361459544 /nfs/dbraw/zinc/45/95/44/361459544.db2.gz ARSNNEWMVZYCTH-UHFFFAOYSA-N 1 3 243.351 -0.223 20 0 BBADHO C[NH2+]CCOCCN(C)CCN1CCOCC1 ZINC000629571681 361462623 /nfs/dbraw/zinc/46/26/23/361462623.db2.gz ZZTPJHYNOFJXKI-UHFFFAOYSA-N 1 3 245.367 -0.514 20 0 BBADHO C[NH2+]CCOCCN(C)C[C@H]1CNCCO1 ZINC000629571713 361462470 /nfs/dbraw/zinc/46/24/70/361462470.db2.gz HVYDQEZCXCBOHT-LLVKDONJSA-N 1 3 231.340 -0.857 20 0 BBADHO C[NH2+]CCOCCN(C)C[C@@H]1CNCCO1 ZINC000629571716 361463262 /nfs/dbraw/zinc/46/32/62/361463262.db2.gz HVYDQEZCXCBOHT-NSHDSACASA-N 1 3 231.340 -0.857 20 0 BBADHO CN(CCOCC[NH3+])Cc1ccn(C)c(=O)c1 ZINC000629577920 361467474 /nfs/dbraw/zinc/46/74/74/361467474.db2.gz FMSJAEXSTXJJRZ-UHFFFAOYSA-N 1 3 239.319 -0.208 20 0 BBADHO CN(CCOCC[NH3+])CCN1C(=O)CCC1=O ZINC000629579922 361466229 /nfs/dbraw/zinc/46/62/29/361466229.db2.gz YHWBUZBYOCSXAN-UHFFFAOYSA-N 1 3 243.307 -0.958 20 0 BBADHO C[C@H](CN1CCOCC1)N(C)CCOCC[NH3+] ZINC000629580424 361466137 /nfs/dbraw/zinc/46/61/37/361466137.db2.gz BOQUKZFMPMBWIR-GFCCVEGCSA-N 1 3 245.367 -0.386 20 0 BBADHO C[C@@H](CN1CCOCC1)N(C)CCOCC[NH3+] ZINC000629580425 361466444 /nfs/dbraw/zinc/46/64/44/361466444.db2.gz BOQUKZFMPMBWIR-LBPRGKRZSA-N 1 3 245.367 -0.386 20 0 BBADHO C[C@@H]1CN(CCN(C)CCOCC[NH3+])CCO1 ZINC000629580469 361464395 /nfs/dbraw/zinc/46/43/95/361464395.db2.gz CYVREMRYODLEIZ-GFCCVEGCSA-N 1 3 245.367 -0.386 20 0 BBADHO C[C@H]1CN(CCN(C)CCOCC[NH3+])CCO1 ZINC000629580470 361465086 /nfs/dbraw/zinc/46/50/86/361465086.db2.gz CYVREMRYODLEIZ-LBPRGKRZSA-N 1 3 245.367 -0.386 20 0 BBADHO CCN(C)C(=O)CCN(C)CCOCC[NH3+] ZINC000629580730 361469837 /nfs/dbraw/zinc/46/98/37/361469837.db2.gz FXHGPNYTUUAUFS-UHFFFAOYSA-N 1 3 231.340 -0.238 20 0 BBADHO COC[C@H](CN(C)CCOCC[NH3+])OC ZINC000629581412 361471638 /nfs/dbraw/zinc/47/16/38/361471638.db2.gz ZUOYCKVLNDXOKQ-JTQLQIEISA-N 1 3 220.313 -0.445 20 0 BBADHO COC[C@@H](CN(C)CCOCC[NH3+])OC ZINC000629581413 361471482 /nfs/dbraw/zinc/47/14/82/361471482.db2.gz ZUOYCKVLNDXOKQ-SNVBAGLBSA-N 1 3 220.313 -0.445 20 0 BBADHO CN(C[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582297 361472120 /nfs/dbraw/zinc/47/21/20/361472120.db2.gz RURWQVLBBMSDSA-BBBLOLIVSA-N 1 3 211.309 -0.208 20 0 BBADHO CN(C[C@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582298 361471972 /nfs/dbraw/zinc/47/19/72/361471972.db2.gz RURWQVLBBMSDSA-LPEHRKFASA-N 1 3 211.309 -0.208 20 0 BBADHO O[C@@H](CN[C@@H]1CCC[C@H]1O)C[NH+]1CCCC1 ZINC000629583320 361467448 /nfs/dbraw/zinc/46/74/48/361467448.db2.gz YUTRPSIEBGYRRO-QJPTWQEYSA-N 1 3 228.336 -0.054 20 0 BBADHO NC(=O)C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629583615 361467360 /nfs/dbraw/zinc/46/73/60/361467360.db2.gz GDQFFTADEXJYFC-GHMZBOCLSA-N 1 3 241.335 -0.438 20 0 BBADHO NC(=O)C[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629583616 361467544 /nfs/dbraw/zinc/46/75/44/361467544.db2.gz GDQFFTADEXJYFC-MNOVXSKESA-N 1 3 241.335 -0.438 20 0 BBADHO NC(=O)C[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629583617 361468129 /nfs/dbraw/zinc/46/81/29/361468129.db2.gz GDQFFTADEXJYFC-QWRGUYRKSA-N 1 3 241.335 -0.438 20 0 BBADHO NC(=O)C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629583618 361467262 /nfs/dbraw/zinc/46/72/62/361467262.db2.gz GDQFFTADEXJYFC-WDEREUQCSA-N 1 3 241.335 -0.438 20 0 BBADHO OC[C@H]1C=C[C@@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000629584694 361473443 /nfs/dbraw/zinc/47/34/43/361473443.db2.gz WBGISVLHHCOLHY-XQQFMLRXSA-N 1 3 240.347 -0.030 20 0 BBADHO OC[C@H]1C=C[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000629584698 361473560 /nfs/dbraw/zinc/47/35/60/361473560.db2.gz WBGISVLHHCOLHY-YNEHKIRRSA-N 1 3 240.347 -0.030 20 0 BBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1CNCCO1)C2 ZINC000629593181 361485066 /nfs/dbraw/zinc/48/50/66/361485066.db2.gz HMUAFKUKBVQVTL-RWMBFGLXSA-N 1 3 239.363 -0.094 20 0 BBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]1CNCCO1)C2 ZINC000629593182 361484730 /nfs/dbraw/zinc/48/47/30/361484730.db2.gz HMUAFKUKBVQVTL-UPJWGTAASA-N 1 3 239.363 -0.094 20 0 BBADHO CC(=O)NC[C@H]1CCCCN1CCOCC[NH3+] ZINC000629595090 361482358 /nfs/dbraw/zinc/48/23/58/361482358.db2.gz JLUIXVDBZGIXOD-GFCCVEGCSA-N 1 3 243.351 -0.048 20 0 BBADHO CC(=O)NC[C@@H]1CCCCN1CCOCC[NH3+] ZINC000629595091 361482420 /nfs/dbraw/zinc/48/24/20/361482420.db2.gz JLUIXVDBZGIXOD-LBPRGKRZSA-N 1 3 243.351 -0.048 20 0 BBADHO O[C@H](CNC[C@@H]1C[C@H](O)C1)C[NH+]1CCCC1 ZINC000629607940 361494620 /nfs/dbraw/zinc/49/46/20/361494620.db2.gz SYDOGPNVHNLUSA-GRYCIOLGSA-N 1 3 228.336 -0.196 20 0 BBADHO O[C@@H](CNC[C@@H]1C[C@H](O)C1)C[NH+]1CCCC1 ZINC000629607941 361494884 /nfs/dbraw/zinc/49/48/84/361494884.db2.gz SYDOGPNVHNLUSA-TUAOUCFPSA-N 1 3 228.336 -0.196 20 0 BBADHO CC[C@H](C(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000629611217 361501299 /nfs/dbraw/zinc/50/12/99/361501299.db2.gz QJDQXVSWRQGFKK-LLVKDONJSA-N 1 3 242.367 -0.652 20 0 BBADHO CC[C@@H](C(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000629611220 361501210 /nfs/dbraw/zinc/50/12/10/361501210.db2.gz QJDQXVSWRQGFKK-NSHDSACASA-N 1 3 242.367 -0.652 20 0 BBADHO CC[C@@H](C(=O)NCC[NH2+]CCOC)N(C)C ZINC000629611853 361502625 /nfs/dbraw/zinc/50/26/25/361502625.db2.gz IBRRYRJGHFKOOP-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO CC[C@H](C(=O)NCC[NH2+]CCOC)N(C)C ZINC000629611854 361502068 /nfs/dbraw/zinc/50/20/68/361502068.db2.gz IBRRYRJGHFKOOP-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO CC[C@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N(C)C ZINC000629612003 361502645 /nfs/dbraw/zinc/50/26/45/361502645.db2.gz OIHJYDSNANYSKI-AXFHLTTASA-N 1 3 243.351 -0.099 20 0 BBADHO CC[C@H](C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000629612004 361502122 /nfs/dbraw/zinc/50/21/22/361502122.db2.gz OIHJYDSNANYSKI-GMTAPVOTSA-N 1 3 243.351 -0.099 20 0 BBADHO CC[C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N(C)C ZINC000629612005 361502374 /nfs/dbraw/zinc/50/23/74/361502374.db2.gz OIHJYDSNANYSKI-HBNTYKKESA-N 1 3 243.351 -0.099 20 0 BBADHO CC[C@H](C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000629612006 361502355 /nfs/dbraw/zinc/50/23/55/361502355.db2.gz OIHJYDSNANYSKI-MXWKQRLJSA-N 1 3 243.351 -0.099 20 0 BBADHO CC[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)N(C)C ZINC000629612187 361502695 /nfs/dbraw/zinc/50/26/95/361502695.db2.gz WVMSZWGTDOJIJL-NXEZZACHSA-N 1 3 229.324 -0.487 20 0 BBADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N(C)C ZINC000629612188 361502799 /nfs/dbraw/zinc/50/27/99/361502799.db2.gz WVMSZWGTDOJIJL-UWVGGRQHSA-N 1 3 229.324 -0.487 20 0 BBADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N(C)C ZINC000629612189 361502081 /nfs/dbraw/zinc/50/20/81/361502081.db2.gz WVMSZWGTDOJIJL-VHSXEESVSA-N 1 3 229.324 -0.487 20 0 BBADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)N(C)C ZINC000629612190 361502197 /nfs/dbraw/zinc/50/21/97/361502197.db2.gz WVMSZWGTDOJIJL-ZJUUUORDSA-N 1 3 229.324 -0.487 20 0 BBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000629613269 361507621 /nfs/dbraw/zinc/50/76/21/361507621.db2.gz NZMPNBXHJPGARR-QCLAVDOMSA-N 1 3 211.309 -0.339 20 0 BBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000629613270 361507875 /nfs/dbraw/zinc/50/78/75/361507875.db2.gz NZMPNBXHJPGARR-RGOKHQFPSA-N 1 3 211.309 -0.339 20 0 BBADHO CC[C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)N(C)C ZINC000629613533 361507778 /nfs/dbraw/zinc/50/77/78/361507778.db2.gz CAKCHWCXNHMFQD-GHMZBOCLSA-N 1 3 243.351 -0.179 20 0 BBADHO CC[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)N(C)C ZINC000629613534 361507759 /nfs/dbraw/zinc/50/77/59/361507759.db2.gz CAKCHWCXNHMFQD-MNOVXSKESA-N 1 3 243.351 -0.179 20 0 BBADHO CC[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)N(C)C ZINC000629613535 361507490 /nfs/dbraw/zinc/50/74/90/361507490.db2.gz CAKCHWCXNHMFQD-QWRGUYRKSA-N 1 3 243.351 -0.179 20 0 BBADHO CC[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)N(C)C ZINC000629613536 361507769 /nfs/dbraw/zinc/50/77/69/361507769.db2.gz CAKCHWCXNHMFQD-WDEREUQCSA-N 1 3 243.351 -0.179 20 0 BBADHO CC[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)N(C)C ZINC000629614097 387714071 /nfs/dbraw/zinc/71/40/71/387714071.db2.gz YCDLANHGVGILDB-JTQLQIEISA-N 1 3 241.335 -0.473 20 0 BBADHO CC[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)N(C)C ZINC000629614098 387714359 /nfs/dbraw/zinc/71/43/59/387714359.db2.gz YCDLANHGVGILDB-SNVBAGLBSA-N 1 3 241.335 -0.473 20 0 BBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)N(C)C ZINC000629614277 387716251 /nfs/dbraw/zinc/71/62/51/387716251.db2.gz GBXUXXJTPITOIJ-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)N(C)C ZINC000629614278 387716146 /nfs/dbraw/zinc/71/61/46/387716146.db2.gz GBXUXXJTPITOIJ-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)N(C)C ZINC000629614279 387717359 /nfs/dbraw/zinc/71/73/59/387717359.db2.gz GBXUXXJTPITOIJ-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)N(C)C ZINC000629614280 387716643 /nfs/dbraw/zinc/71/66/43/387716643.db2.gz GBXUXXJTPITOIJ-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CC[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)N(C)C ZINC000629615082 361503388 /nfs/dbraw/zinc/50/33/88/361503388.db2.gz MBQRBCQLORRUBH-NXEZZACHSA-N 1 3 229.324 -0.569 20 0 BBADHO CC[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)N(C)C ZINC000629615083 361504202 /nfs/dbraw/zinc/50/42/02/361504202.db2.gz MBQRBCQLORRUBH-UWVGGRQHSA-N 1 3 229.324 -0.569 20 0 BBADHO CC[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)N(C)C ZINC000629615085 361503214 /nfs/dbraw/zinc/50/32/14/361503214.db2.gz MBQRBCQLORRUBH-VHSXEESVSA-N 1 3 229.324 -0.569 20 0 BBADHO CC[C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)N(C)C ZINC000629615086 361503818 /nfs/dbraw/zinc/50/38/18/361503818.db2.gz MBQRBCQLORRUBH-ZJUUUORDSA-N 1 3 229.324 -0.569 20 0 BBADHO CCN(CC[NH3+])C[C@H]1CCCN(C(=O)CN)C1 ZINC000629651021 361556144 /nfs/dbraw/zinc/55/61/44/361556144.db2.gz HDHXLAPUGOQILC-LLVKDONJSA-N 1 3 242.367 -0.536 20 0 BBADHO CCN(CC[NH3+])C[C@@H]1CCCN(C(=O)CN)C1 ZINC000629651023 361555886 /nfs/dbraw/zinc/55/58/86/361555886.db2.gz HDHXLAPUGOQILC-NSHDSACASA-N 1 3 242.367 -0.536 20 0 BBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2CCC[NH2+]C2)n1 ZINC000629653961 361554107 /nfs/dbraw/zinc/55/41/07/361554107.db2.gz SLVWDPXXZKHPAW-MRVPVSSYSA-N 1 3 237.307 -0.518 20 0 BBADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2CCC[NH2+]C2)n1 ZINC000629653962 361554268 /nfs/dbraw/zinc/55/42/68/361554268.db2.gz SLVWDPXXZKHPAW-QMMMGPOBSA-N 1 3 237.307 -0.518 20 0 BBADHO Cn1cncc1CNCCOCCC[NH3+] ZINC000629677741 361601123 /nfs/dbraw/zinc/60/11/23/361601123.db2.gz GEORCZHAKMRDJR-UHFFFAOYSA-N 1 3 212.297 -0.125 20 0 BBADHO FC1(CNCCN2CC[NH2+]CC2)CC1 ZINC000630343551 364065122 /nfs/dbraw/zinc/06/51/22/364065122.db2.gz BYKUQRRNSAHNLW-UHFFFAOYSA-N 1 3 201.289 -0.017 20 0 BBADHO [NH3+]CCOCc1cn(CCN2CCCC2)nn1 ZINC000630617718 364353140 /nfs/dbraw/zinc/35/31/40/364353140.db2.gz GVPNJYZCUVTJKP-UHFFFAOYSA-N 1 3 239.323 -0.151 20 0 BBADHO C[N@H+]1CC[C@@H]2CN(c3nc(N)nc(N)n3)C[C@@H]2C1 ZINC000631327514 372296932 /nfs/dbraw/zinc/29/69/32/372296932.db2.gz QIMLHIBABBYJKR-SFYZADRCSA-N 1 3 249.322 -0.915 20 0 BBADHO C[N@@H+]1CC[C@@H]2CN(c3nc(N)nc(N)n3)C[C@@H]2C1 ZINC000631327514 372296925 /nfs/dbraw/zinc/29/69/25/372296925.db2.gz QIMLHIBABBYJKR-SFYZADRCSA-N 1 3 249.322 -0.915 20 0 BBADHO C[C@@H]1OCC[C@@H]1CN(C)C[C@@H](O)C[NH3+] ZINC000631827563 372607717 /nfs/dbraw/zinc/60/77/17/372607717.db2.gz QLZIYRABZVHOHL-AEJSXWLSSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@@H]1C[N@@H+](C)C[C@@H](O)CN ZINC000631827563 372607715 /nfs/dbraw/zinc/60/77/15/372607715.db2.gz QLZIYRABZVHOHL-AEJSXWLSSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@@H]1C[N@H+](C)C[C@@H](O)CN ZINC000631827563 372607712 /nfs/dbraw/zinc/60/77/12/372607712.db2.gz QLZIYRABZVHOHL-AEJSXWLSSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@H]1CN(C)C[C@@H](O)C[NH3+] ZINC000631827564 372607455 /nfs/dbraw/zinc/60/74/55/372607455.db2.gz QLZIYRABZVHOHL-GUBZILKMSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@H]1C[N@@H+](C)C[C@@H](O)CN ZINC000631827564 372607451 /nfs/dbraw/zinc/60/74/51/372607451.db2.gz QLZIYRABZVHOHL-GUBZILKMSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@H]1C[N@H+](C)C[C@@H](O)CN ZINC000631827564 372607445 /nfs/dbraw/zinc/60/74/45/372607445.db2.gz QLZIYRABZVHOHL-GUBZILKMSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@@H]1CN(C)C[C@H](O)C[NH3+] ZINC000631827565 372605764 /nfs/dbraw/zinc/60/57/64/372605764.db2.gz QLZIYRABZVHOHL-IVZWLZJFSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@@H]1C[N@@H+](C)C[C@H](O)CN ZINC000631827565 372605760 /nfs/dbraw/zinc/60/57/60/372605760.db2.gz QLZIYRABZVHOHL-IVZWLZJFSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@@H]1C[N@H+](C)C[C@H](O)CN ZINC000631827565 372605756 /nfs/dbraw/zinc/60/57/56/372605756.db2.gz QLZIYRABZVHOHL-IVZWLZJFSA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@H]1CN(C)C[C@H](O)C[NH3+] ZINC000631827566 372606159 /nfs/dbraw/zinc/60/61/59/372606159.db2.gz QLZIYRABZVHOHL-LPEHRKFASA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@H]1C[N@@H+](C)C[C@H](O)CN ZINC000631827566 372606154 /nfs/dbraw/zinc/60/61/54/372606154.db2.gz QLZIYRABZVHOHL-LPEHRKFASA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@H]1C[N@H+](C)C[C@H](O)CN ZINC000631827566 372606151 /nfs/dbraw/zinc/60/61/51/372606151.db2.gz QLZIYRABZVHOHL-LPEHRKFASA-N 1 3 202.298 -0.337 20 0 BBADHO C[C@@H]1OCC[C@@H]1C[N@@H+](CCN)C[C@H](O)CO ZINC000631829009 372610789 /nfs/dbraw/zinc/61/07/89/372610789.db2.gz DMLNJEYVQKHPER-AXFHLTTASA-N 1 3 232.324 -0.975 20 0 BBADHO C[C@@H]1OCC[C@@H]1C[N@H+](CCN)C[C@H](O)CO ZINC000631829009 372610784 /nfs/dbraw/zinc/61/07/84/372610784.db2.gz DMLNJEYVQKHPER-AXFHLTTASA-N 1 3 232.324 -0.975 20 0 BBADHO C[C@@H]1OCC[C@H]1C[N@@H+](CCN)C[C@H](O)CO ZINC000631829010 372611964 /nfs/dbraw/zinc/61/19/64/372611964.db2.gz DMLNJEYVQKHPER-DCAQKATOSA-N 1 3 232.324 -0.975 20 0 BBADHO C[C@@H]1OCC[C@H]1C[N@H+](CCN)C[C@H](O)CO ZINC000631829010 372611960 /nfs/dbraw/zinc/61/19/60/372611960.db2.gz DMLNJEYVQKHPER-DCAQKATOSA-N 1 3 232.324 -0.975 20 0 BBADHO C[C@@H]1OCC[C@H]1C[N@@H+](CCN)C[C@@H](O)CO ZINC000631829011 372610658 /nfs/dbraw/zinc/61/06/58/372610658.db2.gz DMLNJEYVQKHPER-GARJFASQSA-N 1 3 232.324 -0.975 20 0 BBADHO C[C@@H]1OCC[C@H]1C[N@H+](CCN)C[C@@H](O)CO ZINC000631829011 372610652 /nfs/dbraw/zinc/61/06/52/372610652.db2.gz DMLNJEYVQKHPER-GARJFASQSA-N 1 3 232.324 -0.975 20 0 BBADHO C[C@@H]1OCC[C@@H]1C[N@@H+](CCN)C[C@@H](O)CO ZINC000631829012 372611857 /nfs/dbraw/zinc/61/18/57/372611857.db2.gz DMLNJEYVQKHPER-HBNTYKKESA-N 1 3 232.324 -0.975 20 0 BBADHO C[C@@H]1OCC[C@@H]1C[N@H+](CCN)C[C@@H](O)CO ZINC000631829012 372611850 /nfs/dbraw/zinc/61/18/50/372611850.db2.gz DMLNJEYVQKHPER-HBNTYKKESA-N 1 3 232.324 -0.975 20 0 BBADHO CN(CCOCC[NH3+])C[C@@H]1CCc2ncnn21 ZINC000631830422 372612735 /nfs/dbraw/zinc/61/27/35/372612735.db2.gz RKVSGJFVKNADIA-JTQLQIEISA-N 1 3 239.323 -0.328 20 0 BBADHO CN(CCOCC[NH3+])C[C@H]1CCc2ncnn21 ZINC000631830423 372613429 /nfs/dbraw/zinc/61/34/29/372613429.db2.gz RKVSGJFVKNADIA-SNVBAGLBSA-N 1 3 239.323 -0.328 20 0 BBADHO C[C@@H]1CN(CCn2cncn2)C[C@H]1C[NH3+] ZINC000631837160 372627928 /nfs/dbraw/zinc/62/79/28/372627928.db2.gz NQXSYTDNFMGOFU-NXEZZACHSA-N 1 3 209.297 -0.195 20 0 BBADHO C[C@@H]1CN(C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000631837252 372626963 /nfs/dbraw/zinc/62/69/63/372626963.db2.gz PUMGLBVDFYFTOU-GMTAPVOTSA-N 1 3 213.325 -0.499 20 0 BBADHO C[C@@H]1CN(C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000631837253 372627793 /nfs/dbraw/zinc/62/77/93/372627793.db2.gz PUMGLBVDFYFTOU-MXWKQRLJSA-N 1 3 213.325 -0.499 20 0 BBADHO C[C@@H]1C[N@@H+](CCC(=O)N(C)C)C[C@H]1CN ZINC000631838616 372634548 /nfs/dbraw/zinc/63/45/48/372634548.db2.gz RJYABOKFZAMFDQ-NXEZZACHSA-N 1 3 213.325 -0.009 20 0 BBADHO C[C@@H]1C[N@H+](CCC(=O)N(C)C)C[C@H]1CN ZINC000631838616 372634545 /nfs/dbraw/zinc/63/45/45/372634545.db2.gz RJYABOKFZAMFDQ-NXEZZACHSA-N 1 3 213.325 -0.009 20 0 BBADHO C[C@H]1CN(CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631839775 372636752 /nfs/dbraw/zinc/63/67/52/372636752.db2.gz KRWXUHBZBLWYEE-NWDGAFQWSA-N 1 3 227.352 -0.155 20 0 BBADHO C[C@@H]1CN(CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631839777 372635588 /nfs/dbraw/zinc/63/55/88/372635588.db2.gz KRWXUHBZBLWYEE-VXGBXAGGSA-N 1 3 227.352 -0.155 20 0 BBADHO C([C@@H]1CCC2(CNC2)O1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631848076 372645142 /nfs/dbraw/zinc/64/51/42/372645142.db2.gz MDNKMLXGYCFVGE-DCAQKATOSA-N 1 3 223.320 -0.447 20 0 BBADHO C([C@H]1CCC2(CNC2)O1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631848077 372644883 /nfs/dbraw/zinc/64/48/83/372644883.db2.gz MDNKMLXGYCFVGE-GARJFASQSA-N 1 3 223.320 -0.447 20 0 BBADHO C([C@@H]1CNCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852458 372652369 /nfs/dbraw/zinc/65/23/69/372652369.db2.gz QQRJQRXOFOXQPT-AXFHLTTASA-N 1 3 211.309 -0.589 20 0 BBADHO C([C@H]1CNCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852459 372652462 /nfs/dbraw/zinc/65/24/62/372652462.db2.gz QQRJQRXOFOXQPT-OUAUKWLOSA-N 1 3 211.309 -0.589 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1CCC(=O)N1CCNCC1 ZINC000631861162 369469672 /nfs/dbraw/zinc/46/96/72/369469672.db2.gz WQHSYQDFGFAZNE-GHMZBOCLSA-N 1 3 240.351 -0.770 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1CCC(=O)N1CCNCC1 ZINC000631861163 369469350 /nfs/dbraw/zinc/46/93/50/369469350.db2.gz WQHSYQDFGFAZNE-MNOVXSKESA-N 1 3 240.351 -0.770 20 0 BBADHO C[C@H]1C[C@H]([NH3+])CN1CCC(=O)N1CCNCC1 ZINC000631861164 369470101 /nfs/dbraw/zinc/47/01/01/369470101.db2.gz WQHSYQDFGFAZNE-QWRGUYRKSA-N 1 3 240.351 -0.770 20 0 BBADHO C[C@H]1C[C@@H]([NH3+])CN1CCC(=O)N1CCNCC1 ZINC000631861165 369469568 /nfs/dbraw/zinc/46/95/68/369469568.db2.gz WQHSYQDFGFAZNE-WDEREUQCSA-N 1 3 240.351 -0.770 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CCC2(CNC2)O1 ZINC000631863387 369609316 /nfs/dbraw/zinc/60/93/16/369609316.db2.gz ZRGUFRSNVKGRLQ-GMTAPVOTSA-N 1 3 225.336 -0.071 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CCC2(CNC2)O1 ZINC000631863389 369609143 /nfs/dbraw/zinc/60/91/43/369609143.db2.gz ZRGUFRSNVKGRLQ-MXWKQRLJSA-N 1 3 225.336 -0.071 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCC2(CNC2)O1 ZINC000631863390 369609460 /nfs/dbraw/zinc/60/94/60/369609460.db2.gz ZRGUFRSNVKGRLQ-OUAUKWLOSA-N 1 3 225.336 -0.071 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CCC2(CNC2)O1 ZINC000631863391 369609566 /nfs/dbraw/zinc/60/95/66/369609566.db2.gz ZRGUFRSNVKGRLQ-VWYCJHECSA-N 1 3 225.336 -0.071 20 0 BBADHO C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CNCCO1 ZINC000631867072 372667945 /nfs/dbraw/zinc/66/79/45/372667945.db2.gz IOTNGZXNKBZDJX-UTUOFQBUSA-N 1 3 225.336 -0.294 20 0 BBADHO C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CNCCO1 ZINC000631867073 372667791 /nfs/dbraw/zinc/66/77/91/372667791.db2.gz IOTNGZXNKBZDJX-WOPDTQHZSA-N 1 3 225.336 -0.294 20 0 BBADHO [NH3+]CCNS(=O)(=O)CCCN1CCCC1 ZINC000631899860 362797351 /nfs/dbraw/zinc/79/73/51/362797351.db2.gz ACJRMJQEWNWPBU-UHFFFAOYSA-N 1 3 235.353 -0.650 20 0 BBADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000631900118 372688927 /nfs/dbraw/zinc/68/89/27/372688927.db2.gz IDDFZBQWIWNLDK-JTQLQIEISA-N 1 3 249.380 -0.309 20 0 BBADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000631900119 372688115 /nfs/dbraw/zinc/68/81/15/372688115.db2.gz IDDFZBQWIWNLDK-SNVBAGLBSA-N 1 3 249.380 -0.309 20 0 BBADHO CN(C)CCCS(=O)(=O)NC1CC[NH2+]CC1 ZINC000631900180 372688175 /nfs/dbraw/zinc/68/81/75/372688175.db2.gz JQCXXRPVCDOMIV-UHFFFAOYSA-N 1 3 249.380 -0.391 20 0 BBADHO CN(C)CCCS(=O)(=O)NCCC[NH3+] ZINC000631900492 372688063 /nfs/dbraw/zinc/68/80/63/372688063.db2.gz BSPNOVAXOYRUMQ-UHFFFAOYSA-N 1 3 223.342 -0.794 20 0 BBADHO [NH3+]CCCNS(=O)(=O)CCCN1CCCC1 ZINC000631901133 372689077 /nfs/dbraw/zinc/68/90/77/372689077.db2.gz RSVBLRAEMDJIJK-UHFFFAOYSA-N 1 3 249.380 -0.260 20 0 BBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000631901161 372687707 /nfs/dbraw/zinc/68/77/07/372687707.db2.gz SRSUCWWCIHENAK-SECBINFHSA-N 1 3 235.353 -0.699 20 0 BBADHO C[NH+](C)CCCS(=O)(=O)N1CCCNCC1 ZINC000631901292 372688760 /nfs/dbraw/zinc/68/87/60/372688760.db2.gz XYPPTYYMAZUFMA-UHFFFAOYSA-N 1 3 249.380 -0.437 20 0 BBADHO C[NH2+][C@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631901331 362905473 /nfs/dbraw/zinc/90/54/73/362905473.db2.gz ZETVMWPACURVSW-JTQLQIEISA-N 1 3 249.380 -0.438 20 0 BBADHO C[NH2+][C@@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631901332 362905272 /nfs/dbraw/zinc/90/52/72/362905272.db2.gz ZETVMWPACURVSW-SNVBAGLBSA-N 1 3 249.380 -0.438 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000631901361 372687973 /nfs/dbraw/zinc/68/79/73/372687973.db2.gz ZZXYWQFSEYIKDK-JTQLQIEISA-N 1 3 249.380 -0.391 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000631901362 372688363 /nfs/dbraw/zinc/68/83/63/372688363.db2.gz ZZXYWQFSEYIKDK-SNVBAGLBSA-N 1 3 249.380 -0.391 20 0 BBADHO C[NH2+]CCCNS(=O)(=O)CCCN(C)C ZINC000631901504 372687890 /nfs/dbraw/zinc/68/78/90/372687890.db2.gz FUIQVHGYTKWVMA-UHFFFAOYSA-N 1 3 237.369 -0.533 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000631901975 372690092 /nfs/dbraw/zinc/69/00/92/372690092.db2.gz QRIVPXVBUZAPTR-SECBINFHSA-N 1 3 235.353 -0.781 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000631901976 372690585 /nfs/dbraw/zinc/69/05/85/372690585.db2.gz QRIVPXVBUZAPTR-VIFPVBQESA-N 1 3 235.353 -0.781 20 0 BBADHO C[NH2+]CCNS(=O)(=O)CCCN(C)C ZINC000631902575 362907633 /nfs/dbraw/zinc/90/76/33/362907633.db2.gz LRYUIZCTYJYOBN-UHFFFAOYSA-N 1 3 223.342 -0.923 20 0 BBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000631902702 362908977 /nfs/dbraw/zinc/90/89/77/362908977.db2.gz PADZFXAAKWVNTA-JTQLQIEISA-N 1 3 249.380 -0.452 20 0 BBADHO CN(C)CCCS(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000631902703 362909383 /nfs/dbraw/zinc/90/93/83/362909383.db2.gz PADZFXAAKWVNTA-SNVBAGLBSA-N 1 3 249.380 -0.452 20 0 BBADHO C[NH2+]CCNS(=O)(=O)CCCN1CCCC1 ZINC000631902708 362909067 /nfs/dbraw/zinc/90/90/67/362909067.db2.gz PBZLLRSIGVERSA-UHFFFAOYSA-N 1 3 249.380 -0.389 20 0 BBADHO C[C@H]([NH3+])CCNS(=O)(=O)CCCN(C)C ZINC000631902743 362910035 /nfs/dbraw/zinc/91/00/35/362910035.db2.gz PKCITDSCZLXFHX-VIFPVBQESA-N 1 3 237.369 -0.405 20 0 BBADHO CN(C)CCCS(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000631902868 372689049 /nfs/dbraw/zinc/68/90/49/372689049.db2.gz SRSUCWWCIHENAK-VIFPVBQESA-N 1 3 235.353 -0.699 20 0 BBADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000631903190 372689750 /nfs/dbraw/zinc/68/97/50/372689750.db2.gz AYWAVJOPLKDFGC-JTQLQIEISA-N 1 3 249.380 -0.391 20 0 BBADHO CN(C)CCCS(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000631903191 372690881 /nfs/dbraw/zinc/69/08/81/372690881.db2.gz AYWAVJOPLKDFGC-SNVBAGLBSA-N 1 3 249.380 -0.391 20 0 BBADHO CN(C)CCCS(=O)(=O)NCC[NH2+]C1CC1 ZINC000631903259 372689842 /nfs/dbraw/zinc/68/98/42/372689842.db2.gz CYHHVWOPVKWIPU-UHFFFAOYSA-N 1 3 249.380 -0.391 20 0 BBADHO CC[NH2+]CCNS(=O)(=O)CCCN(C)C ZINC000631903543 372690225 /nfs/dbraw/zinc/69/02/25/372690225.db2.gz LRSWHZVINGPYSM-UHFFFAOYSA-N 1 3 237.369 -0.533 20 0 BBADHO CN(C)CCCS(=O)(=O)NC(C)(C)C[NH3+] ZINC000631903914 372690291 /nfs/dbraw/zinc/69/02/91/372690291.db2.gz YQYAIEKZMZBUIT-UHFFFAOYSA-N 1 3 237.369 -0.405 20 0 BBADHO C[C@H](C[NH3+])N(C)S(=O)(=O)CCCN(C)C ZINC000631904562 372691020 /nfs/dbraw/zinc/69/10/20/372691020.db2.gz RMXDWQPBIMSVBX-SECBINFHSA-N 1 3 237.369 -0.453 20 0 BBADHO C[C@@H](C[NH3+])N(C)S(=O)(=O)CCCN(C)C ZINC000631904563 372690513 /nfs/dbraw/zinc/69/05/13/372690513.db2.gz RMXDWQPBIMSVBX-VIFPVBQESA-N 1 3 237.369 -0.453 20 0 BBADHO CN(C)CCCS(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000631904778 362916335 /nfs/dbraw/zinc/91/63/35/362916335.db2.gz YKGWOBKLHREQQF-JTQLQIEISA-N 1 3 249.380 -0.438 20 0 BBADHO CN(C)CCCS(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000631904779 362915795 /nfs/dbraw/zinc/91/57/95/362915795.db2.gz YKGWOBKLHREQQF-SNVBAGLBSA-N 1 3 249.380 -0.438 20 0 BBADHO CN(C)CCCS(=O)(=O)N(C)CCC[NH3+] ZINC000631905728 362919640 /nfs/dbraw/zinc/91/96/40/362919640.db2.gz UMWLLBIKBXTDHY-UHFFFAOYSA-N 1 3 237.369 -0.452 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000631906153 372692650 /nfs/dbraw/zinc/69/26/50/372692650.db2.gz FGWKZBLYNCGJCW-JTQLQIEISA-N 1 3 249.380 -0.405 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000631906154 372692003 /nfs/dbraw/zinc/69/20/03/372692003.db2.gz FGWKZBLYNCGJCW-SNVBAGLBSA-N 1 3 249.380 -0.405 20 0 BBADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000631906911 362921701 /nfs/dbraw/zinc/92/17/01/362921701.db2.gz YOQILMUKXHGTKA-SNVBAGLBSA-N 1 3 249.380 -0.309 20 0 BBADHO CN(C)CCCS(=O)(=O)NCC(C)(C)[NH3+] ZINC000631906940 362920519 /nfs/dbraw/zinc/92/05/19/362920519.db2.gz ZDPFOIRZQJUIOR-UHFFFAOYSA-N 1 3 237.369 -0.405 20 0 BBADHO C[C@H](C[NH3+])NS(=O)(=O)CCCN(C)C ZINC000631929453 372697114 /nfs/dbraw/zinc/69/71/14/372697114.db2.gz GIDUXQHALPZCKF-MRVPVSSYSA-N 1 3 223.342 -0.795 20 0 BBADHO C[C@H](C[NH3+])NS(=O)(=O)CCCN1CCCC1 ZINC000631929674 372697002 /nfs/dbraw/zinc/69/70/02/372697002.db2.gz LRTRYJMBNVONON-SNVBAGLBSA-N 1 3 249.380 -0.261 20 0 BBADHO CN(C)CCCS(=O)(=O)NCC1([NH3+])CCC1 ZINC000631930012 372697162 /nfs/dbraw/zinc/69/71/62/372697162.db2.gz UQPZVOGONKPYMT-UHFFFAOYSA-N 1 3 249.380 -0.261 20 0 BBADHO C[C@H](C[NH3+])CNS(=O)(=O)CCCN(C)C ZINC000631931351 372697018 /nfs/dbraw/zinc/69/70/18/372697018.db2.gz IUXWJQHTSMQTIS-SECBINFHSA-N 1 3 237.369 -0.548 20 0 BBADHO C[C@@H](C[NH3+])CNS(=O)(=O)CCCN(C)C ZINC000631931352 372697039 /nfs/dbraw/zinc/69/70/39/372697039.db2.gz IUXWJQHTSMQTIS-VIFPVBQESA-N 1 3 237.369 -0.548 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000631931394 372697128 /nfs/dbraw/zinc/69/71/28/372697128.db2.gz JLMPDJKRGOTMGG-KYZUINATSA-N 1 3 235.353 -0.653 20 0 BBADHO CN(C)CCCS(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000631931717 362974557 /nfs/dbraw/zinc/97/45/57/362974557.db2.gz MRAULMQKYVKTGU-JTQLQIEISA-N 1 3 249.380 -0.405 20 0 BBADHO CN(C)CCCS(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000631931718 362974441 /nfs/dbraw/zinc/97/44/41/362974441.db2.gz MRAULMQKYVKTGU-SNVBAGLBSA-N 1 3 249.380 -0.405 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000631931902 372696855 /nfs/dbraw/zinc/69/68/55/372696855.db2.gz JLMPDJKRGOTMGG-DTORHVGOSA-N 1 3 235.353 -0.653 20 0 BBADHO C[C@H]([NH3+])CNS(=O)(=O)CCCN1CCCC1 ZINC000631932767 372696749 /nfs/dbraw/zinc/69/67/49/372696749.db2.gz RIUGNLREQNYXFU-JTQLQIEISA-N 1 3 249.380 -0.261 20 0 BBADHO C[C@@H]([NH3+])CNS(=O)(=O)CCCN1CCCC1 ZINC000631932768 372696309 /nfs/dbraw/zinc/69/63/09/372696309.db2.gz RIUGNLREQNYXFU-SNVBAGLBSA-N 1 3 249.380 -0.261 20 0 BBADHO C[C@@H]1CN(S(=O)(=O)CCCN(C)C)C[C@H]1[NH3+] ZINC000631932779 372696804 /nfs/dbraw/zinc/69/68/04/372696804.db2.gz RPKZRRBBYMTPAJ-NXEZZACHSA-N 1 3 249.380 -0.453 20 0 BBADHO C[C@H](CC[NH3+])NS(=O)(=O)CCCN(C)C ZINC000631932811 372696501 /nfs/dbraw/zinc/69/65/01/372696501.db2.gz ZPWHDSOUTPVWLC-SECBINFHSA-N 1 3 237.369 -0.405 20 0 BBADHO C[C@@H](CC[NH3+])NS(=O)(=O)CCCN(C)C ZINC000631932812 372696413 /nfs/dbraw/zinc/69/64/13/372696413.db2.gz ZPWHDSOUTPVWLC-VIFPVBQESA-N 1 3 237.369 -0.405 20 0 BBADHO C[C@@H]([NH3+])CNS(=O)(=O)CCCN(C)C ZINC000631932988 372697934 /nfs/dbraw/zinc/69/79/34/372697934.db2.gz XTFWTDNBITZSBV-MRVPVSSYSA-N 1 3 223.342 -0.795 20 0 BBADHO C[C@H]([NH3+])CNS(=O)(=O)CCCN(C)C ZINC000631932989 372698011 /nfs/dbraw/zinc/69/80/11/372698011.db2.gz XTFWTDNBITZSBV-QMMMGPOBSA-N 1 3 223.342 -0.795 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CCCN(C)C ZINC000631938252 372697630 /nfs/dbraw/zinc/69/76/30/372697630.db2.gz ZAZSGJOXABQVNP-UWVGGRQHSA-N 1 3 249.380 -0.311 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000631938565 362995238 /nfs/dbraw/zinc/99/52/38/362995238.db2.gz HGXBCSNEDNIEFT-MYJAWHEDSA-N 1 3 247.364 -0.925 20 0 BBADHO CN(C)CCCS(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000631939665 372699685 /nfs/dbraw/zinc/69/96/85/372699685.db2.gz GHTSWDMPVMESFA-UHFFFAOYSA-N 1 3 249.380 -0.311 20 0 BBADHO CC[C@@H]([NH3+])CNS(=O)(=O)CCCN(C)C ZINC000631940085 372700198 /nfs/dbraw/zinc/70/01/98/372700198.db2.gz PFZSTSFDPFRGTA-SECBINFHSA-N 1 3 237.369 -0.405 20 0 BBADHO CC[C@H]([NH3+])CNS(=O)(=O)CCCN(C)C ZINC000631940086 372699310 /nfs/dbraw/zinc/69/93/10/372699310.db2.gz PFZSTSFDPFRGTA-VIFPVBQESA-N 1 3 237.369 -0.405 20 0 BBADHO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)CCCN(C)C ZINC000631940347 372699827 /nfs/dbraw/zinc/69/98/27/372699827.db2.gz UIPQEURVCRTWJN-BDAKNGLRSA-N 1 3 237.369 -0.407 20 0 BBADHO C[C@@H](NS(=O)(=O)CCCN(C)C)[C@H](C)[NH3+] ZINC000631940348 372699285 /nfs/dbraw/zinc/69/92/85/372699285.db2.gz UIPQEURVCRTWJN-DTWKUNHWSA-N 1 3 237.369 -0.407 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)CCCN(C)C ZINC000631940349 372699702 /nfs/dbraw/zinc/69/97/02/372699702.db2.gz UIPQEURVCRTWJN-IUCAKERBSA-N 1 3 237.369 -0.407 20 0 BBADHO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)CCCN(C)C ZINC000631940350 372700277 /nfs/dbraw/zinc/70/02/77/372700277.db2.gz UIPQEURVCRTWJN-RKDXNWHRSA-N 1 3 237.369 -0.407 20 0 BBADHO CN(C)CCCS(=O)(=O)N(C)CC[NH3+] ZINC000631944602 372701418 /nfs/dbraw/zinc/70/14/18/372701418.db2.gz BEURZZONUYTWHX-UHFFFAOYSA-N 1 3 223.342 -0.842 20 0 BBADHO CN(CC[NH3+])S(=O)(=O)CCCN1CCCC1 ZINC000631944896 372701947 /nfs/dbraw/zinc/70/19/47/372701947.db2.gz KIPLONJCBXVPDM-UHFFFAOYSA-N 1 3 249.380 -0.307 20 0 BBADHO C[NH2+]C[C@@H](C)NS(=O)(=O)CCCN(C)C ZINC000631952529 372703076 /nfs/dbraw/zinc/70/30/76/372703076.db2.gz LCZLTCUFNBZAOZ-SECBINFHSA-N 1 3 237.369 -0.535 20 0 BBADHO C[NH2+]C[C@H](C)NS(=O)(=O)CCCN(C)C ZINC000631952530 372703109 /nfs/dbraw/zinc/70/31/09/372703109.db2.gz LCZLTCUFNBZAOZ-VIFPVBQESA-N 1 3 237.369 -0.535 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000631953823 372703704 /nfs/dbraw/zinc/70/37/04/372703704.db2.gz STNDDJBANLQKSD-JTQLQIEISA-N 1 3 249.380 -0.391 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000631953824 372703039 /nfs/dbraw/zinc/70/30/39/372703039.db2.gz STNDDJBANLQKSD-SNVBAGLBSA-N 1 3 249.380 -0.391 20 0 BBADHO CCN(CC[NH3+])S(=O)(=O)CCCN(C)C ZINC000631954377 372702996 /nfs/dbraw/zinc/70/29/96/372702996.db2.gz JWFAYXBEKYIXSN-UHFFFAOYSA-N 1 3 237.369 -0.452 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)CCCN(C)C ZINC000631958514 372704918 /nfs/dbraw/zinc/70/49/18/372704918.db2.gz VLMZHFPEGFPHIK-VHSXEESVSA-N 1 3 249.380 -0.392 20 0 BBADHO CN(C)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631969088 372708085 /nfs/dbraw/zinc/70/80/85/372708085.db2.gz OTQSWSWEWGFDIH-UWVGGRQHSA-N 1 3 247.364 -0.686 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CCCN(C)C ZINC000631975307 372710843 /nfs/dbraw/zinc/71/08/43/372710843.db2.gz HRMHUJMWELHUDA-NXEZZACHSA-N 1 3 249.380 -0.311 20 0 BBADHO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)CCCN(C)C ZINC000631975308 372710780 /nfs/dbraw/zinc/71/07/80/372710780.db2.gz HRMHUJMWELHUDA-UWVGGRQHSA-N 1 3 249.380 -0.311 20 0 BBADHO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CCCN(C)C ZINC000631975309 372710885 /nfs/dbraw/zinc/71/08/85/372710885.db2.gz HRMHUJMWELHUDA-VHSXEESVSA-N 1 3 249.380 -0.311 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)CCCN(C)C ZINC000631975310 372710907 /nfs/dbraw/zinc/71/09/07/372710907.db2.gz HRMHUJMWELHUDA-ZJUUUORDSA-N 1 3 249.380 -0.311 20 0 BBADHO C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632854464 373192138 /nfs/dbraw/zinc/19/21/38/373192138.db2.gz GSIZVROBEULPRP-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632854465 373191582 /nfs/dbraw/zinc/19/15/82/373191582.db2.gz GSIZVROBEULPRP-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632854466 373192167 /nfs/dbraw/zinc/19/21/67/373192167.db2.gz GSIZVROBEULPRP-GUBZILKMSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632854467 373191928 /nfs/dbraw/zinc/19/19/28/373191928.db2.gz GSIZVROBEULPRP-IVZWLZJFSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632854468 373191188 /nfs/dbraw/zinc/19/11/88/373191188.db2.gz GSIZVROBEULPRP-KXUCPTDWSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632854469 373191690 /nfs/dbraw/zinc/19/16/90/373191690.db2.gz GSIZVROBEULPRP-LPEHRKFASA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632854470 373191466 /nfs/dbraw/zinc/19/14/66/373191466.db2.gz GSIZVROBEULPRP-OPRDCNLKSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632854471 373191413 /nfs/dbraw/zinc/19/14/13/373191413.db2.gz GSIZVROBEULPRP-UTLUCORTSA-N 1 3 211.309 -0.066 20 0 BBADHO CNCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632855203 373191156 /nfs/dbraw/zinc/19/11/56/373191156.db2.gz PCVOCYRSAJPHSR-NXEZZACHSA-N 1 3 211.309 -0.194 20 0 BBADHO CNCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632855204 373191426 /nfs/dbraw/zinc/19/14/26/373191426.db2.gz PCVOCYRSAJPHSR-UWVGGRQHSA-N 1 3 211.309 -0.194 20 0 BBADHO CNCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632855205 373191123 /nfs/dbraw/zinc/19/11/23/373191123.db2.gz PCVOCYRSAJPHSR-VHSXEESVSA-N 1 3 211.309 -0.194 20 0 BBADHO CNCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632855206 373191796 /nfs/dbraw/zinc/19/17/96/373191796.db2.gz PCVOCYRSAJPHSR-ZJUUUORDSA-N 1 3 211.309 -0.194 20 0 BBADHO C[C@@H](CNC(=O)NCC[NH2+]C1CC1)N(C)C ZINC000633659370 373665318 /nfs/dbraw/zinc/66/53/18/373665318.db2.gz OLZFGJRHPAZTAC-VIFPVBQESA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634688637 343249111 /nfs/dbraw/zinc/24/91/11/343249111.db2.gz ZGPUAGOAABXZEC-AXFHLTTASA-N 1 3 214.309 -0.465 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688637 343249110 /nfs/dbraw/zinc/24/91/10/343249110.db2.gz ZGPUAGOAABXZEC-AXFHLTTASA-N 1 3 214.309 -0.465 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688637 343249109 /nfs/dbraw/zinc/24/91/09/343249109.db2.gz ZGPUAGOAABXZEC-AXFHLTTASA-N 1 3 214.309 -0.465 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634688638 385206888 /nfs/dbraw/zinc/20/68/88/385206888.db2.gz ZGPUAGOAABXZEC-OUAUKWLOSA-N 1 3 214.309 -0.465 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688638 385206884 /nfs/dbraw/zinc/20/68/84/385206884.db2.gz ZGPUAGOAABXZEC-OUAUKWLOSA-N 1 3 214.309 -0.465 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688638 385206881 /nfs/dbraw/zinc/20/68/81/385206881.db2.gz ZGPUAGOAABXZEC-OUAUKWLOSA-N 1 3 214.309 -0.465 20 0 BBADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@@H](CO)C1)C1CC1 ZINC000634725240 343945950 /nfs/dbraw/zinc/94/59/50/343945950.db2.gz MFJZFDRXZOXKSQ-JFGNBEQYSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@@H](CO)C1)C1CC1 ZINC000634725240 343945947 /nfs/dbraw/zinc/94/59/47/343945947.db2.gz MFJZFDRXZOXKSQ-JFGNBEQYSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@@H](CO)C1)C1CC1 ZINC000634725241 343945967 /nfs/dbraw/zinc/94/59/67/343945967.db2.gz MFJZFDRXZOXKSQ-UMNHJUIQSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@@H](CO)C1)C1CC1 ZINC000634725241 343945964 /nfs/dbraw/zinc/94/59/64/343945964.db2.gz MFJZFDRXZOXKSQ-UMNHJUIQSA-N 1 3 228.336 -0.198 20 0 BBADHO OC[C@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000634725435 343945614 /nfs/dbraw/zinc/94/56/14/343945614.db2.gz SZUSXRIPWQRRMC-GRYCIOLGSA-N 1 3 228.336 -0.196 20 0 BBADHO OC[C@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000634725436 343945569 /nfs/dbraw/zinc/94/55/69/343945569.db2.gz SZUSXRIPWQRRMC-TUAOUCFPSA-N 1 3 228.336 -0.196 20 0 BBADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCC[C@@H]1O)C1CC1 ZINC000634728515 490296875 /nfs/dbraw/zinc/29/68/75/490296875.db2.gz DJZXTAWNUHSTAQ-SRVKXCTJSA-N 1 3 228.336 -0.056 20 0 BBADHO C[N@H+](C[C@@H](O)CN[C@H]1CCC[C@@H]1O)C1CC1 ZINC000634728515 490296872 /nfs/dbraw/zinc/29/68/72/490296872.db2.gz DJZXTAWNUHSTAQ-SRVKXCTJSA-N 1 3 228.336 -0.056 20 0 BBADHO O[C@@H](CN[C@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000634729148 344005088 /nfs/dbraw/zinc/00/50/88/344005088.db2.gz YUTRPSIEBGYRRO-SRVKXCTJSA-N 1 3 228.336 -0.054 20 0 BBADHO O[C@H](C[NH2+][C@@H]1COCC[C@H]1O)CN1CCCC1 ZINC000634729805 344011594 /nfs/dbraw/zinc/01/15/94/344011594.db2.gz XDRDPZVPEJOATQ-IJLUTSLNSA-N 1 3 244.335 -0.818 20 0 BBADHO O[C@@H](C[NH2+][C@@H]1COCC[C@H]1O)CN1CCCC1 ZINC000634729806 344011268 /nfs/dbraw/zinc/01/12/68/344011268.db2.gz XDRDPZVPEJOATQ-QJPTWQEYSA-N 1 3 244.335 -0.818 20 0 BBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1(N)CC1)C2 ZINC000634750014 344192678 /nfs/dbraw/zinc/19/26/78/344192678.db2.gz KUUKUAIYJYDJAU-PHIMTYICSA-N 1 3 223.320 -0.064 20 0 BBADHO CNCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634750039 344192718 /nfs/dbraw/zinc/19/27/18/344192718.db2.gz LNGQRJGOGPEIPW-PHIMTYICSA-N 1 3 211.309 -0.336 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634750179 344191880 /nfs/dbraw/zinc/19/18/80/344191880.db2.gz OZUUUIWNNMRHDE-IEBDPFPHSA-N 1 3 211.309 -0.208 20 0 BBADHO C[C@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634750180 344191736 /nfs/dbraw/zinc/19/17/36/344191736.db2.gz OZUUUIWNNMRHDE-INTQDDNPSA-N 1 3 211.309 -0.208 20 0 BBADHO CC[C@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634764839 344277181 /nfs/dbraw/zinc/27/71/81/344277181.db2.gz CTBHZUZJFCAMKD-YWVKMMECSA-N 1 3 211.309 -0.018 20 0 BBADHO COCCNCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765521 344276819 /nfs/dbraw/zinc/27/68/19/344276819.db2.gz VJLHOVYEDAUNAG-PWSUYJOCSA-N 1 3 241.335 -0.519 20 0 BBADHO CC[C@@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768265 344280184 /nfs/dbraw/zinc/28/01/84/344280184.db2.gz CTBHZUZJFCAMKD-KKZNHRDASA-N 1 3 211.309 -0.018 20 0 BBADHO O=C(CNC1CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768437 344280589 /nfs/dbraw/zinc/28/05/89/344280589.db2.gz KFBQFIZZWOBNSP-SKDRFNHKSA-N 1 3 223.320 -0.003 20 0 BBADHO CN[C@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769872 344284114 /nfs/dbraw/zinc/28/41/14/344284114.db2.gz RDHJGQMQRLGVQY-KKZNHRDASA-N 1 3 211.309 -0.147 20 0 BBADHO CN[C@@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769873 344283966 /nfs/dbraw/zinc/28/39/66/344283966.db2.gz RDHJGQMQRLGVQY-NGZCFLSTSA-N 1 3 211.309 -0.147 20 0 BBADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634779343 487908086 /nfs/dbraw/zinc/90/80/86/487908086.db2.gz MQUAEFWEQLQBPO-GRYCIOLGSA-N 1 3 228.336 -0.123 20 0 BBADHO CC[N@H+](C)C[C@@H](O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634779343 487908083 /nfs/dbraw/zinc/90/80/83/487908083.db2.gz MQUAEFWEQLQBPO-GRYCIOLGSA-N 1 3 228.336 -0.123 20 0 BBADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634779344 487907610 /nfs/dbraw/zinc/90/76/10/487907610.db2.gz MQUAEFWEQLQBPO-TUAOUCFPSA-N 1 3 228.336 -0.123 20 0 BBADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634779344 487907606 /nfs/dbraw/zinc/90/76/06/487907606.db2.gz MQUAEFWEQLQBPO-TUAOUCFPSA-N 1 3 228.336 -0.123 20 0 BBADHO COCCNCCNCC12CC(C1)C[NH2+]2 ZINC000634995585 345185220 /nfs/dbraw/zinc/18/52/20/345185220.db2.gz JKLJZNVCYGXVGR-UHFFFAOYSA-N 1 3 213.325 -0.436 20 0 BBADHO O[C@@H]1C[C@H]2CN(CC34CC(C3)C[NH2+]4)CCN2C1 ZINC000634996422 345188159 /nfs/dbraw/zinc/18/81/59/345188159.db2.gz JIIIUGVDTGUMGO-CMOBGSAGSA-N 1 3 237.347 -0.511 20 0 BBADHO C(NCC12CC(C1)C[NH2+]2)[C@H]1CNCCO1 ZINC000634996782 345180644 /nfs/dbraw/zinc/18/06/44/345180644.db2.gz VGOASRXDTLWJTN-HSOILSAZSA-N 1 3 211.309 -0.684 20 0 BBADHO C(NCC12CC(C1)C[NH2+]2)[C@@H]1CNCCO1 ZINC000634996783 345181226 /nfs/dbraw/zinc/18/12/26/345181226.db2.gz VGOASRXDTLWJTN-YVNMAJEFSA-N 1 3 211.309 -0.684 20 0 BBADHO CC(C)[C@H](CN)C[NH2+]C[C@@H]1COCCN1 ZINC000634997290 345194866 /nfs/dbraw/zinc/19/48/66/345194866.db2.gz IFAVKPWLHHHEGS-GHMZBOCLSA-N 1 3 215.341 -0.205 20 0 BBADHO CC(C)[C@H](C[NH3+])CNC[C@@H]1COCCN1 ZINC000634997290 345194864 /nfs/dbraw/zinc/19/48/64/345194864.db2.gz IFAVKPWLHHHEGS-GHMZBOCLSA-N 1 3 215.341 -0.205 20 0 BBADHO CC(C)[C@H](CN)C[NH2+]C[C@H]1COCCN1 ZINC000634997291 345194757 /nfs/dbraw/zinc/19/47/57/345194757.db2.gz IFAVKPWLHHHEGS-MNOVXSKESA-N 1 3 215.341 -0.205 20 0 BBADHO CC(C)[C@H](C[NH3+])CNC[C@H]1COCCN1 ZINC000634997291 345194755 /nfs/dbraw/zinc/19/47/55/345194755.db2.gz IFAVKPWLHHHEGS-MNOVXSKESA-N 1 3 215.341 -0.205 20 0 BBADHO CC(C)[C@@H](CN)C[NH2+]C[C@H]1COCCN1 ZINC000634997292 345194544 /nfs/dbraw/zinc/19/45/44/345194544.db2.gz IFAVKPWLHHHEGS-QWRGUYRKSA-N 1 3 215.341 -0.205 20 0 BBADHO CC(C)[C@@H](C[NH3+])CNC[C@H]1COCCN1 ZINC000634997292 345194543 /nfs/dbraw/zinc/19/45/43/345194543.db2.gz IFAVKPWLHHHEGS-QWRGUYRKSA-N 1 3 215.341 -0.205 20 0 BBADHO CC(C)[C@@H](CN)C[NH2+]C[C@@H]1COCCN1 ZINC000634997293 345194796 /nfs/dbraw/zinc/19/47/96/345194796.db2.gz IFAVKPWLHHHEGS-WDEREUQCSA-N 1 3 215.341 -0.205 20 0 BBADHO CC(C)[C@@H](C[NH3+])CNC[C@@H]1COCCN1 ZINC000634997293 345194793 /nfs/dbraw/zinc/19/47/93/345194793.db2.gz IFAVKPWLHHHEGS-WDEREUQCSA-N 1 3 215.341 -0.205 20 0 BBADHO CC(C)[C@H](C[NH3+])CN1CCOC2(CNC2)C1 ZINC000634997748 345196065 /nfs/dbraw/zinc/19/60/65/345196065.db2.gz RQFMUXUBJJCSNI-LLVKDONJSA-N 1 3 227.352 -0.109 20 0 BBADHO CC(C)[C@@H](C[NH3+])CN1CCOC2(CNC2)C1 ZINC000634997749 345196129 /nfs/dbraw/zinc/19/61/29/345196129.db2.gz RQFMUXUBJJCSNI-NSHDSACASA-N 1 3 227.352 -0.109 20 0 BBADHO C[C@]12C[NH+](CCCN)C[C@]1(C)C(=O)NC2=O ZINC000634999398 345200666 /nfs/dbraw/zinc/20/06/66/345200666.db2.gz UFJJWPBRZREXRO-GHMZBOCLSA-N 1 3 225.292 -0.680 20 0 BBADHO C[C@]12C[N@@H+](CCCN)C[C@@]1(C)C(=O)NC2=O ZINC000634999399 345200085 /nfs/dbraw/zinc/20/00/85/345200085.db2.gz UFJJWPBRZREXRO-PHIMTYICSA-N 1 3 225.292 -0.680 20 0 BBADHO C[C@]12C[N@H+](CCCN)C[C@@]1(C)C(=O)NC2=O ZINC000634999399 345200081 /nfs/dbraw/zinc/20/00/81/345200081.db2.gz UFJJWPBRZREXRO-PHIMTYICSA-N 1 3 225.292 -0.680 20 0 BBADHO C[C@@]12C[NH+](CCCN)C[C@@]1(C)C(=O)NC2=O ZINC000634999400 345200012 /nfs/dbraw/zinc/20/00/12/345200012.db2.gz UFJJWPBRZREXRO-QWRGUYRKSA-N 1 3 225.292 -0.680 20 0 BBADHO CNS(=O)(=O)CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000635004718 345208601 /nfs/dbraw/zinc/20/86/01/345208601.db2.gz DVGLUNLMGKSNDG-BDAKNGLRSA-N 1 3 237.369 -0.359 20 0 BBADHO CNS(=O)(=O)CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000635004729 345208299 /nfs/dbraw/zinc/20/82/99/345208299.db2.gz DVGLUNLMGKSNDG-DTWKUNHWSA-N 1 3 237.369 -0.359 20 0 BBADHO CNS(=O)(=O)CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000635004730 345208785 /nfs/dbraw/zinc/20/87/85/345208785.db2.gz DVGLUNLMGKSNDG-IUCAKERBSA-N 1 3 237.369 -0.359 20 0 BBADHO CNS(=O)(=O)CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000635004731 345208375 /nfs/dbraw/zinc/20/83/75/345208375.db2.gz DVGLUNLMGKSNDG-RKDXNWHRSA-N 1 3 237.369 -0.359 20 0 BBADHO CNS(=O)(=O)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000635007492 345209052 /nfs/dbraw/zinc/20/90/52/345209052.db2.gz QLELLCIXKZBLGS-NXEZZACHSA-N 1 3 249.380 -0.215 20 0 BBADHO CNS(=O)(=O)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000635007499 345210048 /nfs/dbraw/zinc/21/00/48/345210048.db2.gz QLELLCIXKZBLGS-UWVGGRQHSA-N 1 3 249.380 -0.215 20 0 BBADHO CNS(=O)(=O)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000635007500 345209807 /nfs/dbraw/zinc/20/98/07/345209807.db2.gz QLELLCIXKZBLGS-VHSXEESVSA-N 1 3 249.380 -0.215 20 0 BBADHO CNS(=O)(=O)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000635007501 345209876 /nfs/dbraw/zinc/20/98/76/345209876.db2.gz QLELLCIXKZBLGS-ZJUUUORDSA-N 1 3 249.380 -0.215 20 0 BBADHO CNS(=O)(=O)CCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000635009231 345216921 /nfs/dbraw/zinc/21/69/21/345216921.db2.gz XJWQEQUBCGBBCP-NXEZZACHSA-N 1 3 249.380 -0.357 20 0 BBADHO CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000635009231 345216920 /nfs/dbraw/zinc/21/69/20/345216920.db2.gz XJWQEQUBCGBBCP-NXEZZACHSA-N 1 3 249.380 -0.357 20 0 BBADHO CNS(=O)(=O)CCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000635009235 345216562 /nfs/dbraw/zinc/21/65/62/345216562.db2.gz XJWQEQUBCGBBCP-UWVGGRQHSA-N 1 3 249.380 -0.357 20 0 BBADHO CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H]1CN ZINC000635009235 345216558 /nfs/dbraw/zinc/21/65/58/345216558.db2.gz XJWQEQUBCGBBCP-UWVGGRQHSA-N 1 3 249.380 -0.357 20 0 BBADHO CNS(=O)(=O)CCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000635009236 345216955 /nfs/dbraw/zinc/21/69/55/345216955.db2.gz XJWQEQUBCGBBCP-VHSXEESVSA-N 1 3 249.380 -0.357 20 0 BBADHO CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000635009236 345216953 /nfs/dbraw/zinc/21/69/53/345216953.db2.gz XJWQEQUBCGBBCP-VHSXEESVSA-N 1 3 249.380 -0.357 20 0 BBADHO CNS(=O)(=O)CCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000635009237 345216376 /nfs/dbraw/zinc/21/63/76/345216376.db2.gz XJWQEQUBCGBBCP-ZJUUUORDSA-N 1 3 249.380 -0.357 20 0 BBADHO CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000635009237 345216374 /nfs/dbraw/zinc/21/63/74/345216374.db2.gz XJWQEQUBCGBBCP-ZJUUUORDSA-N 1 3 249.380 -0.357 20 0 BBADHO CN1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000635528819 345437961 /nfs/dbraw/zinc/43/79/61/345437961.db2.gz WVTGXSZNVUBFCI-QWRGUYRKSA-N 1 3 238.335 -0.164 20 0 BBADHO CN(C)C[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635928675 346110929 /nfs/dbraw/zinc/11/09/29/346110929.db2.gz LFXYSSGXGJIWAK-JTQLQIEISA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635928676 346110972 /nfs/dbraw/zinc/11/09/72/346110972.db2.gz LFXYSSGXGJIWAK-SNVBAGLBSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635929854 346111515 /nfs/dbraw/zinc/11/15/15/346111515.db2.gz YGVCTUZGUHDQDC-GHMZBOCLSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635929854 346111514 /nfs/dbraw/zinc/11/15/14/346111514.db2.gz YGVCTUZGUHDQDC-GHMZBOCLSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635929855 346111662 /nfs/dbraw/zinc/11/16/62/346111662.db2.gz YGVCTUZGUHDQDC-MNOVXSKESA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635929855 346111661 /nfs/dbraw/zinc/11/16/61/346111661.db2.gz YGVCTUZGUHDQDC-MNOVXSKESA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635929856 346111570 /nfs/dbraw/zinc/11/15/70/346111570.db2.gz YGVCTUZGUHDQDC-QWRGUYRKSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635929856 346111569 /nfs/dbraw/zinc/11/15/69/346111569.db2.gz YGVCTUZGUHDQDC-QWRGUYRKSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635929857 346111645 /nfs/dbraw/zinc/11/16/45/346111645.db2.gz YGVCTUZGUHDQDC-WDEREUQCSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)C[C@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635929857 346111643 /nfs/dbraw/zinc/11/16/43/346111643.db2.gz YGVCTUZGUHDQDC-WDEREUQCSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(C)CCN(C)C(=O)NCC[NH2+]C1CC1 ZINC000637308187 350430397 /nfs/dbraw/zinc/43/03/97/350430397.db2.gz VYVLLBQUBHDZGZ-UHFFFAOYSA-N 1 3 228.340 -0.059 20 0 BBADHO COC[C@]1(C(=O)NCC[NH3+])CCCCN1 ZINC000637797962 351625783 /nfs/dbraw/zinc/62/57/83/351625783.db2.gz STSWPUGNADNMFG-JTQLQIEISA-N 1 3 215.297 -0.780 20 0 BBADHO COC[C@@]1(C(=O)NCC[NH3+])CCCCN1 ZINC000637797966 351625617 /nfs/dbraw/zinc/62/56/17/351625617.db2.gz STSWPUGNADNMFG-SNVBAGLBSA-N 1 3 215.297 -0.780 20 0 BBADHO CN(C)CCn1cc(C(=O)NCC[NH3+])cn1 ZINC000637798499 351627539 /nfs/dbraw/zinc/62/75/39/351627539.db2.gz YQPXSUJVXIMHAB-UHFFFAOYSA-N 1 3 225.296 -0.867 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637799643 351628953 /nfs/dbraw/zinc/62/89/53/351628953.db2.gz XPSHLRUNMLCZJH-HLTSFMKQSA-N 1 3 213.281 -0.948 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000637799644 351629026 /nfs/dbraw/zinc/62/90/26/351629026.db2.gz XPSHLRUNMLCZJH-YIZRAAEISA-N 1 3 213.281 -0.948 20 0 BBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCCNCC2)C1 ZINC000637800607 351636588 /nfs/dbraw/zinc/63/65/88/351636588.db2.gz CLDCHLISKONWRI-CMPLNLGQSA-N 1 3 241.335 -0.425 20 0 BBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCCNCC2)C1 ZINC000637800608 351636404 /nfs/dbraw/zinc/63/64/04/351636404.db2.gz CLDCHLISKONWRI-JQWIXIFHSA-N 1 3 241.335 -0.425 20 0 BBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCCNCC2)C1 ZINC000637800609 351636528 /nfs/dbraw/zinc/63/65/28/351636528.db2.gz CLDCHLISKONWRI-PWSUYJOCSA-N 1 3 241.335 -0.425 20 0 BBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCCNCC2)C1 ZINC000637800610 351636230 /nfs/dbraw/zinc/63/62/30/351636230.db2.gz CLDCHLISKONWRI-ZYHUDNBSSA-N 1 3 241.335 -0.425 20 0 BBADHO [NH3+][C@H]1CC=C(C(=O)N2CCCNCC2)C1 ZINC000637800797 351636933 /nfs/dbraw/zinc/63/69/33/351636933.db2.gz FHHPIUZPJIUZLA-JTQLQIEISA-N 1 3 209.293 -0.144 20 0 BBADHO [NH3+][C@@H]1CC=C(C(=O)N2CCCNCC2)C1 ZINC000637800798 351637227 /nfs/dbraw/zinc/63/72/27/351637227.db2.gz FHHPIUZPJIUZLA-SNVBAGLBSA-N 1 3 209.293 -0.144 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000637800890 351637184 /nfs/dbraw/zinc/63/71/84/351637184.db2.gz JTHKENUWKCHILT-ZJUUUORDSA-N 1 3 241.335 -0.120 20 0 BBADHO COC[C@@]1(C(=O)NCCC[NH3+])CCCCN1 ZINC000637802405 351634294 /nfs/dbraw/zinc/63/42/94/351634294.db2.gz PBAZYSCZZZCJLP-LLVKDONJSA-N 1 3 229.324 -0.390 20 0 BBADHO COC[C@]1(C(=O)NCCC[NH3+])CCCCN1 ZINC000637802412 351635444 /nfs/dbraw/zinc/63/54/44/351635444.db2.gz PBAZYSCZZZCJLP-NSHDSACASA-N 1 3 229.324 -0.390 20 0 BBADHO COC[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCCCN1 ZINC000637802678 351636153 /nfs/dbraw/zinc/63/61/53/351636153.db2.gz SFGJWZVWZIFYOJ-PWSUYJOCSA-N 1 3 241.335 -0.295 20 0 BBADHO COC[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCCCN1 ZINC000637802680 351636331 /nfs/dbraw/zinc/63/63/31/351636331.db2.gz SFGJWZVWZIFYOJ-ZYHUDNBSSA-N 1 3 241.335 -0.295 20 0 BBADHO CN(C)CCn1cc(C(=O)NCCC[NH3+])cn1 ZINC000637802960 351638665 /nfs/dbraw/zinc/63/86/65/351638665.db2.gz VMRVLFNZKJBHBC-UHFFFAOYSA-N 1 3 239.323 -0.477 20 0 BBADHO [NH3+]C[C@]1(C(=O)N2CCCNCC2)CCCOC1 ZINC000637803882 351640759 /nfs/dbraw/zinc/64/07/59/351640759.db2.gz QNAOCFPDDNAAFI-GFCCVEGCSA-N 1 3 241.335 -0.436 20 0 BBADHO [NH3+]C[C@@]1(C(=O)N2CCCNCC2)CCCOC1 ZINC000637803883 351640767 /nfs/dbraw/zinc/64/07/67/351640767.db2.gz QNAOCFPDDNAAFI-LBPRGKRZSA-N 1 3 241.335 -0.436 20 0 BBADHO O=C(CN1CCNCC1)NCC1CC[NH2+]CC1 ZINC000637805178 351644533 /nfs/dbraw/zinc/64/45/33/351644533.db2.gz KJDQQAMEDMPROI-UHFFFAOYSA-N 1 3 240.351 -0.993 20 0 BBADHO [NH3+]CC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000637805286 351644772 /nfs/dbraw/zinc/64/47/72/351644772.db2.gz XLJGXBMYYNIPOH-UHFFFAOYSA-N 1 3 240.351 -0.911 20 0 BBADHO C[NH2+]CCCNC(=O)[C@]1(COC)CCCCN1 ZINC000637806645 351644036 /nfs/dbraw/zinc/64/40/36/351644036.db2.gz VAXDADXJLSOFAZ-GFCCVEGCSA-N 1 3 243.351 -0.129 20 0 BBADHO C[NH2+]CCCNC(=O)[C@@]1(COC)CCCCN1 ZINC000637806648 351644028 /nfs/dbraw/zinc/64/40/28/351644028.db2.gz VAXDADXJLSOFAZ-LBPRGKRZSA-N 1 3 243.351 -0.129 20 0 BBADHO CC[NH2+]CCCNC(=O)CN1CCNCC1 ZINC000637809015 351645613 /nfs/dbraw/zinc/64/56/13/351645613.db2.gz JFAGGNRBEJMRQG-UHFFFAOYSA-N 1 3 228.340 -0.993 20 0 BBADHO CC[NH2+]CCCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637809429 351646065 /nfs/dbraw/zinc/64/60/65/351646065.db2.gz QKIHZWBQXWXACH-DTWKUNHWSA-N 1 3 215.297 -0.782 20 0 BBADHO CN(C(=O)CN1CCNCC1)C1CC[NH2+]CC1 ZINC000637810024 351650454 /nfs/dbraw/zinc/65/04/54/351650454.db2.gz AJKZLQCPPDMSHJ-UHFFFAOYSA-N 1 3 240.351 -0.898 20 0 BBADHO COC[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCCN1 ZINC000637811328 351652387 /nfs/dbraw/zinc/65/23/87/351652387.db2.gz JVUZOBVGCLVDHP-CMPLNLGQSA-N 1 3 241.335 -0.377 20 0 BBADHO COC[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCCN1 ZINC000637811330 351652229 /nfs/dbraw/zinc/65/22/29/351652229.db2.gz JVUZOBVGCLVDHP-JQWIXIFHSA-N 1 3 241.335 -0.377 20 0 BBADHO COC[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000637811331 351652220 /nfs/dbraw/zinc/65/22/20/351652220.db2.gz JVUZOBVGCLVDHP-PWSUYJOCSA-N 1 3 241.335 -0.377 20 0 BBADHO COC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000637811334 351652293 /nfs/dbraw/zinc/65/22/93/351652293.db2.gz JVUZOBVGCLVDHP-ZYHUDNBSSA-N 1 3 241.335 -0.377 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637815149 351653805 /nfs/dbraw/zinc/65/38/05/351653805.db2.gz DOVURLCHTGIZEE-AEJSXWLSSA-N 1 3 227.308 -0.639 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637815150 351653752 /nfs/dbraw/zinc/65/37/52/351653752.db2.gz DOVURLCHTGIZEE-BBBLOLIVSA-N 1 3 227.308 -0.639 20 0 BBADHO [NH3+]C[C@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000637815527 351654704 /nfs/dbraw/zinc/65/47/04/351654704.db2.gz BCPORZRSQWMISJ-LLVKDONJSA-N 1 3 240.351 -0.769 20 0 BBADHO O=C(CN1CCNCC1)NC[C@H]1CCCC[NH2+]1 ZINC000637817837 351662468 /nfs/dbraw/zinc/66/24/68/351662468.db2.gz ZJXUPEBIMGRNES-LLVKDONJSA-N 1 3 240.351 -0.850 20 0 BBADHO O=C(CN1CCNCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000637817839 351662735 /nfs/dbraw/zinc/66/27/35/351662735.db2.gz ZJXUPEBIMGRNES-NSHDSACASA-N 1 3 240.351 -0.850 20 0 BBADHO C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)[C@@H]1CCC[NH2+]C1 ZINC000637818284 351659028 /nfs/dbraw/zinc/65/90/28/351659028.db2.gz BYCIIXGJMGRVTM-CHWFTXMASA-N 1 3 241.335 -0.393 20 0 BBADHO C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)[C@H]1CCC[NH2+]C1 ZINC000637818285 351659161 /nfs/dbraw/zinc/65/91/61/351659161.db2.gz BYCIIXGJMGRVTM-VPOLOUISSA-N 1 3 241.335 -0.393 20 0 BBADHO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)[C@H]1CCC[NH2+]C1 ZINC000637818286 351659170 /nfs/dbraw/zinc/65/91/70/351659170.db2.gz BYCIIXGJMGRVTM-XWLWVQCSSA-N 1 3 241.335 -0.393 20 0 BBADHO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)[C@@H]1CCC[NH2+]C1 ZINC000637818287 351658498 /nfs/dbraw/zinc/65/84/98/351658498.db2.gz BYCIIXGJMGRVTM-ZRUFSTJUSA-N 1 3 241.335 -0.393 20 0 BBADHO COC[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCCN1 ZINC000637821512 351665823 /nfs/dbraw/zinc/66/58/23/351665823.db2.gz SFGJWZVWZIFYOJ-CMPLNLGQSA-N 1 3 241.335 -0.295 20 0 BBADHO COC[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCCN1 ZINC000637821513 351665917 /nfs/dbraw/zinc/66/59/17/351665917.db2.gz SFGJWZVWZIFYOJ-JQWIXIFHSA-N 1 3 241.335 -0.295 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637821901 351666775 /nfs/dbraw/zinc/66/67/75/351666775.db2.gz FMVXMQLKJXAJPG-KXUCPTDWSA-N 1 3 227.308 -0.687 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637821902 351666609 /nfs/dbraw/zinc/66/66/09/351666609.db2.gz FMVXMQLKJXAJPG-LPEHRKFASA-N 1 3 227.308 -0.687 20 0 BBADHO COC[C@@]1(C(=O)NCC[C@H](C)[NH3+])CCCCN1 ZINC000637823372 351668322 /nfs/dbraw/zinc/66/83/22/351668322.db2.gz GFYVXKUXPASOHD-CMPLNLGQSA-N 1 3 243.351 -0.001 20 0 BBADHO COC[C@]1(C(=O)NCC[C@H](C)[NH3+])CCCCN1 ZINC000637823373 351668080 /nfs/dbraw/zinc/66/80/80/351668080.db2.gz GFYVXKUXPASOHD-JQWIXIFHSA-N 1 3 243.351 -0.001 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000637824058 351663823 /nfs/dbraw/zinc/66/38/23/351663823.db2.gz LOGWMUXXIBYRCW-LLVKDONJSA-N 1 3 240.351 -0.898 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000637824059 351663488 /nfs/dbraw/zinc/66/34/88/351663488.db2.gz LOGWMUXXIBYRCW-NSHDSACASA-N 1 3 240.351 -0.898 20 0 BBADHO C[NH2+]CCNC(=O)[C@]1(COC)CCCCN1 ZINC000637825123 351665344 /nfs/dbraw/zinc/66/53/44/351665344.db2.gz VSRICZCQKPKCFO-LLVKDONJSA-N 1 3 229.324 -0.519 20 0 BBADHO C[NH2+]CCNC(=O)[C@@]1(COC)CCCCN1 ZINC000637825124 351665242 /nfs/dbraw/zinc/66/52/42/351665242.db2.gz VSRICZCQKPKCFO-NSHDSACASA-N 1 3 229.324 -0.519 20 0 BBADHO C[NH2+]CCNC(=O)c1cnn(CCN(C)C)c1 ZINC000637825361 351665854 /nfs/dbraw/zinc/66/58/54/351665854.db2.gz ZJPMMIWUSMXJOK-UHFFFAOYSA-N 1 3 239.323 -0.606 20 0 BBADHO CC[NH2+]CCNC(=O)Cc1nc[nH]c1C ZINC000637826126 351672268 /nfs/dbraw/zinc/67/22/68/351672268.db2.gz JCARUUMSWRHGJD-UHFFFAOYSA-N 1 3 210.281 -0.014 20 0 BBADHO CC[NH2+]CCNC(=O)[C@]1(COC)CCCCN1 ZINC000637826503 351673209 /nfs/dbraw/zinc/67/32/09/351673209.db2.gz SNRQHHYKBBAXAX-GFCCVEGCSA-N 1 3 243.351 -0.129 20 0 BBADHO CC[NH2+]CCNC(=O)[C@@]1(COC)CCCCN1 ZINC000637826504 351673229 /nfs/dbraw/zinc/67/32/29/351673229.db2.gz SNRQHHYKBBAXAX-LBPRGKRZSA-N 1 3 243.351 -0.129 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)CN1CCNCC1 ZINC000637828265 351675975 /nfs/dbraw/zinc/67/59/75/351675975.db2.gz DNVXQGXAXGAJNC-UHFFFAOYSA-N 1 3 242.367 -0.604 20 0 BBADHO CC[NH2+]CCNC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000637828476 351677003 /nfs/dbraw/zinc/67/70/03/351677003.db2.gz ZWTQRGSSNFOPKG-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO CC[NH2+]CCNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000637828477 351676837 /nfs/dbraw/zinc/67/68/37/351676837.db2.gz ZWTQRGSSNFOPKG-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO CC[NH2+]CCNC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000637828478 351676944 /nfs/dbraw/zinc/67/69/44/351676944.db2.gz ZWTQRGSSNFOPKG-QWRGUYRKSA-N 1 3 241.335 -0.425 20 0 BBADHO CC[NH2+]CCNC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000637828479 351676962 /nfs/dbraw/zinc/67/69/62/351676962.db2.gz ZWTQRGSSNFOPKG-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637828901 351677298 /nfs/dbraw/zinc/67/72/98/351677298.db2.gz IMNJONSRNJFWED-VHSXEESVSA-N 1 3 229.324 -0.393 20 0 BBADHO O=C(CN1CCNCC1)NCC[C@H]1CC[NH2+]C1 ZINC000637833196 351683545 /nfs/dbraw/zinc/68/35/45/351683545.db2.gz QCSPMUPLXOPVLM-LLVKDONJSA-N 1 3 240.351 -0.993 20 0 BBADHO O=C(CN1CCNCC1)NCC[C@@H]1CC[NH2+]C1 ZINC000637833197 351683126 /nfs/dbraw/zinc/68/31/26/351683126.db2.gz QCSPMUPLXOPVLM-NSHDSACASA-N 1 3 240.351 -0.993 20 0 BBADHO [NH3+]CC1(NC(=O)CN2CCNCC2)CCCC1 ZINC000637838935 351689690 /nfs/dbraw/zinc/68/96/90/351689690.db2.gz DBKQQWMTFJSQET-UHFFFAOYSA-N 1 3 240.351 -0.721 20 0 BBADHO C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H](C)N1 ZINC000637839364 351690046 /nfs/dbraw/zinc/69/00/46/351690046.db2.gz JDZNUECWKOMECV-AATLWQCWSA-N 1 3 227.308 -0.689 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@@H](C)N1 ZINC000637839365 351689614 /nfs/dbraw/zinc/68/96/14/351689614.db2.gz JDZNUECWKOMECV-DOLQZWNJSA-N 1 3 227.308 -0.689 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H](C)N1 ZINC000637839366 351689601 /nfs/dbraw/zinc/68/96/01/351689601.db2.gz JDZNUECWKOMECV-QCLAVDOMSA-N 1 3 227.308 -0.689 20 0 BBADHO C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)C[C@@H](C)N1 ZINC000637840571 351696023 /nfs/dbraw/zinc/69/60/23/351696023.db2.gz OWLFHOSBSVQKOQ-GHMZBOCLSA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)C[C@H](C)N1 ZINC000637840572 351695446 /nfs/dbraw/zinc/69/54/46/351695446.db2.gz OWLFHOSBSVQKOQ-PHIMTYICSA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)C[C@H](C)N1 ZINC000637840573 351695475 /nfs/dbraw/zinc/69/54/75/351695475.db2.gz OWLFHOSBSVQKOQ-QWRGUYRKSA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@]2(C)CNCCO2)C[C@@H](C)[NH2+]1 ZINC000637841055 351696334 /nfs/dbraw/zinc/69/63/34/351696334.db2.gz RKHKAOMMCZBTCK-CKYFFXLPSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(C)CNCCO2)C[C@@H](C)[NH2+]1 ZINC000637841057 351696836 /nfs/dbraw/zinc/69/68/36/351696836.db2.gz RKHKAOMMCZBTCK-FOGDFJRCSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@]2(C)CNCCO2)C[C@H](C)[NH2+]1 ZINC000637841059 351696841 /nfs/dbraw/zinc/69/68/41/351696841.db2.gz RKHKAOMMCZBTCK-JFGNBEQYSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(C)CNCCO2)C[C@H](C)[NH2+]1 ZINC000637841060 351696774 /nfs/dbraw/zinc/69/67/74/351696774.db2.gz RKHKAOMMCZBTCK-UMNHJUIQSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@](C[NH3+])(NC(=O)CN1CCNCC1)C1CC1 ZINC000637842505 351699652 /nfs/dbraw/zinc/69/96/52/351699652.db2.gz QLFDPXCCOVHQRL-GFCCVEGCSA-N 1 3 240.351 -0.865 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)CN1CCNCC1)C1CC1 ZINC000637842506 351700192 /nfs/dbraw/zinc/70/01/92/351700192.db2.gz QLFDPXCCOVHQRL-LBPRGKRZSA-N 1 3 240.351 -0.865 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)CN1CCNCC1 ZINC000637842723 351699002 /nfs/dbraw/zinc/69/90/02/351699002.db2.gz ROVRBBRUYMLQMJ-UHFFFAOYSA-N 1 3 242.367 -0.475 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)CN1CCNCC1 ZINC000637845493 411444925 /nfs/dbraw/zinc/44/49/25/411444925.db2.gz YHQDEDWLRIVHCI-LLVKDONJSA-N 1 3 242.367 -0.619 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)CN1CCNCC1 ZINC000637845497 411445208 /nfs/dbraw/zinc/44/52/08/411445208.db2.gz YHQDEDWLRIVHCI-NSHDSACASA-N 1 3 242.367 -0.619 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637848077 351708314 /nfs/dbraw/zinc/70/83/14/351708314.db2.gz GCLDYGILXXYODU-DJLDLDEBSA-N 1 3 215.297 -0.798 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637848078 351708244 /nfs/dbraw/zinc/70/82/44/351708244.db2.gz GCLDYGILXXYODU-XHNCKOQMSA-N 1 3 215.297 -0.798 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)CN1CCNCC1 ZINC000637851983 351710576 /nfs/dbraw/zinc/71/05/76/351710576.db2.gz LUMRFJAYHVHGOQ-GFCCVEGCSA-N 1 3 242.367 -0.619 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)CN1CCNCC1 ZINC000637851985 351710220 /nfs/dbraw/zinc/71/02/20/351710220.db2.gz LUMRFJAYHVHGOQ-LBPRGKRZSA-N 1 3 242.367 -0.619 20 0 BBADHO COC[C@@]1(C(=O)N(C)CCC[NH3+])CCCCN1 ZINC000637853083 351708854 /nfs/dbraw/zinc/70/88/54/351708854.db2.gz KXAMYPDCVSPUEC-GFCCVEGCSA-N 1 3 243.351 -0.048 20 0 BBADHO COC[C@]1(C(=O)N(C)CCC[NH3+])CCCCN1 ZINC000637853084 351709062 /nfs/dbraw/zinc/70/90/62/351709062.db2.gz KXAMYPDCVSPUEC-LBPRGKRZSA-N 1 3 243.351 -0.048 20 0 BBADHO COC[C@@]1(C(=O)NCC(C)(C)[NH3+])CCCCN1 ZINC000637857790 351718864 /nfs/dbraw/zinc/71/88/64/351718864.db2.gz PJDDAGRQFAQJDN-GFCCVEGCSA-N 1 3 243.351 -0.001 20 0 BBADHO COC[C@]1(C(=O)NCC(C)(C)[NH3+])CCCCN1 ZINC000637857791 351718976 /nfs/dbraw/zinc/71/89/76/351718976.db2.gz PJDDAGRQFAQJDN-LBPRGKRZSA-N 1 3 243.351 -0.001 20 0 BBADHO CC1(C)CNCCN1C(=O)CN1CC[NH2+]CC1 ZINC000637858152 351719535 /nfs/dbraw/zinc/71/95/35/351719535.db2.gz ZNNGZJVOCIRIBT-UHFFFAOYSA-N 1 3 240.351 -0.898 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637858465 351720288 /nfs/dbraw/zinc/72/02/88/351720288.db2.gz DUSSKNALLSYSAE-DTWKUNHWSA-N 1 3 229.324 -0.264 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)CN1CCNCC1 ZINC000637858805 351720608 /nfs/dbraw/zinc/72/06/08/351720608.db2.gz OLBLDFVFMVHBHW-UHFFFAOYSA-N 1 3 242.367 -0.475 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859896 351721381 /nfs/dbraw/zinc/72/13/81/351721381.db2.gz RHYNVYXBXDFOGK-YTWAJWBKSA-N 1 3 239.319 -0.545 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)CN1CCNCC1 ZINC000637862171 351723184 /nfs/dbraw/zinc/72/31/84/351723184.db2.gz LDSQZFBDLJGAHD-UHFFFAOYSA-N 1 3 242.367 -0.665 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)CN1CCNCC1 ZINC000637862542 351723669 /nfs/dbraw/zinc/72/36/69/351723669.db2.gz NXUMJBDLWALPQS-LLVKDONJSA-N 1 3 240.351 -0.898 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCNCC1 ZINC000637862543 351723611 /nfs/dbraw/zinc/72/36/11/351723611.db2.gz NXUMJBDLWALPQS-NSHDSACASA-N 1 3 240.351 -0.898 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1OCC[C@@H]1N ZINC000637862793 351723858 /nfs/dbraw/zinc/72/38/58/351723858.db2.gz VYMIPZWHQIDOCZ-DTWKUNHWSA-N 1 3 229.324 -0.454 20 0 BBADHO CC[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)C ZINC000637863407 398032355 /nfs/dbraw/zinc/03/23/55/398032355.db2.gz BIKSOBIHSFXKBP-GHMZBOCLSA-N 1 3 242.367 -0.572 20 0 BBADHO CC[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)C ZINC000637863408 398032270 /nfs/dbraw/zinc/03/22/70/398032270.db2.gz BIKSOBIHSFXKBP-MNOVXSKESA-N 1 3 242.367 -0.572 20 0 BBADHO CC[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)C ZINC000637863409 398032493 /nfs/dbraw/zinc/03/24/93/398032493.db2.gz BIKSOBIHSFXKBP-QWRGUYRKSA-N 1 3 242.367 -0.572 20 0 BBADHO CC[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)C ZINC000637863410 398032414 /nfs/dbraw/zinc/03/24/14/398032414.db2.gz BIKSOBIHSFXKBP-WDEREUQCSA-N 1 3 242.367 -0.572 20 0 BBADHO CN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H](CN)C1 ZINC000637864502 351725689 /nfs/dbraw/zinc/72/56/89/351725689.db2.gz RXLIWCPPCMSYNC-GHMZBOCLSA-N 1 3 238.335 -0.865 20 0 BBADHO CN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](CN)C1 ZINC000637864503 351725880 /nfs/dbraw/zinc/72/58/80/351725880.db2.gz RXLIWCPPCMSYNC-MNOVXSKESA-N 1 3 238.335 -0.865 20 0 BBADHO CN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@@H](CN)C1 ZINC000637864504 351725953 /nfs/dbraw/zinc/72/59/53/351725953.db2.gz RXLIWCPPCMSYNC-QWRGUYRKSA-N 1 3 238.335 -0.865 20 0 BBADHO CN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H](CN)C1 ZINC000637864505 351725975 /nfs/dbraw/zinc/72/59/75/351725975.db2.gz RXLIWCPPCMSYNC-WDEREUQCSA-N 1 3 238.335 -0.865 20 0 BBADHO CC[NH2+][C@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000637864940 351723869 /nfs/dbraw/zinc/72/38/69/351723869.db2.gz YJPBNYOHJHMENP-NXEZZACHSA-N 1 3 228.340 -0.914 20 0 BBADHO CC[NH2+][C@@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000637864944 351723629 /nfs/dbraw/zinc/72/36/29/351723629.db2.gz YJPBNYOHJHMENP-UWVGGRQHSA-N 1 3 228.340 -0.914 20 0 BBADHO CC[NH2+][C@@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000637864946 351723876 /nfs/dbraw/zinc/72/38/76/351723876.db2.gz YJPBNYOHJHMENP-VHSXEESVSA-N 1 3 228.340 -0.914 20 0 BBADHO CC[NH2+][C@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000637864947 351723726 /nfs/dbraw/zinc/72/37/26/351723726.db2.gz YJPBNYOHJHMENP-ZJUUUORDSA-N 1 3 228.340 -0.914 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)CN1CCNCC1 ZINC000637866373 351726567 /nfs/dbraw/zinc/72/65/67/351726567.db2.gz LMBVQXOQICIJQI-LLVKDONJSA-N 1 3 242.367 -0.475 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)CN1CCNCC1 ZINC000637866374 351726577 /nfs/dbraw/zinc/72/65/77/351726577.db2.gz LMBVQXOQICIJQI-NSHDSACASA-N 1 3 242.367 -0.475 20 0 BBADHO CN1CCN(C(=O)CCC2C[NH2+]C2)[C@H](CN)C1 ZINC000637867230 351728233 /nfs/dbraw/zinc/72/82/33/351728233.db2.gz TWXZIWPWCFSBGB-LLVKDONJSA-N 1 3 240.351 -0.913 20 0 BBADHO CN1CCN(C(=O)CCC2C[NH2+]C2)[C@@H](CN)C1 ZINC000637867232 351728296 /nfs/dbraw/zinc/72/82/96/351728296.db2.gz TWXZIWPWCFSBGB-NSHDSACASA-N 1 3 240.351 -0.913 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1OCC[C@@H]1N ZINC000637867584 351731523 /nfs/dbraw/zinc/73/15/23/351731523.db2.gz VMGLMKIANJEWES-KXUCPTDWSA-N 1 3 229.324 -0.264 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1OCC[C@@H]1N ZINC000637867585 351731005 /nfs/dbraw/zinc/73/10/05/351731005.db2.gz VMGLMKIANJEWES-LPEHRKFASA-N 1 3 229.324 -0.264 20 0 BBADHO CC[NH+](CC)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638046912 351925880 /nfs/dbraw/zinc/92/58/80/351925880.db2.gz JVVYVJJEYQRGBF-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO CC[NH+](CC)CCCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638047611 351924775 /nfs/dbraw/zinc/92/47/75/351924775.db2.gz IIYVYPDLUFEXEN-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO C[NH+](C)CCCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638047799 351924643 /nfs/dbraw/zinc/92/46/43/351924643.db2.gz MLUXKCWAKXUIDL-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638049082 351926803 /nfs/dbraw/zinc/92/68/03/351926803.db2.gz UBQYXPZUZBKPEE-VHSXEESVSA-N 1 3 243.351 -0.193 20 0 BBADHO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638050927 351929416 /nfs/dbraw/zinc/92/94/16/351929416.db2.gz VVNVHXDLEVDJFN-DTWKUNHWSA-N 1 3 229.324 -0.441 20 0 BBADHO CC[NH+]1CCC(NC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638051912 351929453 /nfs/dbraw/zinc/92/94/53/351929453.db2.gz UTGZIZXBLSCZHD-WDEREUQCSA-N 1 3 241.335 -0.297 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000638053223 351931112 /nfs/dbraw/zinc/93/11/12/351931112.db2.gz IBGHLSJECOKLCD-MNOVXSKESA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCN1CCCC1 ZINC000638055202 351930465 /nfs/dbraw/zinc/93/04/65/351930465.db2.gz GQDOIOMKCAWYCV-ZJUUUORDSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCN1CCCCC1 ZINC000638057612 351931814 /nfs/dbraw/zinc/93/18/14/351931814.db2.gz OFXYMMYOKGBMIX-MNOVXSKESA-N 1 3 241.335 -0.295 20 0 BBADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638072553 351944401 /nfs/dbraw/zinc/94/44/01/351944401.db2.gz NYKQWGRBMUZTGM-GARJFASQSA-N 1 3 241.335 -0.439 20 0 BBADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638072553 351944399 /nfs/dbraw/zinc/94/43/99/351944399.db2.gz NYKQWGRBMUZTGM-GARJFASQSA-N 1 3 241.335 -0.439 20 0 BBADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638072554 351944677 /nfs/dbraw/zinc/94/46/77/351944677.db2.gz NYKQWGRBMUZTGM-OUAUKWLOSA-N 1 3 241.335 -0.439 20 0 BBADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638072554 351944672 /nfs/dbraw/zinc/94/46/72/351944672.db2.gz NYKQWGRBMUZTGM-OUAUKWLOSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638075301 351947295 /nfs/dbraw/zinc/94/72/95/351947295.db2.gz DKHMNNIZFLWQBW-KXUCPTDWSA-N 1 3 227.308 -0.687 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638075303 351947016 /nfs/dbraw/zinc/94/70/16/351947016.db2.gz DKHMNNIZFLWQBW-LPEHRKFASA-N 1 3 227.308 -0.687 20 0 BBADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638077283 351947074 /nfs/dbraw/zinc/94/70/74/351947074.db2.gz PTIKOIMFTZCAPF-GARJFASQSA-N 1 3 243.351 -0.051 20 0 BBADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638077284 351947311 /nfs/dbraw/zinc/94/73/11/351947311.db2.gz PTIKOIMFTZCAPF-OUAUKWLOSA-N 1 3 243.351 -0.051 20 0 BBADHO C[NH+](C)[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1N)C1CC1 ZINC000638077403 385796356 /nfs/dbraw/zinc/79/63/56/385796356.db2.gz RYXWRSXCJMHBOY-GARJFASQSA-N 1 3 241.335 -0.441 20 0 BBADHO C[NH+](C)[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)C1CC1 ZINC000638077404 385797837 /nfs/dbraw/zinc/79/78/37/385797837.db2.gz RYXWRSXCJMHBOY-HBNTYKKESA-N 1 3 241.335 -0.441 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)[NH+](C)C ZINC000638079200 351954510 /nfs/dbraw/zinc/95/45/10/351954510.db2.gz CSVRPNDSRJMWHB-HRDYMLBCSA-N 1 3 215.297 -0.831 20 0 BBADHO C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1N)[NH+](C)C ZINC000638079401 351954608 /nfs/dbraw/zinc/95/46/08/351954608.db2.gz CSVRPNDSRJMWHB-XHNCKOQMSA-N 1 3 215.297 -0.831 20 0 BBADHO C[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)N(C)C ZINC000638079917 351952888 /nfs/dbraw/zinc/95/28/88/351952888.db2.gz JSSLWAOMMLQUCM-CMPLNLGQSA-N 1 3 243.351 -0.192 20 0 BBADHO C[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)N(C)C ZINC000638079920 351952611 /nfs/dbraw/zinc/95/26/11/351952611.db2.gz JSSLWAOMMLQUCM-JQWIXIFHSA-N 1 3 243.351 -0.192 20 0 BBADHO C[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)N(C)C ZINC000638079922 351952412 /nfs/dbraw/zinc/95/24/12/351952412.db2.gz JSSLWAOMMLQUCM-PWSUYJOCSA-N 1 3 243.351 -0.192 20 0 BBADHO C[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)N(C)C ZINC000638079924 351952423 /nfs/dbraw/zinc/95/24/23/351952423.db2.gz JSSLWAOMMLQUCM-ZYHUDNBSSA-N 1 3 243.351 -0.192 20 0 BBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)N(C)C)C1 ZINC000638081138 351954559 /nfs/dbraw/zinc/95/45/59/351954559.db2.gz VRUCPOBQAOHBTH-JBLDHEPKSA-N 1 3 243.351 -0.180 20 0 BBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C)N(C)C)C1 ZINC000638081139 351954599 /nfs/dbraw/zinc/95/45/99/351954599.db2.gz VRUCPOBQAOHBTH-JFGNBEQYSA-N 1 3 243.351 -0.180 20 0 BBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)N(C)C)C1 ZINC000638081140 351954281 /nfs/dbraw/zinc/95/42/81/351954281.db2.gz VRUCPOBQAOHBTH-NHCYSSNCSA-N 1 3 243.351 -0.180 20 0 BBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)N(C)C)C1 ZINC000638081141 351954564 /nfs/dbraw/zinc/95/45/64/351954564.db2.gz VRUCPOBQAOHBTH-SCVCMEIPSA-N 1 3 243.351 -0.180 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638085851 351963011 /nfs/dbraw/zinc/96/30/11/351963011.db2.gz UIORAKAJLDNOGN-KXUCPTDWSA-N 1 3 229.324 -0.441 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638085853 351963178 /nfs/dbraw/zinc/96/31/78/351963178.db2.gz UIORAKAJLDNOGN-LPEHRKFASA-N 1 3 229.324 -0.441 20 0 BBADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638086056 351962415 /nfs/dbraw/zinc/96/24/15/351962415.db2.gz OPSMBHDLRYRUJW-GARJFASQSA-N 1 3 241.335 -0.439 20 0 BBADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638086056 351962413 /nfs/dbraw/zinc/96/24/13/351962413.db2.gz OPSMBHDLRYRUJW-GARJFASQSA-N 1 3 241.335 -0.439 20 0 BBADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638086058 351962087 /nfs/dbraw/zinc/96/20/87/351962087.db2.gz OPSMBHDLRYRUJW-OUAUKWLOSA-N 1 3 241.335 -0.439 20 0 BBADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638086058 351962083 /nfs/dbraw/zinc/96/20/83/351962083.db2.gz OPSMBHDLRYRUJW-OUAUKWLOSA-N 1 3 241.335 -0.439 20 0 BBADHO C[NH+]1CCC(CNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638086093 351963330 /nfs/dbraw/zinc/96/33/30/351963330.db2.gz PFHGSGDKVPPUMS-WDEREUQCSA-N 1 3 241.335 -0.439 20 0 BBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000638086299 351964210 /nfs/dbraw/zinc/96/42/10/351964210.db2.gz XUUPXCGGWUPWNS-GDPRMGEGSA-N 1 3 239.319 -0.545 20 0 BBADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000638086301 351964041 /nfs/dbraw/zinc/96/40/41/351964041.db2.gz XUUPXCGGWUPWNS-IEBDPFPHSA-N 1 3 239.319 -0.545 20 0 BBADHO CCCC[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638090787 351968506 /nfs/dbraw/zinc/96/85/06/351968506.db2.gz YTJDWFOLCYPKCP-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO CCCC[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638090787 351968504 /nfs/dbraw/zinc/96/85/04/351968504.db2.gz YTJDWFOLCYPKCP-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN(C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638091368 351968360 /nfs/dbraw/zinc/96/83/60/351968360.db2.gz MGQLGXPQXWWZHU-LLVKDONJSA-N 1 3 241.335 -0.272 20 0 BBADHO COCCN(C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638091370 351968301 /nfs/dbraw/zinc/96/83/01/351968301.db2.gz MGQLGXPQXWWZHU-NSHDSACASA-N 1 3 241.335 -0.272 20 0 BBADHO COCCN(C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638091707 351970258 /nfs/dbraw/zinc/97/02/58/351970258.db2.gz QDJXCJJQGFGTEM-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO CC[NH2+][C@@H](C)C(=O)NCCN(C)CCOC ZINC000638092561 351969126 /nfs/dbraw/zinc/96/91/26/351969126.db2.gz YHAAOCIUTVIUHI-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO CC[NH2+][C@H](C)C(=O)NCCN(C)CCOC ZINC000638092586 351968948 /nfs/dbraw/zinc/96/89/48/351968948.db2.gz YHAAOCIUTVIUHI-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO CC[N@@H+](CCNC(=O)[C@@H]1OCC[C@@H]1N)C1CC1 ZINC000638095671 351975427 /nfs/dbraw/zinc/97/54/27/351975427.db2.gz BFZHOQFAKLCNMY-WDEREUQCSA-N 1 3 241.335 -0.297 20 0 BBADHO CC[N@H+](CCNC(=O)[C@@H]1OCC[C@@H]1N)C1CC1 ZINC000638095671 351975424 /nfs/dbraw/zinc/97/54/24/351975424.db2.gz BFZHOQFAKLCNMY-WDEREUQCSA-N 1 3 241.335 -0.297 20 0 BBADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638095673 351975385 /nfs/dbraw/zinc/97/53/85/351975385.db2.gz BIYKETXLXVJMBP-VHSXEESVSA-N 1 3 229.324 -0.441 20 0 BBADHO CC(C)[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638095673 351975383 /nfs/dbraw/zinc/97/53/83/351975383.db2.gz BIYKETXLXVJMBP-VHSXEESVSA-N 1 3 229.324 -0.441 20 0 BBADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638096760 351977109 /nfs/dbraw/zinc/97/71/09/351977109.db2.gz LPOMUZBIEQHGSE-GARJFASQSA-N 1 3 241.335 -0.345 20 0 BBADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638096761 351976766 /nfs/dbraw/zinc/97/67/66/351976766.db2.gz LPOMUZBIEQHGSE-OUAUKWLOSA-N 1 3 241.335 -0.345 20 0 BBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638097953 351979927 /nfs/dbraw/zinc/97/99/27/351979927.db2.gz YBTSAFFMCAUXSA-GARJFASQSA-N 1 3 243.351 -0.051 20 0 BBADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638097953 351979922 /nfs/dbraw/zinc/97/99/22/351979922.db2.gz YBTSAFFMCAUXSA-GARJFASQSA-N 1 3 243.351 -0.051 20 0 BBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638097954 351979564 /nfs/dbraw/zinc/97/95/64/351979564.db2.gz YBTSAFFMCAUXSA-OUAUKWLOSA-N 1 3 243.351 -0.051 20 0 BBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638097954 351979561 /nfs/dbraw/zinc/97/95/61/351979561.db2.gz YBTSAFFMCAUXSA-OUAUKWLOSA-N 1 3 243.351 -0.051 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)[N@@H+](C)C1CC1 ZINC000638100567 351980945 /nfs/dbraw/zinc/98/09/45/351980945.db2.gz KCTQHQGIBGGLHD-DVVUODLYSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)[N@H+](C)C1CC1 ZINC000638100567 351980943 /nfs/dbraw/zinc/98/09/43/351980943.db2.gz KCTQHQGIBGGLHD-DVVUODLYSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1N)[N@@H+](C)C1CC1 ZINC000638100568 351980719 /nfs/dbraw/zinc/98/07/19/351980719.db2.gz KCTQHQGIBGGLHD-INTQDDNPSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1N)[N@H+](C)C1CC1 ZINC000638100568 351980716 /nfs/dbraw/zinc/98/07/16/351980716.db2.gz KCTQHQGIBGGLHD-INTQDDNPSA-N 1 3 241.335 -0.299 20 0 BBADHO COC1CCN(CCNC(=O)C[C@H](C)[NH3+])CC1 ZINC000638125718 351996188 /nfs/dbraw/zinc/99/61/88/351996188.db2.gz LMWMVCLPDLJXQH-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[N@@H+](CC)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638128483 351999966 /nfs/dbraw/zinc/99/99/66/351999966.db2.gz UROSBJOMNYFFFE-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO CCC[N@H+](CC)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638128483 351999964 /nfs/dbraw/zinc/99/99/64/351999964.db2.gz UROSBJOMNYFFFE-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO COC[C@@]1(C(=O)NC[C@@H](C)C[NH3+])CCCCN1 ZINC000638140805 352004360 /nfs/dbraw/zinc/00/43/60/352004360.db2.gz DJSHARVDEQFGDK-CMPLNLGQSA-N 1 3 243.351 -0.144 20 0 BBADHO COC[C@]1(C(=O)NC[C@@H](C)C[NH3+])CCCCN1 ZINC000638140806 352004659 /nfs/dbraw/zinc/00/46/59/352004659.db2.gz DJSHARVDEQFGDK-JQWIXIFHSA-N 1 3 243.351 -0.144 20 0 BBADHO COC[C@]1(C(=O)NC[C@H](C)C[NH3+])CCCCN1 ZINC000638140807 352004699 /nfs/dbraw/zinc/00/46/99/352004699.db2.gz DJSHARVDEQFGDK-PWSUYJOCSA-N 1 3 243.351 -0.144 20 0 BBADHO COC[C@@]1(C(=O)NC[C@H](C)C[NH3+])CCCCN1 ZINC000638140808 352004770 /nfs/dbraw/zinc/00/47/70/352004770.db2.gz DJSHARVDEQFGDK-ZYHUDNBSSA-N 1 3 243.351 -0.144 20 0 BBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH3+] ZINC000638141138 352004732 /nfs/dbraw/zinc/00/47/32/352004732.db2.gz HKMQHCHQMAKJIN-SSDOTTSWSA-N 1 3 210.281 -0.028 20 0 BBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH3+] ZINC000638141139 352004805 /nfs/dbraw/zinc/00/48/05/352004805.db2.gz HKMQHCHQMAKJIN-ZETCQYMHSA-N 1 3 210.281 -0.028 20 0 BBADHO CCC[NH2+]CCNC(=O)CN1CCNCC1 ZINC000638146855 352011534 /nfs/dbraw/zinc/01/15/34/352011534.db2.gz PTXVTCPUDIKEQV-UHFFFAOYSA-N 1 3 228.340 -0.993 20 0 BBADHO CCC[NH2+]CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638148684 352010639 /nfs/dbraw/zinc/01/06/39/352010639.db2.gz ZMMHOFOVXXUDCO-DTWKUNHWSA-N 1 3 215.297 -0.782 20 0 BBADHO COCCNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000638152128 352011816 /nfs/dbraw/zinc/01/18/16/352011816.db2.gz JJVBXOSGQRYADD-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO COC[C@@]1(C(=O)NCC2C[NH2+]C2)CCCCN1 ZINC000638154204 352014419 /nfs/dbraw/zinc/01/44/19/352014419.db2.gz RZUXNPCGWNEDSC-GFCCVEGCSA-N 1 3 241.335 -0.519 20 0 BBADHO COCCNCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638154418 352014614 /nfs/dbraw/zinc/01/46/14/352014614.db2.gz OSPOFZKJEMVTBI-JTQLQIEISA-N 1 3 227.308 -0.614 20 0 BBADHO COCCNCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638154428 352014238 /nfs/dbraw/zinc/01/42/38/352014238.db2.gz OSPOFZKJEMVTBI-SNVBAGLBSA-N 1 3 227.308 -0.614 20 0 BBADHO COC[C@]1(C(=O)NCC2C[NH2+]C2)CCCCN1 ZINC000638154489 352014391 /nfs/dbraw/zinc/01/43/91/352014391.db2.gz RZUXNPCGWNEDSC-LBPRGKRZSA-N 1 3 241.335 -0.519 20 0 BBADHO COC[C@@]1(C(=O)N[C@@H](C)CC[NH3+])CCCCN1 ZINC000638157941 352025685 /nfs/dbraw/zinc/02/56/85/352025685.db2.gz XTXQSZOGQVTTSQ-CMPLNLGQSA-N 1 3 243.351 -0.001 20 0 BBADHO COC[C@]1(C(=O)N[C@@H](C)CC[NH3+])CCCCN1 ZINC000638157942 352025419 /nfs/dbraw/zinc/02/54/19/352025419.db2.gz XTXQSZOGQVTTSQ-JQWIXIFHSA-N 1 3 243.351 -0.001 20 0 BBADHO COC[C@]1(C(=O)N[C@H](C)CC[NH3+])CCCCN1 ZINC000638157943 352025736 /nfs/dbraw/zinc/02/57/36/352025736.db2.gz XTXQSZOGQVTTSQ-PWSUYJOCSA-N 1 3 243.351 -0.001 20 0 BBADHO COC[C@@]1(C(=O)N[C@H](C)CC[NH3+])CCCCN1 ZINC000638157944 352025692 /nfs/dbraw/zinc/02/56/92/352025692.db2.gz XTXQSZOGQVTTSQ-ZYHUDNBSSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@H](C)CN1 ZINC000638159627 352024144 /nfs/dbraw/zinc/02/41/44/352024144.db2.gz ROFRYHHVNTXKOM-GHMZBOCLSA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000638159628 352024098 /nfs/dbraw/zinc/02/40/98/352024098.db2.gz ROFRYHHVNTXKOM-MNOVXSKESA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000638159629 352023762 /nfs/dbraw/zinc/02/37/62/352023762.db2.gz ROFRYHHVNTXKOM-QWRGUYRKSA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CN1CC[NH2+]CC1 ZINC000638159630 352023823 /nfs/dbraw/zinc/02/38/23/352023823.db2.gz ROFRYHHVNTXKOM-WDEREUQCSA-N 1 3 240.351 -0.900 20 0 BBADHO CC1(CNC(=O)[C@@H]2OCC[C@@H]2N)CC[NH2+]CC1 ZINC000638161615 352028832 /nfs/dbraw/zinc/02/88/32/352028832.db2.gz GJFOWRFVDHMSBS-VHSXEESVSA-N 1 3 241.335 -0.392 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000638162261 352026397 /nfs/dbraw/zinc/02/63/97/352026397.db2.gz ODNFZPVHXUXTAG-SFYZADRCSA-N 1 3 213.281 -0.900 20 0 BBADHO C[C@@]1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCC[NH2+]C1 ZINC000638163852 352028143 /nfs/dbraw/zinc/02/81/43/352028143.db2.gz UEUIJKUICKJIAC-HOSYDEDBSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@]1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCC[NH2+]C1 ZINC000638163854 352028031 /nfs/dbraw/zinc/02/80/31/352028031.db2.gz UEUIJKUICKJIAC-UMNHJUIQSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@H](C[NH3+])NC(=O)c1cnn(CCN(C)C)c1 ZINC000638168952 352032908 /nfs/dbraw/zinc/03/29/08/352032908.db2.gz AWVFHTOEPQCUNW-SECBINFHSA-N 1 3 239.323 -0.478 20 0 BBADHO COC[C@]1(C(=O)N[C@H](C)C[NH3+])CCCCN1 ZINC000638172454 352039705 /nfs/dbraw/zinc/03/97/05/352039705.db2.gz XSYQWISKFMCINO-KOLCDFICSA-N 1 3 229.324 -0.392 20 0 BBADHO COC[C@@]1(C(=O)N[C@H](C)C[NH3+])CCCCN1 ZINC000638172456 352040023 /nfs/dbraw/zinc/04/00/23/352040023.db2.gz XSYQWISKFMCINO-MWLCHTKSSA-N 1 3 229.324 -0.392 20 0 BBADHO CC(C)CC[C@@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638173269 352037323 /nfs/dbraw/zinc/03/73/23/352037323.db2.gz VAFVCHKCUBIKBL-GHMZBOCLSA-N 1 3 243.351 -0.064 20 0 BBADHO CC(C)CC[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638173270 352037049 /nfs/dbraw/zinc/03/70/49/352037049.db2.gz VAFVCHKCUBIKBL-MNOVXSKESA-N 1 3 243.351 -0.064 20 0 BBADHO CC(C)CC[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638173271 352036813 /nfs/dbraw/zinc/03/68/13/352036813.db2.gz VAFVCHKCUBIKBL-QWRGUYRKSA-N 1 3 243.351 -0.064 20 0 BBADHO CC(C)CC[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638173272 352037344 /nfs/dbraw/zinc/03/73/44/352037344.db2.gz VAFVCHKCUBIKBL-WDEREUQCSA-N 1 3 243.351 -0.064 20 0 BBADHO [NH3+]Cc1ccc(NC(=O)CN2CCNCC2)cc1 ZINC000638173626 352037033 /nfs/dbraw/zinc/03/70/33/352037033.db2.gz AZXFFJCSAQOEID-UHFFFAOYSA-N 1 3 248.330 -0.011 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638177064 352043241 /nfs/dbraw/zinc/04/32/41/352043241.db2.gz HLQXZZCIMNXKEF-AATLWQCWSA-N 1 3 227.308 -0.783 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638177065 352043293 /nfs/dbraw/zinc/04/32/93/352043293.db2.gz HLQXZZCIMNXKEF-AXTSPUMRSA-N 1 3 227.308 -0.783 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638177066 352042884 /nfs/dbraw/zinc/04/28/84/352042884.db2.gz HLQXZZCIMNXKEF-UTINFBMNSA-N 1 3 227.308 -0.783 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638177067 352043017 /nfs/dbraw/zinc/04/30/17/352043017.db2.gz HLQXZZCIMNXKEF-XFWSIPNHSA-N 1 3 227.308 -0.783 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN1CCNCC1 ZINC000638177410 352044764 /nfs/dbraw/zinc/04/47/64/352044764.db2.gz JGPVOYWEBZEMLX-GHMZBOCLSA-N 1 3 240.351 -0.994 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN1CCNCC1 ZINC000638177412 352045378 /nfs/dbraw/zinc/04/53/78/352045378.db2.gz JGPVOYWEBZEMLX-MNOVXSKESA-N 1 3 240.351 -0.994 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN1CCNCC1 ZINC000638177414 352044782 /nfs/dbraw/zinc/04/47/82/352044782.db2.gz JGPVOYWEBZEMLX-QWRGUYRKSA-N 1 3 240.351 -0.994 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN1CCNCC1 ZINC000638177416 352044826 /nfs/dbraw/zinc/04/48/26/352044826.db2.gz JGPVOYWEBZEMLX-WDEREUQCSA-N 1 3 240.351 -0.994 20 0 BBADHO CO[C@@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000638185852 352051008 /nfs/dbraw/zinc/05/10/08/352051008.db2.gz DCKVMEHCOUUJQB-GRYCIOLGSA-N 1 3 226.320 -0.057 20 0 BBADHO CO[C@]1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000638185853 352050897 /nfs/dbraw/zinc/05/08/97/352050897.db2.gz DCKVMEHCOUUJQB-SRVKXCTJSA-N 1 3 226.320 -0.057 20 0 BBADHO CO[C@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000638185854 352051057 /nfs/dbraw/zinc/05/10/57/352051057.db2.gz DCKVMEHCOUUJQB-TUAOUCFPSA-N 1 3 226.320 -0.057 20 0 BBADHO CO[C@]1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCOC1 ZINC000638185855 352051177 /nfs/dbraw/zinc/05/11/77/352051177.db2.gz DCKVMEHCOUUJQB-UTUOFQBUSA-N 1 3 226.320 -0.057 20 0 BBADHO O=C(CN1CCNCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000638195922 352060432 /nfs/dbraw/zinc/06/04/32/352060432.db2.gz SDCYJPRBGFQNMM-LLVKDONJSA-N 1 3 240.351 -0.850 20 0 BBADHO O=C(CN1CCNCC1)N[C@H]1CCC[NH2+]CC1 ZINC000638195923 352060459 /nfs/dbraw/zinc/06/04/59/352060459.db2.gz SDCYJPRBGFQNMM-NSHDSACASA-N 1 3 240.351 -0.850 20 0 BBADHO CC(C)[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCN1 ZINC000638197370 352059309 /nfs/dbraw/zinc/05/93/09/352059309.db2.gz YYVKGWBOFXIDND-HBNTYKKESA-N 1 3 241.335 -0.441 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638198632 352061688 /nfs/dbraw/zinc/06/16/88/352061688.db2.gz DHEOKEXZBWBMOK-JLIMGVALSA-N 1 3 227.308 -0.511 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638198635 352061653 /nfs/dbraw/zinc/06/16/53/352061653.db2.gz DHEOKEXZBWBMOK-KYXWUPHJSA-N 1 3 227.308 -0.511 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638198636 352061621 /nfs/dbraw/zinc/06/16/21/352061621.db2.gz DHEOKEXZBWBMOK-QEYWKRMJSA-N 1 3 227.308 -0.511 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638198637 352061915 /nfs/dbraw/zinc/06/19/15/352061915.db2.gz DHEOKEXZBWBMOK-RGOKHQFPSA-N 1 3 227.308 -0.511 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)CN2CCNCC2)C1 ZINC000638199714 352063207 /nfs/dbraw/zinc/06/32/07/352063207.db2.gz LDZYIZQFGYMHJE-GHMZBOCLSA-N 1 3 240.351 -0.722 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)CN2CCNCC2)C1 ZINC000638199720 352063582 /nfs/dbraw/zinc/06/35/82/352063582.db2.gz LDZYIZQFGYMHJE-MNOVXSKESA-N 1 3 240.351 -0.722 20 0 BBADHO [NH3+][C@H]1CCC[C@H](NC(=O)CN2CCNCC2)C1 ZINC000638199721 352063338 /nfs/dbraw/zinc/06/33/38/352063338.db2.gz LDZYIZQFGYMHJE-QWRGUYRKSA-N 1 3 240.351 -0.722 20 0 BBADHO [NH3+][C@H]1CCC[C@@H](NC(=O)CN2CCNCC2)C1 ZINC000638199722 352063349 /nfs/dbraw/zinc/06/33/49/352063349.db2.gz LDZYIZQFGYMHJE-WDEREUQCSA-N 1 3 240.351 -0.722 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638199903 352063486 /nfs/dbraw/zinc/06/34/86/352063486.db2.gz GIGIAMBFLUAQMI-DBIOUOCHSA-N 1 3 239.319 -0.687 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638199904 352063454 /nfs/dbraw/zinc/06/34/54/352063454.db2.gz GIGIAMBFLUAQMI-VLEAKVRGSA-N 1 3 239.319 -0.687 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638199905 352063521 /nfs/dbraw/zinc/06/35/21/352063521.db2.gz GIGIAMBFLUAQMI-ZDCRXTMVSA-N 1 3 239.319 -0.687 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638199906 352063500 /nfs/dbraw/zinc/06/35/00/352063500.db2.gz GIGIAMBFLUAQMI-ZNSHCXBVSA-N 1 3 239.319 -0.687 20 0 BBADHO CC1(NC(=O)CN2CCNCC2)CC[NH2+]CC1 ZINC000638205551 352067392 /nfs/dbraw/zinc/06/73/92/352067392.db2.gz GRYDGEMTTXWTGU-UHFFFAOYSA-N 1 3 240.351 -0.850 20 0 BBADHO C[C@H]1NCCN(C(=O)CN2CC[NH2+]CC2)[C@@H]1C ZINC000638205675 352068309 /nfs/dbraw/zinc/06/83/09/352068309.db2.gz QMZIRQNQQJZWQR-GHMZBOCLSA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@H]1NCCN(C(=O)CN2CC[NH2+]CC2)[C@H]1C ZINC000638205676 352068251 /nfs/dbraw/zinc/06/82/51/352068251.db2.gz QMZIRQNQQJZWQR-MNOVXSKESA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@@H]1NCCN(C(=O)CN2CC[NH2+]CC2)[C@H]1C ZINC000638205677 352068593 /nfs/dbraw/zinc/06/85/93/352068593.db2.gz QMZIRQNQQJZWQR-QWRGUYRKSA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)CN1CC[NH2+]CC1 ZINC000638205678 352068360 /nfs/dbraw/zinc/06/83/60/352068360.db2.gz QMZIRQNQQJZWQR-WDEREUQCSA-N 1 3 240.351 -0.900 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638206040 352068460 /nfs/dbraw/zinc/06/84/60/352068460.db2.gz KURYVWSEMPXJRB-AATLWQCWSA-N 1 3 227.308 -0.641 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CN1CCNCC1 ZINC000638206220 352068277 /nfs/dbraw/zinc/06/82/77/352068277.db2.gz XQTCBTPMWHJHCP-GHMZBOCLSA-N 1 3 240.351 -0.994 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CN1CCNCC1 ZINC000638206223 352068285 /nfs/dbraw/zinc/06/82/85/352068285.db2.gz XQTCBTPMWHJHCP-MNOVXSKESA-N 1 3 240.351 -0.994 20 0 BBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CN1CCNCC1 ZINC000638206225 352068377 /nfs/dbraw/zinc/06/83/77/352068377.db2.gz XQTCBTPMWHJHCP-QWRGUYRKSA-N 1 3 240.351 -0.994 20 0 BBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CN1CCNCC1 ZINC000638206227 352068166 /nfs/dbraw/zinc/06/81/66/352068166.db2.gz XQTCBTPMWHJHCP-WDEREUQCSA-N 1 3 240.351 -0.994 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CN1CCNCC1 ZINC000638207643 352069799 /nfs/dbraw/zinc/06/97/99/352069799.db2.gz QKKYVQUCUVGJHW-QWRGUYRKSA-N 1 3 240.351 -0.852 20 0 BBADHO CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CC[C@H]1[NH3+] ZINC000638209133 352071503 /nfs/dbraw/zinc/07/15/03/352071503.db2.gz WNDLDSAVLDEKNO-CHWFTXMASA-N 1 3 241.335 -0.312 20 0 BBADHO CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CC[C@@H]1[NH3+] ZINC000638209136 352071243 /nfs/dbraw/zinc/07/12/43/352071243.db2.gz WNDLDSAVLDEKNO-VPOLOUISSA-N 1 3 241.335 -0.312 20 0 BBADHO CC[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CC[C@@H]1[NH3+] ZINC000638209139 352071196 /nfs/dbraw/zinc/07/11/96/352071196.db2.gz WNDLDSAVLDEKNO-XWLWVQCSSA-N 1 3 241.335 -0.312 20 0 BBADHO CC[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CC[C@H]1[NH3+] ZINC000638209141 352071292 /nfs/dbraw/zinc/07/12/92/352071292.db2.gz WNDLDSAVLDEKNO-ZRUFSTJUSA-N 1 3 241.335 -0.312 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)c1cnn(CCN(C)C)c1 ZINC000638209531 352072243 /nfs/dbraw/zinc/07/22/43/352072243.db2.gz BBZOEFYCUIAXCS-SECBINFHSA-N 1 3 239.323 -0.478 20 0 BBADHO C[C@H]([NH3+])CNC(=O)c1cnn(CCN(C)C)c1 ZINC000638209536 352072181 /nfs/dbraw/zinc/07/21/81/352072181.db2.gz BBZOEFYCUIAXCS-VIFPVBQESA-N 1 3 239.323 -0.478 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)CN2CCNCC2)CC[NH2+]1 ZINC000638210015 352072614 /nfs/dbraw/zinc/07/26/14/352072614.db2.gz GNWFIJQGRIAKGD-GHMZBOCLSA-N 1 3 240.351 -0.852 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)CN2CCNCC2)CC[NH2+]1 ZINC000638210018 352072852 /nfs/dbraw/zinc/07/28/52/352072852.db2.gz GNWFIJQGRIAKGD-MNOVXSKESA-N 1 3 240.351 -0.852 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)CN2CCNCC2)CC[NH2+]1 ZINC000638210019 352072696 /nfs/dbraw/zinc/07/26/96/352072696.db2.gz GNWFIJQGRIAKGD-QWRGUYRKSA-N 1 3 240.351 -0.852 20 0 BBADHO C[C@H]1C[C@H](NC(=O)CN2CCNCC2)CC[NH2+]1 ZINC000638210021 352072838 /nfs/dbraw/zinc/07/28/38/352072838.db2.gz GNWFIJQGRIAKGD-WDEREUQCSA-N 1 3 240.351 -0.852 20 0 BBADHO COC[C@@]1(C(=O)NC[C@H](C)[NH3+])CCCCN1 ZINC000638210468 352073508 /nfs/dbraw/zinc/07/35/08/352073508.db2.gz HIYMYMSATOXWLG-GXSJLCMTSA-N 1 3 229.324 -0.392 20 0 BBADHO COC[C@]1(C(=O)NC[C@@H](C)[NH3+])CCCCN1 ZINC000638210469 352073467 /nfs/dbraw/zinc/07/34/67/352073467.db2.gz HIYMYMSATOXWLG-KOLCDFICSA-N 1 3 229.324 -0.392 20 0 BBADHO COC[C@@]1(C(=O)NC[C@@H](C)[NH3+])CCCCN1 ZINC000638210470 352073453 /nfs/dbraw/zinc/07/34/53/352073453.db2.gz HIYMYMSATOXWLG-MWLCHTKSSA-N 1 3 229.324 -0.392 20 0 BBADHO COC[C@]1(C(=O)NC[C@H](C)[NH3+])CCCCN1 ZINC000638210471 352073411 /nfs/dbraw/zinc/07/34/11/352073411.db2.gz HIYMYMSATOXWLG-ONGXEEELSA-N 1 3 229.324 -0.392 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638211792 352074154 /nfs/dbraw/zinc/07/41/54/352074154.db2.gz BNNWRQKCHWVKNT-HRDYMLBCSA-N 1 3 215.297 -0.783 20 0 BBADHO CCN[C@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213872 352075731 /nfs/dbraw/zinc/07/57/31/352075731.db2.gz QQEFPRYQTHFLJW-BBBLOLIVSA-N 1 3 211.309 -0.338 20 0 BBADHO CCN[C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213874 352075618 /nfs/dbraw/zinc/07/56/18/352075618.db2.gz QQEFPRYQTHFLJW-LPEHRKFASA-N 1 3 211.309 -0.338 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)CN1CCNCC1 ZINC000638214107 352076302 /nfs/dbraw/zinc/07/63/02/352076302.db2.gz VKBOXNAARIVRMD-SNVBAGLBSA-N 1 3 228.340 -0.994 20 0 BBADHO N[C@H]1CCO[C@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000638215528 352078051 /nfs/dbraw/zinc/07/80/51/352078051.db2.gz ABHVCAHZILFQTH-GARJFASQSA-N 1 3 241.335 -0.310 20 0 BBADHO N[C@H]1CCO[C@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000638215529 352078308 /nfs/dbraw/zinc/07/83/08/352078308.db2.gz ABHVCAHZILFQTH-OUAUKWLOSA-N 1 3 241.335 -0.310 20 0 BBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCN(C)C)C1 ZINC000638225955 352081874 /nfs/dbraw/zinc/08/18/74/352081874.db2.gz BOIVMCZEHMEAML-GXSJLCMTSA-N 1 3 229.324 -0.569 20 0 BBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCN(C)C)C1 ZINC000638225957 352082016 /nfs/dbraw/zinc/08/20/16/352082016.db2.gz BOIVMCZEHMEAML-KOLCDFICSA-N 1 3 229.324 -0.569 20 0 BBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCN(C)C)C1 ZINC000638225959 352082313 /nfs/dbraw/zinc/08/23/13/352082313.db2.gz BOIVMCZEHMEAML-MWLCHTKSSA-N 1 3 229.324 -0.569 20 0 BBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCN(C)C)C1 ZINC000638225961 352082427 /nfs/dbraw/zinc/08/24/27/352082427.db2.gz BOIVMCZEHMEAML-ONGXEEELSA-N 1 3 229.324 -0.569 20 0 BBADHO CN(C)CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638227930 352084410 /nfs/dbraw/zinc/08/44/10/352084410.db2.gz USNINDUZMQUBGA-LLVKDONJSA-N 1 3 229.324 -0.580 20 0 BBADHO CN(C)CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638227934 352084534 /nfs/dbraw/zinc/08/45/34/352084534.db2.gz USNINDUZMQUBGA-NSHDSACASA-N 1 3 229.324 -0.580 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1OCC[C@@H]1N ZINC000638233994 352085720 /nfs/dbraw/zinc/08/57/20/352085720.db2.gz IHWGIOSXHFDSDX-XSPKLOCKSA-N 1 3 213.281 -0.949 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638242451 352089568 /nfs/dbraw/zinc/08/95/68/352089568.db2.gz FAJAJTPYQKEESX-KXUCPTDWSA-N 1 3 229.324 -0.264 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638242452 352089489 /nfs/dbraw/zinc/08/94/89/352089489.db2.gz FAJAJTPYQKEESX-LPEHRKFASA-N 1 3 229.324 -0.264 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)CN1CCNCC1 ZINC000638244825 352092497 /nfs/dbraw/zinc/09/24/97/352092497.db2.gz ZSZPCFFPRMWBCS-LLVKDONJSA-N 1 3 242.367 -0.475 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)CN1CCNCC1 ZINC000638244826 352092432 /nfs/dbraw/zinc/09/24/32/352092432.db2.gz ZSZPCFFPRMWBCS-NSHDSACASA-N 1 3 242.367 -0.475 20 0 BBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638245294 352092478 /nfs/dbraw/zinc/09/24/78/352092478.db2.gz NXBGAPUYWUKWQP-VROVMSAKSA-N 1 3 220.276 -0.405 20 0 BBADHO O=C(CCC1C[NH2+]C1)NC[C@@H]1C[C@H](F)CN1 ZINC000638246838 352093415 /nfs/dbraw/zinc/09/34/15/352093415.db2.gz FSQWLEOLUAXOHP-UWVGGRQHSA-N 1 3 229.299 -0.198 20 0 BBADHO CC(C)(CCC[NH3+])NC(=O)CN1CCNCC1 ZINC000638246974 352093279 /nfs/dbraw/zinc/09/32/79/352093279.db2.gz MHCSSMHOCJYXNE-UHFFFAOYSA-N 1 3 242.367 -0.475 20 0 BBADHO [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638249533 352095147 /nfs/dbraw/zinc/09/51/47/352095147.db2.gz ZJRGCKTZMSMGJL-AEJSXWLSSA-N 1 3 227.283 -0.150 20 0 BBADHO [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638249534 352095377 /nfs/dbraw/zinc/09/53/77/352095377.db2.gz ZJRGCKTZMSMGJL-GUBZILKMSA-N 1 3 227.283 -0.150 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)CN1CCNCC1 ZINC000638250787 386054690 /nfs/dbraw/zinc/05/46/90/386054690.db2.gz ACJWBNMKRVOGNP-JTQLQIEISA-N 1 3 228.340 -0.865 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)CN1CCNCC1 ZINC000638250788 386055691 /nfs/dbraw/zinc/05/56/91/386055691.db2.gz ACJWBNMKRVOGNP-SNVBAGLBSA-N 1 3 228.340 -0.865 20 0 BBADHO COC[C@]1(C(=O)N[C@H](C)[C@@H](C)[NH3+])CCCCN1 ZINC000638256700 352100075 /nfs/dbraw/zinc/10/00/75/352100075.db2.gz QSSZDTURWWONSX-FOGDFJRCSA-N 1 3 243.351 -0.003 20 0 BBADHO COC[C@]1(C(=O)N[C@@H](C)[C@H](C)[NH3+])CCCCN1 ZINC000638256701 352100013 /nfs/dbraw/zinc/10/00/13/352100013.db2.gz QSSZDTURWWONSX-NHCYSSNCSA-N 1 3 243.351 -0.003 20 0 BBADHO COC[C@]1(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CCCCN1 ZINC000638256702 352099984 /nfs/dbraw/zinc/09/99/84/352099984.db2.gz QSSZDTURWWONSX-SCVCMEIPSA-N 1 3 243.351 -0.003 20 0 BBADHO COC[C@]1(C(=O)N[C@H](C)[C@H](C)[NH3+])CCCCN1 ZINC000638256703 352099992 /nfs/dbraw/zinc/09/99/92/352099992.db2.gz QSSZDTURWWONSX-UMNHJUIQSA-N 1 3 243.351 -0.003 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)[C@]1(COC)CCCCN1 ZINC000638259761 352103138 /nfs/dbraw/zinc/10/31/38/352103138.db2.gz SOGGQRRRYJQMPQ-CMPLNLGQSA-N 1 3 243.351 -0.001 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)[C@@]1(COC)CCCCN1 ZINC000638259762 352102887 /nfs/dbraw/zinc/10/28/87/352102887.db2.gz SOGGQRRRYJQMPQ-JQWIXIFHSA-N 1 3 243.351 -0.001 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)[C@@]1(COC)CCCCN1 ZINC000638259764 352103005 /nfs/dbraw/zinc/10/30/05/352103005.db2.gz SOGGQRRRYJQMPQ-PWSUYJOCSA-N 1 3 243.351 -0.001 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)[C@]1(COC)CCCCN1 ZINC000638259766 352102996 /nfs/dbraw/zinc/10/29/96/352102996.db2.gz SOGGQRRRYJQMPQ-ZYHUDNBSSA-N 1 3 243.351 -0.001 20 0 BBADHO CN(C(=O)CN1CCNCC1)C1(C[NH3+])CCC1 ZINC000638261963 352104144 /nfs/dbraw/zinc/10/41/44/352104144.db2.gz JVEHWQYHBHOWRI-UHFFFAOYSA-N 1 3 240.351 -0.769 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000638264646 352104815 /nfs/dbraw/zinc/10/48/15/352104815.db2.gz GIKZQJMWZWCIED-AXFHLTTASA-N 1 3 241.335 -0.249 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000638264647 352104875 /nfs/dbraw/zinc/10/48/75/352104875.db2.gz GIKZQJMWZWCIED-MXWKQRLJSA-N 1 3 241.335 -0.249 20 0 BBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CN2CCNCC2)C1 ZINC000638269562 352108637 /nfs/dbraw/zinc/10/86/37/352108637.db2.gz QYBJRFPCIFYAAZ-GHMZBOCLSA-N 1 3 240.351 -0.865 20 0 BBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)CN2CCNCC2)C1 ZINC000638269563 352108826 /nfs/dbraw/zinc/10/88/26/352108826.db2.gz QYBJRFPCIFYAAZ-MNOVXSKESA-N 1 3 240.351 -0.865 20 0 BBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)CN2CCNCC2)C1 ZINC000638269564 352108426 /nfs/dbraw/zinc/10/84/26/352108426.db2.gz QYBJRFPCIFYAAZ-QWRGUYRKSA-N 1 3 240.351 -0.865 20 0 BBADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)CN2CCNCC2)C1 ZINC000638269565 352108641 /nfs/dbraw/zinc/10/86/41/352108641.db2.gz QYBJRFPCIFYAAZ-WDEREUQCSA-N 1 3 240.351 -0.865 20 0 BBADHO CC1(C)CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCN1 ZINC000638270333 352107140 /nfs/dbraw/zinc/10/71/40/352107140.db2.gz HJUGGISVXONSLJ-DTWKUNHWSA-N 1 3 227.308 -0.687 20 0 BBADHO CC1(C)CN(C(=O)CN2CC[NH2+]CC2)CCN1 ZINC000638271040 352109163 /nfs/dbraw/zinc/10/91/63/352109163.db2.gz QZCJFNRGXLIBNW-UHFFFAOYSA-N 1 3 240.351 -0.898 20 0 BBADHO CC1(C)CN(C(=O)[C@@]2(C)CNCCO2)CC[NH2+]1 ZINC000638271136 352109542 /nfs/dbraw/zinc/10/95/42/352109542.db2.gz SUOJYXJOVHMUTA-GFCCVEGCSA-N 1 3 241.335 -0.425 20 0 BBADHO CC1(C)CN(C(=O)[C@]2(C)CNCCO2)CC[NH2+]1 ZINC000638271137 352109375 /nfs/dbraw/zinc/10/93/75/352109375.db2.gz SUOJYXJOVHMUTA-LBPRGKRZSA-N 1 3 241.335 -0.425 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)CN1CCNCC1 ZINC000638271683 352109258 /nfs/dbraw/zinc/10/92/58/352109258.db2.gz ZVRQLWUKAWUEOE-JTQLQIEISA-N 1 3 240.351 -0.852 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC(=O)CN1CCNCC1 ZINC000638271684 352110200 /nfs/dbraw/zinc/11/02/00/352110200.db2.gz ZVRQLWUKAWUEOE-SNVBAGLBSA-N 1 3 240.351 -0.852 20 0 BBADHO CN(C)CCOCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638291309 352126939 /nfs/dbraw/zinc/12/69/39/352126939.db2.gz OCZPQXDWMLTBHH-LLVKDONJSA-N 1 3 241.335 -0.272 20 0 BBADHO CN(C)CCOCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638291310 352127076 /nfs/dbraw/zinc/12/70/76/352127076.db2.gz OCZPQXDWMLTBHH-NSHDSACASA-N 1 3 241.335 -0.272 20 0 BBADHO CCN(CCC[NH+](C)C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638291729 352127232 /nfs/dbraw/zinc/12/72/32/352127232.db2.gz AGWQAIAGWQNLRC-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CC[NH2+][C@@H](C)C(=O)NCCOCCN(C)C ZINC000638292069 352127923 /nfs/dbraw/zinc/12/79/23/352127923.db2.gz UFNGWDTYFBMWIN-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO CC[NH2+][C@H](C)C(=O)NCCOCCN(C)C ZINC000638292075 352128052 /nfs/dbraw/zinc/12/80/52/352128052.db2.gz UFNGWDTYFBMWIN-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO CN(C)CCOCCNC(=O)CCC1C[NH2+]C1 ZINC000638292668 352127825 /nfs/dbraw/zinc/12/78/25/352127825.db2.gz XRKSZKITEKHPSI-UHFFFAOYSA-N 1 3 243.351 -0.320 20 0 BBADHO CN(C(=O)CN1CCNCC1)[C@H](C[NH3+])C1CC1 ZINC000638333198 352151911 /nfs/dbraw/zinc/15/19/11/352151911.db2.gz UTOMTTHRQNEVFF-LLVKDONJSA-N 1 3 240.351 -0.913 20 0 BBADHO CN(C(=O)CN1CCNCC1)[C@@H](C[NH3+])C1CC1 ZINC000638333200 352151487 /nfs/dbraw/zinc/15/14/87/352151487.db2.gz UTOMTTHRQNEVFF-NSHDSACASA-N 1 3 240.351 -0.913 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)CN1CCNCC1 ZINC000638336019 352154466 /nfs/dbraw/zinc/15/44/66/352154466.db2.gz PLEOIWZSUVDORX-JTQLQIEISA-N 1 3 242.367 -0.619 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)CN1CCNCC1 ZINC000638336020 352154312 /nfs/dbraw/zinc/15/43/12/352154312.db2.gz PLEOIWZSUVDORX-SNVBAGLBSA-N 1 3 242.367 -0.619 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@]1(C)C[NH3+] ZINC000638336601 352155150 /nfs/dbraw/zinc/15/51/50/352155150.db2.gz CJPMPSQQNMVMNU-DTHBNOIPSA-N 1 3 241.335 -0.454 20 0 BBADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000638336997 352155145 /nfs/dbraw/zinc/15/51/45/352155145.db2.gz ANXRAKKMVYKOEG-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[NH+](C)CC1(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000638336998 352154918 /nfs/dbraw/zinc/15/49/18/352154918.db2.gz ANXRAKKMVYKOEG-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CNCCO2)C1 ZINC000638337044 352155322 /nfs/dbraw/zinc/15/53/22/352155322.db2.gz BRNKTECEZUCZPJ-GHMZBOCLSA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CNCCO2)C1 ZINC000638337044 352155318 /nfs/dbraw/zinc/15/53/18/352155318.db2.gz BRNKTECEZUCZPJ-GHMZBOCLSA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CNCCO2)C1 ZINC000638337045 352155420 /nfs/dbraw/zinc/15/54/20/352155420.db2.gz BRNKTECEZUCZPJ-MNOVXSKESA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CNCCO2)C1 ZINC000638337045 352155416 /nfs/dbraw/zinc/15/54/16/352155416.db2.gz BRNKTECEZUCZPJ-MNOVXSKESA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CNCCO2)C1 ZINC000638337046 352155250 /nfs/dbraw/zinc/15/52/50/352155250.db2.gz BRNKTECEZUCZPJ-QWRGUYRKSA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CNCCO2)C1 ZINC000638337046 352155246 /nfs/dbraw/zinc/15/52/46/352155246.db2.gz BRNKTECEZUCZPJ-QWRGUYRKSA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CNCCO2)C1 ZINC000638337047 352155098 /nfs/dbraw/zinc/15/50/98/352155098.db2.gz BRNKTECEZUCZPJ-WDEREUQCSA-N 1 3 241.335 -0.567 20 0 BBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CNCCO2)C1 ZINC000638337047 352155097 /nfs/dbraw/zinc/15/50/97/352155097.db2.gz BRNKTECEZUCZPJ-WDEREUQCSA-N 1 3 241.335 -0.567 20 0 BBADHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000638338033 352157809 /nfs/dbraw/zinc/15/78/09/352157809.db2.gz PQKPNIJBNWDGPE-BDAKNGLRSA-N 1 3 215.297 -0.911 20 0 BBADHO CC[NH2+][C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000638338034 352158035 /nfs/dbraw/zinc/15/80/35/352158035.db2.gz PQKPNIJBNWDGPE-DTWKUNHWSA-N 1 3 215.297 -0.911 20 0 BBADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000638338035 352158336 /nfs/dbraw/zinc/15/83/36/352158336.db2.gz PQKPNIJBNWDGPE-IUCAKERBSA-N 1 3 215.297 -0.911 20 0 BBADHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000638338036 352157895 /nfs/dbraw/zinc/15/78/95/352157895.db2.gz PQKPNIJBNWDGPE-RKDXNWHRSA-N 1 3 215.297 -0.911 20 0 BBADHO C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@H]1C[NH3+] ZINC000638343518 352162257 /nfs/dbraw/zinc/16/22/57/352162257.db2.gz RNRJYNWZHIBYKB-CHWFTXMASA-N 1 3 241.335 -0.454 20 0 BBADHO C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H]1C[NH3+] ZINC000638343520 352162288 /nfs/dbraw/zinc/16/22/88/352162288.db2.gz RNRJYNWZHIBYKB-VPOLOUISSA-N 1 3 241.335 -0.454 20 0 BBADHO C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H]1C[NH3+] ZINC000638343522 352162476 /nfs/dbraw/zinc/16/24/76/352162476.db2.gz RNRJYNWZHIBYKB-XWLWVQCSSA-N 1 3 241.335 -0.454 20 0 BBADHO C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@H]1C[NH3+] ZINC000638343524 352162515 /nfs/dbraw/zinc/16/25/15/352162515.db2.gz RNRJYNWZHIBYKB-ZRUFSTJUSA-N 1 3 241.335 -0.454 20 0 BBADHO COC[C@@]1(C(=O)N(C)CC[NH3+])CCCCN1 ZINC000638343875 352163129 /nfs/dbraw/zinc/16/31/29/352163129.db2.gz PTIQLDYPOVYBMN-LLVKDONJSA-N 1 3 229.324 -0.438 20 0 BBADHO COC[C@]1(C(=O)N(C)CC[NH3+])CCCCN1 ZINC000638343876 352162921 /nfs/dbraw/zinc/16/29/21/352162921.db2.gz PTIQLDYPOVYBMN-NSHDSACASA-N 1 3 229.324 -0.438 20 0 BBADHO CN(C)CCn1cc(C(=O)N(C)CC[NH3+])cn1 ZINC000638343963 352163019 /nfs/dbraw/zinc/16/30/19/352163019.db2.gz QBMCKJHCBCITQC-UHFFFAOYSA-N 1 3 239.323 -0.525 20 0 BBADHO C[NH2+]CCCN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638347942 352166149 /nfs/dbraw/zinc/16/61/49/352166149.db2.gz XMNWQCQHJLBJRE-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)CN1CCNCC1 ZINC000638356124 352168535 /nfs/dbraw/zinc/16/85/35/352168535.db2.gz WPJWCZIJXAICJS-UHFFFAOYSA-N 1 3 228.340 -0.865 20 0 BBADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CN1CCNCC1 ZINC000638364828 352175487 /nfs/dbraw/zinc/17/54/87/352175487.db2.gz RXUOSBONYZRBRX-GHMZBOCLSA-N 1 3 240.351 -0.722 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638370010 352181130 /nfs/dbraw/zinc/18/11/30/352181130.db2.gz KPUUWLGZCGXCNG-LURQLKTLSA-N 1 3 215.297 -0.655 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638370011 352180979 /nfs/dbraw/zinc/18/09/79/352180979.db2.gz KPUUWLGZCGXCNG-RYPBNFRJSA-N 1 3 215.297 -0.655 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638370012 352181145 /nfs/dbraw/zinc/18/11/45/352181145.db2.gz KPUUWLGZCGXCNG-UYXSQOIJSA-N 1 3 215.297 -0.655 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638370013 352181012 /nfs/dbraw/zinc/18/10/12/352181012.db2.gz KPUUWLGZCGXCNG-XSPKLOCKSA-N 1 3 215.297 -0.655 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CN1CCNCC1 ZINC000638372237 352182485 /nfs/dbraw/zinc/18/24/85/352182485.db2.gz VWXAOPXPEMKTSX-NXEZZACHSA-N 1 3 228.340 -0.866 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CN1CCNCC1 ZINC000638372238 352182502 /nfs/dbraw/zinc/18/25/02/352182502.db2.gz VWXAOPXPEMKTSX-UWVGGRQHSA-N 1 3 228.340 -0.866 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)CN1CCNCC1 ZINC000638372241 352182231 /nfs/dbraw/zinc/18/22/31/352182231.db2.gz VWXAOPXPEMKTSX-VHSXEESVSA-N 1 3 228.340 -0.866 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)CN1CCNCC1 ZINC000638372242 352182361 /nfs/dbraw/zinc/18/23/61/352182361.db2.gz VWXAOPXPEMKTSX-ZJUUUORDSA-N 1 3 228.340 -0.866 20 0 BBADHO O=C(CN1CCNCC1)NCCC[NH2+]C1CC1 ZINC000638374028 352186619 /nfs/dbraw/zinc/18/66/19/352186619.db2.gz HMKKDWYFZCOZHR-UHFFFAOYSA-N 1 3 240.351 -0.850 20 0 BBADHO N[C@H]1CCO[C@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000638374061 352187169 /nfs/dbraw/zinc/18/71/69/352187169.db2.gz IBJXIKOMDLDFJF-NWDGAFQWSA-N 1 3 249.314 -0.122 20 0 BBADHO [NH3+]CC1(CCNC(=O)CN2CCNCC2)CC1 ZINC000638387894 352197311 /nfs/dbraw/zinc/19/73/11/352197311.db2.gz KJTXJMCERFPXHY-UHFFFAOYSA-N 1 3 240.351 -0.863 20 0 BBADHO N[C@H]1CCO[C@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000638390205 352198018 /nfs/dbraw/zinc/19/80/18/352198018.db2.gz HKMHWDLDBPAHHE-WDEREUQCSA-N 1 3 241.335 -0.310 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000638394628 352200906 /nfs/dbraw/zinc/20/09/06/352200906.db2.gz XLCRULUJWBREKP-MNOVXSKESA-N 1 3 241.335 -0.392 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)CN1CCNCC1 ZINC000638402567 352208928 /nfs/dbraw/zinc/20/89/28/352208928.db2.gz RAPPJQUIIZOALB-UHFFFAOYSA-N 1 3 228.340 -0.913 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1OCC[C@@H]1N ZINC000638402780 352208743 /nfs/dbraw/zinc/20/87/43/352208743.db2.gz RVMZXQFHMZDVJY-JGVFFNPUSA-N 1 3 215.297 -0.702 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000638408479 352214872 /nfs/dbraw/zinc/21/48/72/352214872.db2.gz BTPIHTAWMQYABN-BDAKNGLRSA-N 1 3 227.308 -0.510 20 0 BBADHO [NH3+]C1(CNC(=O)CN2CCNCC2)CCCC1 ZINC000638408523 352215565 /nfs/dbraw/zinc/21/55/65/352215565.db2.gz CINNHZGDLVXBIN-UHFFFAOYSA-N 1 3 240.351 -0.721 20 0 BBADHO C[C@H](CCNC(=O)CN1CCNCC1)[NH+](C)C ZINC000638410143 352217315 /nfs/dbraw/zinc/21/73/15/352217315.db2.gz WIIJCHPYPRLKEM-LLVKDONJSA-N 1 3 242.367 -0.652 20 0 BBADHO C[C@@H](CCNC(=O)CN1CCNCC1)[NH+](C)C ZINC000638410144 352218023 /nfs/dbraw/zinc/21/80/23/352218023.db2.gz WIIJCHPYPRLKEM-NSHDSACASA-N 1 3 242.367 -0.652 20 0 BBADHO C[C@H](CCNC(=O)[C@@H]1OCC[C@@H]1N)[NH+](C)C ZINC000638410316 352218056 /nfs/dbraw/zinc/21/80/56/352218056.db2.gz YYLYUVNERMHGEG-KXUCPTDWSA-N 1 3 229.324 -0.441 20 0 BBADHO C[C@@H](CCNC(=O)[C@@H]1OCC[C@@H]1N)[NH+](C)C ZINC000638410317 352217786 /nfs/dbraw/zinc/21/77/86/352217786.db2.gz YYLYUVNERMHGEG-LPEHRKFASA-N 1 3 229.324 -0.441 20 0 BBADHO CCN[C@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638427467 352235656 /nfs/dbraw/zinc/23/56/56/352235656.db2.gz KRZZVQLRKAMIAW-FKTRJACZSA-N 1 3 211.309 -0.147 20 0 BBADHO CCN[C@@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638427468 352235626 /nfs/dbraw/zinc/23/56/26/352235626.db2.gz KRZZVQLRKAMIAW-SILCLGDVSA-N 1 3 211.309 -0.147 20 0 BBADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638427998 352236476 /nfs/dbraw/zinc/23/64/76/352236476.db2.gz OSXBHRYBIPPMDE-KXUCPTDWSA-N 1 3 229.324 -0.408 20 0 BBADHO CC(C)[C@H]([NH3+])CCNC(=O)CN1CCNCC1 ZINC000638429329 352238035 /nfs/dbraw/zinc/23/80/35/352238035.db2.gz GGSBVYCMQJILPJ-LLVKDONJSA-N 1 3 242.367 -0.619 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2[NH3+])CC[C@H]1F ZINC000638430107 352237765 /nfs/dbraw/zinc/23/77/65/352237765.db2.gz HQYNMQWTQDCNAJ-BGZDPUMWSA-N 1 3 231.271 -1.000 20 0 BBADHO C[C@H]([NH3+])CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638430509 352238553 /nfs/dbraw/zinc/23/85/53/352238553.db2.gz LIFXCUDWRKVXHD-XLPZGREQSA-N 1 3 203.261 -0.379 20 0 BBADHO N[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[C@H]1F ZINC000638431011 352238792 /nfs/dbraw/zinc/23/87/92/352238792.db2.gz OQOTYCWDZOCOQF-IVZWLZJFSA-N 1 3 227.283 -0.068 20 0 BBADHO N[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[C@H]1F ZINC000638431019 352239360 /nfs/dbraw/zinc/23/93/60/352239360.db2.gz OQOTYCWDZOCOQF-OPRDCNLKSA-N 1 3 227.283 -0.068 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC000638431987 352237178 /nfs/dbraw/zinc/23/71/78/352237178.db2.gz HOTXXLODWBHPCT-SSDOTTSWSA-N 1 3 210.281 -0.015 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC000638431988 352237244 /nfs/dbraw/zinc/23/72/44/352237244.db2.gz HOTXXLODWBHPCT-ZETCQYMHSA-N 1 3 210.281 -0.015 20 0 BBADHO CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638432159 352240953 /nfs/dbraw/zinc/24/09/53/352240953.db2.gz WMHVECSXYCOXOS-DJLDLDEBSA-N 1 3 217.288 -0.118 20 0 BBADHO CC[NH2+][C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638432161 352240977 /nfs/dbraw/zinc/24/09/77/352240977.db2.gz WMHVECSXYCOXOS-IWSPIJDZSA-N 1 3 217.288 -0.118 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)[C@]1(COC)CCCCN1 ZINC000638432821 352241580 /nfs/dbraw/zinc/24/15/80/352241580.db2.gz NJMBDJSRCRLOGI-CMPLNLGQSA-N 1 3 243.351 -0.131 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)[C@@]1(COC)CCCCN1 ZINC000638432823 352241320 /nfs/dbraw/zinc/24/13/20/352241320.db2.gz NJMBDJSRCRLOGI-JQWIXIFHSA-N 1 3 243.351 -0.131 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)[C@@]1(COC)CCCCN1 ZINC000638432825 352241483 /nfs/dbraw/zinc/24/14/83/352241483.db2.gz NJMBDJSRCRLOGI-PWSUYJOCSA-N 1 3 243.351 -0.131 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)[C@]1(COC)CCCCN1 ZINC000638432827 352241709 /nfs/dbraw/zinc/24/17/09/352241709.db2.gz NJMBDJSRCRLOGI-ZYHUDNBSSA-N 1 3 243.351 -0.131 20 0 BBADHO CC[NH2+][C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000638436866 352244684 /nfs/dbraw/zinc/24/46/84/352244684.db2.gz GVQFWPKRZAWNPK-SECBINFHSA-N 1 3 227.308 -0.815 20 0 BBADHO CC[NH2+][C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000638436867 352244731 /nfs/dbraw/zinc/24/47/31/352244731.db2.gz GVQFWPKRZAWNPK-VIFPVBQESA-N 1 3 227.308 -0.815 20 0 BBADHO [NH3+][C@H]1CC=C(C(=O)N2CCOC3(CNC3)C2)C1 ZINC000638438437 352246146 /nfs/dbraw/zinc/24/61/46/352246146.db2.gz WHBGFIMNCDAEEK-JTQLQIEISA-N 1 3 237.303 -0.765 20 0 BBADHO [NH3+][C@@H]1CC=C(C(=O)N2CCOC3(CNC3)C2)C1 ZINC000638438441 352245772 /nfs/dbraw/zinc/24/57/72/352245772.db2.gz WHBGFIMNCDAEEK-SNVBAGLBSA-N 1 3 237.303 -0.765 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000638442179 352251348 /nfs/dbraw/zinc/25/13/48/352251348.db2.gz PKVKCUAISONRIY-MIZYBKAJSA-N 1 3 239.319 -0.558 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000638442180 352251578 /nfs/dbraw/zinc/25/15/78/352251578.db2.gz PKVKCUAISONRIY-MWGHHZFTSA-N 1 3 239.319 -0.558 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000638442181 352251431 /nfs/dbraw/zinc/25/14/31/352251431.db2.gz PKVKCUAISONRIY-SVDPJWKOSA-N 1 3 239.319 -0.558 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000638442182 352251602 /nfs/dbraw/zinc/25/16/02/352251602.db2.gz PKVKCUAISONRIY-WYFGTUCQSA-N 1 3 239.319 -0.558 20 0 BBADHO C[NH+](C)CCCCNCc1cnc(N)nc1N ZINC000638451773 352262352 /nfs/dbraw/zinc/26/23/52/352262352.db2.gz QKGKOWXQBBYSTJ-UHFFFAOYSA-N 1 3 238.339 -0.267 20 0 BBADHO COCC[NH2+]CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638483866 352293422 /nfs/dbraw/zinc/29/34/22/352293422.db2.gz NGQAMGKXIAMXGX-LLVKDONJSA-N 1 3 243.351 -0.321 20 0 BBADHO COCC[NH2+]CC(=O)N1CCNC[C@H]1C(C)C ZINC000638483876 352293319 /nfs/dbraw/zinc/29/33/19/352293319.db2.gz NGQAMGKXIAMXGX-NSHDSACASA-N 1 3 243.351 -0.321 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638496370 352313576 /nfs/dbraw/zinc/31/35/76/352313576.db2.gz CQRVHTWGDBEIQN-JTQLQIEISA-N 1 3 241.335 -0.377 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638496371 352313640 /nfs/dbraw/zinc/31/36/40/352313640.db2.gz CQRVHTWGDBEIQN-SNVBAGLBSA-N 1 3 241.335 -0.377 20 0 BBADHO NC1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000638498884 352321001 /nfs/dbraw/zinc/32/10/01/352321001.db2.gz MJAKWTNXTHHDCZ-MRVPVSSYSA-N 1 3 209.293 -0.122 20 0 BBADHO NC1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000638498892 352321099 /nfs/dbraw/zinc/32/10/99/352321099.db2.gz MJAKWTNXTHHDCZ-QMMMGPOBSA-N 1 3 209.293 -0.122 20 0 BBADHO CN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507326 352328299 /nfs/dbraw/zinc/32/82/99/352328299.db2.gz HAXCUVFXIBYHEA-DTWKUNHWSA-N 1 3 211.309 -0.005 20 0 BBADHO CN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507327 352328659 /nfs/dbraw/zinc/32/86/59/352328659.db2.gz HAXCUVFXIBYHEA-IUCAKERBSA-N 1 3 211.309 -0.005 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@]1(COC)CCCCN1 ZINC000638513277 352336914 /nfs/dbraw/zinc/33/69/14/352336914.db2.gz PMHJULZCNDJKDM-GFCCVEGCSA-N 1 3 243.351 -0.048 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@@]1(COC)CCCCN1 ZINC000638513279 352336889 /nfs/dbraw/zinc/33/68/89/352336889.db2.gz PMHJULZCNDJKDM-LBPRGKRZSA-N 1 3 243.351 -0.048 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638513874 352339668 /nfs/dbraw/zinc/33/96/68/352339668.db2.gz OMBXMZVCLSAUGW-BBBLOLIVSA-N 1 3 239.319 -0.497 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638513875 352339759 /nfs/dbraw/zinc/33/97/59/352339759.db2.gz OMBXMZVCLSAUGW-UTLUCORTSA-N 1 3 239.319 -0.497 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@@H](N)CC(F)F ZINC000638516365 352347062 /nfs/dbraw/zinc/34/70/62/352347062.db2.gz AOXJCTHOYQDTIG-LURJTMIESA-N 1 3 209.240 -0.224 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@H](N)CC(F)F ZINC000638516367 352347049 /nfs/dbraw/zinc/34/70/49/352347049.db2.gz AOXJCTHOYQDTIG-ZCFIWIBFSA-N 1 3 209.240 -0.224 20 0 BBADHO CCN(CC[NH3+])C(=O)COC1(C)CNC1 ZINC000638516545 352345048 /nfs/dbraw/zinc/34/50/48/352345048.db2.gz DLOUARHKWLDGHR-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO CCN(CC[NH3+])C(=O)C[C@@H]1CSCCN1 ZINC000638517162 352345769 /nfs/dbraw/zinc/34/57/69/352345769.db2.gz NNYAWTALXSSMPX-SECBINFHSA-N 1 3 231.365 -0.111 20 0 BBADHO CCN(CC[NH3+])C(=O)C[C@H]1CSCCN1 ZINC000638517163 352345757 /nfs/dbraw/zinc/34/57/57/352345757.db2.gz NNYAWTALXSSMPX-VIFPVBQESA-N 1 3 231.365 -0.111 20 0 BBADHO CCN(CC[NH3+])C(=O)C(N)C(F)(F)F ZINC000638517406 352348475 /nfs/dbraw/zinc/34/84/75/352348475.db2.gz URQCPJQFBWHWQN-RXMQYKEDSA-N 1 3 213.203 -0.317 20 0 BBADHO CCN(CC[NH3+])C(=O)C(N)C(F)(F)F ZINC000638517407 352348099 /nfs/dbraw/zinc/34/80/99/352348099.db2.gz URQCPJQFBWHWQN-YFKPBYRVSA-N 1 3 213.203 -0.317 20 0 BBADHO CCN(CC[NH3+])C(=O)CCOC1CNC1 ZINC000638517609 352348237 /nfs/dbraw/zinc/34/82/37/352348237.db2.gz XFVXEIYQBONFCW-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO CCN(CC[NH3+])C(=O)CNCCOC ZINC000638522627 352355387 /nfs/dbraw/zinc/35/53/87/352355387.db2.gz LTUUJDZBKRIKDP-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO CCN(CC[NH3+])C(=O)C[C@@H]1CNCCO1 ZINC000638522965 352357419 /nfs/dbraw/zinc/35/74/19/352357419.db2.gz WVUGKHIYLPGWTJ-SECBINFHSA-N 1 3 215.297 -0.828 20 0 BBADHO CCN(CC[NH3+])C(=O)C[C@H]1CNCCO1 ZINC000638522966 352357180 /nfs/dbraw/zinc/35/71/80/352357180.db2.gz WVUGKHIYLPGWTJ-VIFPVBQESA-N 1 3 215.297 -0.828 20 0 BBADHO CCN(CC[NH3+])C(=O)CNC[C@@H]1CCCO1 ZINC000638522973 352357149 /nfs/dbraw/zinc/35/71/49/352357149.db2.gz XLQCISBQJWSJFB-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO CCN(CC[NH3+])C(=O)CNC[C@H]1CCCO1 ZINC000638522974 352357060 /nfs/dbraw/zinc/35/70/60/352357060.db2.gz XLQCISBQJWSJFB-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000638528261 352362878 /nfs/dbraw/zinc/36/28/78/352362878.db2.gz BVZZPYAMXFXIDQ-GHMZBOCLSA-N 1 3 242.367 -0.524 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000638528262 352362694 /nfs/dbraw/zinc/36/26/94/352362694.db2.gz BVZZPYAMXFXIDQ-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638528498 352362051 /nfs/dbraw/zinc/36/20/51/352362051.db2.gz JRBJXFKDAQSNED-DBIOUOCHSA-N 1 3 223.320 -0.053 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638529056 352361631 /nfs/dbraw/zinc/36/16/31/352361631.db2.gz XKJANUPWFOWMNK-ZNSHCXBVSA-N 1 3 223.320 -0.338 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638534409 385789496 /nfs/dbraw/zinc/78/94/96/385789496.db2.gz AOMVVNJGEQAJMY-UWVGGRQHSA-N 1 3 243.351 -0.016 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638534411 385790491 /nfs/dbraw/zinc/79/04/91/385790491.db2.gz AOMVVNJGEQAJMY-ZJUUUORDSA-N 1 3 243.351 -0.016 20 0 BBADHO CC(C)[C@@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638534462 352365776 /nfs/dbraw/zinc/36/57/76/352365776.db2.gz CQZKRUQGUJIDOM-SECBINFHSA-N 1 3 229.324 -0.406 20 0 BBADHO CC(C)[C@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638534463 352366138 /nfs/dbraw/zinc/36/61/38/352366138.db2.gz CQZKRUQGUJIDOM-VIFPVBQESA-N 1 3 229.324 -0.406 20 0 BBADHO NC1(C(=O)NCC2([NH3+])CCOCC2)CCCC1 ZINC000638534673 352365929 /nfs/dbraw/zinc/36/59/29/352365929.db2.gz GABLBMHKQVFSSF-UHFFFAOYSA-N 1 3 241.335 -0.118 20 0 BBADHO CC(C)C[C@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638535471 352367333 /nfs/dbraw/zinc/36/73/33/352367333.db2.gz NXFDTFWCGPOULK-JTQLQIEISA-N 1 3 243.351 -0.016 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638535910 352367019 /nfs/dbraw/zinc/36/70/19/352367019.db2.gz TTWBNJDHBQSHME-SECBINFHSA-N 1 3 243.351 -0.016 20 0 BBADHO [NH3+]C1(CNC(=O)[C@@H]2CCCCN2)CCOCC1 ZINC000638535989 352367249 /nfs/dbraw/zinc/36/72/49/352367249.db2.gz UPCXULIHFWJEIA-JTQLQIEISA-N 1 3 241.335 -0.247 20 0 BBADHO [NH3+]C1(CNC(=O)[C@H]2CCCCN2)CCOCC1 ZINC000638535990 352366873 /nfs/dbraw/zinc/36/68/73/352366873.db2.gz UPCXULIHFWJEIA-SNVBAGLBSA-N 1 3 241.335 -0.247 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638537306 398120332 /nfs/dbraw/zinc/12/03/32/398120332.db2.gz YOFVHGXHZUERNP-GMTAPVOTSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638537309 398120288 /nfs/dbraw/zinc/12/02/88/398120288.db2.gz YOFVHGXHZUERNP-MXWKQRLJSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638537310 398120558 /nfs/dbraw/zinc/12/05/58/398120558.db2.gz YOFVHGXHZUERNP-OUAUKWLOSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638537312 398120780 /nfs/dbraw/zinc/12/07/80/398120780.db2.gz YOFVHGXHZUERNP-VWYCJHECSA-N 1 3 241.335 -0.439 20 0 BBADHO CC(C)N(C)CC(=O)NCC1([NH3+])CCOCC1 ZINC000638539535 385816780 /nfs/dbraw/zinc/81/67/80/385816780.db2.gz BLVWJQRYUMPYOQ-UHFFFAOYSA-N 1 3 243.351 -0.049 20 0 BBADHO N[C@H](C(=O)NCC1([NH3+])CCOCC1)C1CCC1 ZINC000638539834 398124440 /nfs/dbraw/zinc/12/44/40/398124440.db2.gz JGHCASNIKDJCFX-JTQLQIEISA-N 1 3 241.335 -0.262 20 0 BBADHO N[C@@H](C(=O)NCC1([NH3+])CCOCC1)C1CCC1 ZINC000638539835 398124517 /nfs/dbraw/zinc/12/45/17/398124517.db2.gz JGHCASNIKDJCFX-SNVBAGLBSA-N 1 3 241.335 -0.262 20 0 BBADHO CCN(CC)CC(=O)NCC1([NH3+])CCOCC1 ZINC000638539898 385818091 /nfs/dbraw/zinc/81/80/91/385818091.db2.gz IUCIWSKEKLKQPB-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CCCN(C)CC(=O)NCC1([NH3+])CCOCC1 ZINC000638540627 352371124 /nfs/dbraw/zinc/37/11/24/352371124.db2.gz PUDRXWKIPJPNOB-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CC[C@@H](C(=O)NCC1([NH3+])CCOCC1)N(C)C ZINC000638540886 398123628 /nfs/dbraw/zinc/12/36/28/398123628.db2.gz MYTVFMXBXFQYRT-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO CC[C@H](C(=O)NCC1([NH3+])CCOCC1)N(C)C ZINC000638540887 385814871 /nfs/dbraw/zinc/81/48/71/385814871.db2.gz MYTVFMXBXFQYRT-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638541749 352372215 /nfs/dbraw/zinc/37/22/15/352372215.db2.gz WBWZGLKDRQEJRL-SECBINFHSA-N 1 3 241.335 -0.392 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638541750 352372090 /nfs/dbraw/zinc/37/20/90/352372090.db2.gz WBWZGLKDRQEJRL-VIFPVBQESA-N 1 3 241.335 -0.392 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNCCOC ZINC000638567500 352391945 /nfs/dbraw/zinc/39/19/45/352391945.db2.gz NGROWJDHHDVAPV-VHSXEESVSA-N 1 3 229.324 -0.521 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000638567991 352395738 /nfs/dbraw/zinc/39/57/38/352395738.db2.gz USHVILUEQIMUGR-GARJFASQSA-N 1 3 241.335 -0.378 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000638567992 352395597 /nfs/dbraw/zinc/39/55/97/352395597.db2.gz USHVILUEQIMUGR-OUAUKWLOSA-N 1 3 241.335 -0.378 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000638570348 385971319 /nfs/dbraw/zinc/97/13/19/385971319.db2.gz QYSXKEPUNBVKTH-HRDYMLBCSA-N 1 3 248.348 -0.324 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000638570360 385972807 /nfs/dbraw/zinc/97/28/07/385972807.db2.gz QYSXKEPUNBVKTH-XHNCKOQMSA-N 1 3 248.348 -0.324 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)COC1(C)CNC1 ZINC000638572030 352400423 /nfs/dbraw/zinc/40/04/23/352400423.db2.gz DYHHEQNVIWKWBL-VHSXEESVSA-N 1 3 241.335 -0.378 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCOC1CNC1 ZINC000638572646 352401179 /nfs/dbraw/zinc/40/11/79/352401179.db2.gz SFOWFUUXOCQUHW-WDEREUQCSA-N 1 3 241.335 -0.378 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC1CC1 ZINC000638572728 352401189 /nfs/dbraw/zinc/40/11/89/352401189.db2.gz WMDVAIUREIVWRP-VHSXEESVSA-N 1 3 211.309 -0.005 20 0 BBADHO CC[C@@H](C(=O)NCCOCC[NH2+]C)N(C)C ZINC000638574409 352404589 /nfs/dbraw/zinc/40/45/89/352404589.db2.gz DWNXGXBQOIPPMY-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO CC[C@H](C(=O)NCCOCC[NH2+]C)N(C)C ZINC000638574411 352404452 /nfs/dbraw/zinc/40/44/52/352404452.db2.gz DWNXGXBQOIPPMY-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638575672 352402896 /nfs/dbraw/zinc/40/28/96/352402896.db2.gz KSDAUPCXRRMYHR-AXTSPUMRSA-N 1 3 227.308 -0.641 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000638576756 352407510 /nfs/dbraw/zinc/40/75/10/352407510.db2.gz IAISULRXDWALOT-GHMZBOCLSA-N 1 3 243.351 -0.273 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000638576757 352407630 /nfs/dbraw/zinc/40/76/30/352407630.db2.gz IAISULRXDWALOT-MNOVXSKESA-N 1 3 243.351 -0.273 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000638576758 352407520 /nfs/dbraw/zinc/40/75/20/352407520.db2.gz IAISULRXDWALOT-QWRGUYRKSA-N 1 3 243.351 -0.273 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000638576759 352407576 /nfs/dbraw/zinc/40/75/76/352407576.db2.gz IAISULRXDWALOT-WDEREUQCSA-N 1 3 243.351 -0.273 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H](N)C1CCC1 ZINC000638577110 352408455 /nfs/dbraw/zinc/40/84/55/352408455.db2.gz MAKDKPFOJGQONU-JTQLQIEISA-N 1 3 229.324 -0.534 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@H](N)C1CCC1 ZINC000638577111 352408146 /nfs/dbraw/zinc/40/81/46/352408146.db2.gz MAKDKPFOJGQONU-SNVBAGLBSA-N 1 3 229.324 -0.534 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CCNCC1 ZINC000638577427 352405831 /nfs/dbraw/zinc/40/58/31/352405831.db2.gz ZKEMXIGHPKUQJD-WDEREUQCSA-N 1 3 240.351 -0.852 20 0 BBADHO CCCN(C)CC(=O)NCCOCC[NH2+]C ZINC000638578271 352407705 /nfs/dbraw/zinc/40/77/05/352407705.db2.gz MRZWKAWWCCQRER-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO CCN(CC)CC(=O)NCCOCC[NH2+]C ZINC000638578547 352408296 /nfs/dbraw/zinc/40/82/96/352408296.db2.gz NSVBKZPDGRUXND-UHFFFAOYSA-N 1 3 231.340 -0.320 20 0 BBADHO C[NH2+]CCOCCNC(=O)CN(C)C(C)C ZINC000638578594 352409027 /nfs/dbraw/zinc/40/90/27/352409027.db2.gz PMIVBVNZPRVUSL-UHFFFAOYSA-N 1 3 231.340 -0.321 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@H]1NCC1(C)C ZINC000638578724 352408110 /nfs/dbraw/zinc/40/81/10/352408110.db2.gz HZZLGEKPHMROKV-SECBINFHSA-N 1 3 229.324 -0.663 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H]1NCC1(C)C ZINC000638578726 352408279 /nfs/dbraw/zinc/40/82/79/352408279.db2.gz HZZLGEKPHMROKV-VIFPVBQESA-N 1 3 229.324 -0.663 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000638578845 352408775 /nfs/dbraw/zinc/40/87/75/352408775.db2.gz RVRBOIVDBXVBMX-LLVKDONJSA-N 1 3 245.367 -0.075 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@H](C(C)C)N(C)C ZINC000638578846 352408935 /nfs/dbraw/zinc/40/89/35/352408935.db2.gz RVRBOIVDBXVBMX-NSHDSACASA-N 1 3 245.367 -0.075 20 0 BBADHO CC[C@@H](N)C(=O)NCCOCC[NH2+]C ZINC000638579264 352409677 /nfs/dbraw/zinc/40/96/77/352409677.db2.gz NZGKITYJDOWYBH-MRVPVSSYSA-N 1 3 203.286 -0.924 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)NCCOCC[NH2+]C ZINC000638579309 352409820 /nfs/dbraw/zinc/40/98/20/352409820.db2.gz OQYDDERWNNOXQG-UWVGGRQHSA-N 1 3 231.340 -0.288 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)NCCOCC[NH2+]C ZINC000638579312 352409728 /nfs/dbraw/zinc/40/97/28/352409728.db2.gz OQYDDERWNNOXQG-ZJUUUORDSA-N 1 3 231.340 -0.288 20 0 BBADHO C[NH2+]CCOCCNC(=O)CNC1CC1 ZINC000638579364 352409945 /nfs/dbraw/zinc/40/99/45/352409945.db2.gz PISYXSCWSSMWTH-UHFFFAOYSA-N 1 3 215.297 -0.909 20 0 BBADHO C[NH2+]CCOCCNC(=O)C(N)C(F)(F)F ZINC000638579553 352409754 /nfs/dbraw/zinc/40/97/54/352409754.db2.gz RXJRJCIQXGXKKV-LURJTMIESA-N 1 3 243.229 -0.772 20 0 BBADHO C[NH2+]CCOCCNC(=O)C(N)C(F)(F)F ZINC000638579556 352409858 /nfs/dbraw/zinc/40/98/58/352409858.db2.gz RXJRJCIQXGXKKV-ZCFIWIBFSA-N 1 3 243.229 -0.772 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@H](N)C(C)C ZINC000638579593 352409742 /nfs/dbraw/zinc/40/97/42/352409742.db2.gz STUGUODQYLHJHZ-SECBINFHSA-N 1 3 217.313 -0.678 20 0 BBADHO C[NH2+]CCOCCNC(=O)C1(N)CCC1 ZINC000638579655 352410730 /nfs/dbraw/zinc/41/07/30/352410730.db2.gz UIQZAIKJEGIMPM-UHFFFAOYSA-N 1 3 215.297 -0.780 20 0 BBADHO CCC[C@@](C)(N)C(=O)NCCOCC[NH2+]C ZINC000638583218 352414419 /nfs/dbraw/zinc/41/44/19/352414419.db2.gz BXTAJPUJCBUARQ-LLVKDONJSA-N 1 3 231.340 -0.144 20 0 BBADHO CCC[C@](C)(N)C(=O)NCCOCC[NH2+]C ZINC000638583220 352414239 /nfs/dbraw/zinc/41/42/39/352414239.db2.gz BXTAJPUJCBUARQ-NSHDSACASA-N 1 3 231.340 -0.144 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H]1CCCCN1 ZINC000638583485 352414584 /nfs/dbraw/zinc/41/45/84/352414584.db2.gz DSBOHEKMGGGPOL-JTQLQIEISA-N 1 3 229.324 -0.519 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@H]1CCCCN1 ZINC000638583487 352414124 /nfs/dbraw/zinc/41/41/24/352414124.db2.gz DSBOHEKMGGGPOL-SNVBAGLBSA-N 1 3 229.324 -0.519 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H](N)C(C)(C)C ZINC000638584043 352415173 /nfs/dbraw/zinc/41/51/73/352415173.db2.gz MLABIVWTCNKKMS-SECBINFHSA-N 1 3 231.340 -0.288 20 0 BBADHO C[NH2+]CCOCCNC(=O)C1(N)CCCC1 ZINC000638584060 352415222 /nfs/dbraw/zinc/41/52/22/352415222.db2.gz MQVPHRZOUUQODJ-UHFFFAOYSA-N 1 3 229.324 -0.390 20 0 BBADHO CC[C@H](N)C(=O)NCCOCC[NH2+]C ZINC000638584144 352415088 /nfs/dbraw/zinc/41/50/88/352415088.db2.gz NZGKITYJDOWYBH-QMMMGPOBSA-N 1 3 203.286 -0.924 20 0 BBADHO C[NH2+]CCOCCNC(=O)C(C)(C)N ZINC000638584864 398135430 /nfs/dbraw/zinc/13/54/30/398135430.db2.gz PCWULWMTWWIHEM-UHFFFAOYSA-N 1 3 203.286 -0.924 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H](N)CC(C)C ZINC000638585084 352417080 /nfs/dbraw/zinc/41/70/80/352417080.db2.gz SHMFJPXZIWXQSF-JTQLQIEISA-N 1 3 231.340 -0.288 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H](N)C(C)C ZINC000638585112 352417225 /nfs/dbraw/zinc/41/72/25/352417225.db2.gz STUGUODQYLHJHZ-VIFPVBQESA-N 1 3 217.313 -0.678 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)C1(N)CC1 ZINC000638586248 411478635 /nfs/dbraw/zinc/47/86/35/411478635.db2.gz MOTRXRSDFGKFMD-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)C(C)(C)N ZINC000638586259 411478718 /nfs/dbraw/zinc/47/87/18/411478718.db2.gz NETVTVSPNIGGGV-UHFFFAOYSA-N 1 3 217.313 -0.582 20 0 BBADHO CC[C@H](N)C(=O)N(C)CCOCC[NH2+]C ZINC000638586463 352417153 /nfs/dbraw/zinc/41/71/53/352417153.db2.gz QWWGGCMWNVTVCH-VIFPVBQESA-N 1 3 217.313 -0.582 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](N)C(C)C ZINC000638586581 352415825 /nfs/dbraw/zinc/41/58/25/352415825.db2.gz UKVWUNLZWKTUSC-JTQLQIEISA-N 1 3 231.340 -0.336 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@H](N)C(C)C ZINC000638586582 352415831 /nfs/dbraw/zinc/41/58/31/352415831.db2.gz UKVWUNLZWKTUSC-SNVBAGLBSA-N 1 3 231.340 -0.336 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCCN1 ZINC000638586802 352418555 /nfs/dbraw/zinc/41/85/55/352418555.db2.gz YXPFXNXSFBOMTD-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCCN1 ZINC000638586803 352418583 /nfs/dbraw/zinc/41/85/83/352418583.db2.gz YXPFXNXSFBOMTD-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](C)N ZINC000638586806 352418631 /nfs/dbraw/zinc/41/86/31/352418631.db2.gz YZONLWROONZESZ-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@H](C)N ZINC000638586808 352418547 /nfs/dbraw/zinc/41/85/47/352418547.db2.gz YZONLWROONZESZ-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)C1(N)CCCC1 ZINC000638586851 352418561 /nfs/dbraw/zinc/41/85/61/352418561.db2.gz ZWHOASUZUCOZQE-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)CNC1CC1 ZINC000638591272 352422529 /nfs/dbraw/zinc/42/25/29/352422529.db2.gz GIUZECJPDYVSAC-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)C1(N)CCC1 ZINC000638591681 352421407 /nfs/dbraw/zinc/42/14/07/352421407.db2.gz LQSYDKJLAKMYNG-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO CC[C@@H](N)C(=O)N(C)CCOCC[NH2+]C ZINC000638592818 352422887 /nfs/dbraw/zinc/42/28/87/352422887.db2.gz QWWGGCMWNVTVCH-SECBINFHSA-N 1 3 217.313 -0.582 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@H](N)C1CCC1 ZINC000638593143 352423004 /nfs/dbraw/zinc/42/30/04/352423004.db2.gz JDCJNXNJIUZZDF-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](N)C1CCC1 ZINC000638593144 352422854 /nfs/dbraw/zinc/42/28/54/352422854.db2.gz JDCJNXNJIUZZDF-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO CN[C@@H](C)C(=O)N(C)CCOCC[NH2+]C ZINC000638593458 352423909 /nfs/dbraw/zinc/42/39/09/352423909.db2.gz QQMKEORFXGFESS-VIFPVBQESA-N 1 3 217.313 -0.711 20 0 BBADHO CC[C@@H](C(=O)NC1(C[NH3+])CCOCC1)N(C)C ZINC000638631084 352473659 /nfs/dbraw/zinc/47/36/59/352473659.db2.gz GIYSAPJIPXMKRH-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO CC[C@H](C(=O)NC1(C[NH3+])CCOCC1)N(C)C ZINC000638631087 352473811 /nfs/dbraw/zinc/47/38/11/352473811.db2.gz GIYSAPJIPXMKRH-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO CCCN(C)CC(=O)NC1(C[NH3+])CCOCC1 ZINC000638633986 386248172 /nfs/dbraw/zinc/24/81/72/386248172.db2.gz KNSGYQWUMXTHIQ-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CC(C)N(C)CC(=O)NC1(C[NH3+])CCOCC1 ZINC000638634318 352477430 /nfs/dbraw/zinc/47/74/30/352477430.db2.gz OBDLYPDYKMLQHJ-UHFFFAOYSA-N 1 3 243.351 -0.049 20 0 BBADHO CCN(CC)CC(=O)NC1(C[NH3+])CCOCC1 ZINC000638634642 352476101 /nfs/dbraw/zinc/47/61/01/352476101.db2.gz SLPJHOGBDPURPB-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO C[C@H]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)C[NH2+]1 ZINC000638638425 352479944 /nfs/dbraw/zinc/47/99/44/352479944.db2.gz CZLSHHKGQPQGEV-AATLWQCWSA-N 1 3 227.308 -0.641 20 0 BBADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2N)C[NH2+]1 ZINC000638638427 352480046 /nfs/dbraw/zinc/48/00/46/352480046.db2.gz CZLSHHKGQPQGEV-DOLQZWNJSA-N 1 3 227.308 -0.641 20 0 BBADHO C[C@H]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2N)C[NH2+]1 ZINC000638638429 352480185 /nfs/dbraw/zinc/48/01/85/352480185.db2.gz CZLSHHKGQPQGEV-QCLAVDOMSA-N 1 3 227.308 -0.641 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)C[NH2+]1 ZINC000638638430 352479971 /nfs/dbraw/zinc/47/99/71/352479971.db2.gz CZLSHHKGQPQGEV-XFWSIPNHSA-N 1 3 227.308 -0.641 20 0 BBADHO C[C@@H]1CC[C@@H](NC(=O)CN2CCNCC2)C[NH2+]1 ZINC000638638554 352480852 /nfs/dbraw/zinc/48/08/52/352480852.db2.gz DQGVMACSIKBNPG-GHMZBOCLSA-N 1 3 240.351 -0.852 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)CN2CCNCC2)C[NH2+]1 ZINC000638638555 352480846 /nfs/dbraw/zinc/48/08/46/352480846.db2.gz DQGVMACSIKBNPG-MNOVXSKESA-N 1 3 240.351 -0.852 20 0 BBADHO C[C@H]1CC[C@H](NC(=O)CN2CCNCC2)C[NH2+]1 ZINC000638638556 352480874 /nfs/dbraw/zinc/48/08/74/352480874.db2.gz DQGVMACSIKBNPG-QWRGUYRKSA-N 1 3 240.351 -0.852 20 0 BBADHO C[C@H]1CC[C@@H](NC(=O)CN2CCNCC2)C[NH2+]1 ZINC000638638557 352480981 /nfs/dbraw/zinc/48/09/81/352480981.db2.gz DQGVMACSIKBNPG-WDEREUQCSA-N 1 3 240.351 -0.852 20 0 BBADHO C[C@@H]1CC[C@@H](NC(=O)CNC2CC2)C[NH2+]1 ZINC000638643605 352486327 /nfs/dbraw/zinc/48/63/27/352486327.db2.gz MJGHGZRSQJUPKO-PSASIEDQSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)CNC2CC2)C[NH2+]1 ZINC000638643606 352485934 /nfs/dbraw/zinc/48/59/34/352485934.db2.gz MJGHGZRSQJUPKO-SCZZXKLOSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H]1CC[C@@H](NC(=O)CNC2CC2)C[NH2+]1 ZINC000638643607 352486371 /nfs/dbraw/zinc/48/63/71/352486371.db2.gz MJGHGZRSQJUPKO-WCBMZHEXSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H]1CC[C@H](NC(=O)CNC2CC2)C[NH2+]1 ZINC000638643608 352486195 /nfs/dbraw/zinc/48/61/95/352486195.db2.gz MJGHGZRSQJUPKO-WPRPVWTQSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@@H]1CC[C@@H](NC(=O)CCOC2CNC2)C[NH2+]1 ZINC000638646136 352489941 /nfs/dbraw/zinc/48/99/41/352489941.db2.gz YKLUJYSRVLOMNR-NXEZZACHSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1CC[C@H](NC(=O)CCOC2CNC2)C[NH2+]1 ZINC000638646137 352489570 /nfs/dbraw/zinc/48/95/70/352489570.db2.gz YKLUJYSRVLOMNR-UWVGGRQHSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1CC[C@@H](NC(=O)CCOC2CNC2)C[NH2+]1 ZINC000638646138 352489685 /nfs/dbraw/zinc/48/96/85/352489685.db2.gz YKLUJYSRVLOMNR-VHSXEESVSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)CCOC2CNC2)C[NH2+]1 ZINC000638646139 352489535 /nfs/dbraw/zinc/48/95/35/352489535.db2.gz YKLUJYSRVLOMNR-ZJUUUORDSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1CC[C@@H](NC(=O)COC2(C)CNC2)C[NH2+]1 ZINC000638646256 352489251 /nfs/dbraw/zinc/48/92/51/352489251.db2.gz YOUAQLRMOZIURK-NXEZZACHSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1CC[C@H](NC(=O)COC2(C)CNC2)C[NH2+]1 ZINC000638646257 352489203 /nfs/dbraw/zinc/48/92/03/352489203.db2.gz YOUAQLRMOZIURK-UWVGGRQHSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1CC[C@@H](NC(=O)COC2(C)CNC2)C[NH2+]1 ZINC000638646258 352488896 /nfs/dbraw/zinc/48/88/96/352488896.db2.gz YOUAQLRMOZIURK-VHSXEESVSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)COC2(C)CNC2)C[NH2+]1 ZINC000638646260 352489025 /nfs/dbraw/zinc/48/90/25/352489025.db2.gz YOUAQLRMOZIURK-ZJUUUORDSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CNCCO2)C[NH2+]1 ZINC000638652797 352494178 /nfs/dbraw/zinc/49/41/78/352494178.db2.gz AAZUGNKCLDTPED-GMTAPVOTSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1CC[C@@H](NC(=O)C[C@H]2CNCCO2)C[NH2+]1 ZINC000638652798 352494020 /nfs/dbraw/zinc/49/40/20/352494020.db2.gz AAZUGNKCLDTPED-MXWKQRLJSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CNCCO2)C[NH2+]1 ZINC000638652799 352493938 /nfs/dbraw/zinc/49/39/38/352493938.db2.gz AAZUGNKCLDTPED-OUAUKWLOSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)C[C@H]2CNCCO2)C[NH2+]1 ZINC000638652800 352493901 /nfs/dbraw/zinc/49/39/01/352493901.db2.gz AAZUGNKCLDTPED-VWYCJHECSA-N 1 3 241.335 -0.378 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653168 352494638 /nfs/dbraw/zinc/49/46/38/352494638.db2.gz DHGPXUOQERBGQN-NXEZZACHSA-N 1 3 229.324 -0.521 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638653169 352494767 /nfs/dbraw/zinc/49/47/67/352494767.db2.gz DHGPXUOQERBGQN-UWVGGRQHSA-N 1 3 229.324 -0.521 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638653170 352494448 /nfs/dbraw/zinc/49/44/48/352494448.db2.gz DHGPXUOQERBGQN-VHSXEESVSA-N 1 3 229.324 -0.521 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653171 352494871 /nfs/dbraw/zinc/49/48/71/352494871.db2.gz DHGPXUOQERBGQN-ZJUUUORDSA-N 1 3 229.324 -0.521 20 0 BBADHO CC(C)(N)C(=O)NCCOCCC[NH3+] ZINC000638656550 352497291 /nfs/dbraw/zinc/49/72/91/352497291.db2.gz INNGMJBNFWTFNX-UHFFFAOYSA-N 1 3 203.286 -0.795 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)NCCOCCC[NH3+] ZINC000638656873 352497580 /nfs/dbraw/zinc/49/75/80/352497580.db2.gz KQXXXKYVFIIKPL-SECBINFHSA-N 1 3 231.340 -0.159 20 0 BBADHO [NH3+]CCCOCCNC(=O)[C@@H]1CCCCN1 ZINC000638657425 352497862 /nfs/dbraw/zinc/49/78/62/352497862.db2.gz OQXVRRIMFVBTGF-JTQLQIEISA-N 1 3 229.324 -0.390 20 0 BBADHO [NH3+]CCCOCCNC(=O)[C@H]1CCCCN1 ZINC000638657426 352497879 /nfs/dbraw/zinc/49/78/79/352497879.db2.gz OQXVRRIMFVBTGF-SNVBAGLBSA-N 1 3 229.324 -0.390 20 0 BBADHO CC(C)C[C@H](N)C(=O)NCCOCCC[NH3+] ZINC000638657979 352499120 /nfs/dbraw/zinc/49/91/20/352499120.db2.gz REABQBHTCJPMJR-JTQLQIEISA-N 1 3 231.340 -0.159 20 0 BBADHO NC1(C(=O)NCCOCCC[NH3+])CCCC1 ZINC000638657990 352499199 /nfs/dbraw/zinc/49/91/99/352499199.db2.gz RMPVXHODPXJCJW-UHFFFAOYSA-N 1 3 229.324 -0.261 20 0 BBADHO CC[C@H](N)C(=O)NCCOCCC[NH3+] ZINC000638658162 352499439 /nfs/dbraw/zinc/49/94/39/352499439.db2.gz TYEWFLAIPWJJAH-QMMMGPOBSA-N 1 3 203.286 -0.795 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)NCCOCCC[NH3+] ZINC000638658222 352499322 /nfs/dbraw/zinc/49/93/22/352499322.db2.gz UWURQPJSJZBTAN-UWVGGRQHSA-N 1 3 231.340 -0.159 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)NCCOCCC[NH3+] ZINC000638658226 352499074 /nfs/dbraw/zinc/49/90/74/352499074.db2.gz UWURQPJSJZBTAN-ZJUUUORDSA-N 1 3 231.340 -0.159 20 0 BBADHO CCC[C@@](C)(N)C(=O)NCCOCCC[NH3+] ZINC000638658631 352499888 /nfs/dbraw/zinc/49/98/88/352499888.db2.gz ZEWCFTCELVMSFB-LLVKDONJSA-N 1 3 231.340 -0.015 20 0 BBADHO CCC[C@](C)(N)C(=O)NCCOCCC[NH3+] ZINC000638658636 352500352 /nfs/dbraw/zinc/50/03/52/352500352.db2.gz ZEWCFTCELVMSFB-NSHDSACASA-N 1 3 231.340 -0.015 20 0 BBADHO CC(C)[C@@H](N)C(=O)NCCOCCC[NH3+] ZINC000638658684 352500117 /nfs/dbraw/zinc/50/01/17/352500117.db2.gz ZUBIZMXTOLEERL-SECBINFHSA-N 1 3 217.313 -0.549 20 0 BBADHO CC(C)[C@H](N)C(=O)NCCOCCC[NH3+] ZINC000638658685 352499975 /nfs/dbraw/zinc/49/99/75/352499975.db2.gz ZUBIZMXTOLEERL-VIFPVBQESA-N 1 3 217.313 -0.549 20 0 BBADHO CCCN(C)CC(=O)NCCOCCC[NH3+] ZINC000638660237 352501385 /nfs/dbraw/zinc/50/13/85/352501385.db2.gz BBVAADBWIVZUFR-UHFFFAOYSA-N 1 3 231.340 -0.190 20 0 BBADHO [NH3+]CCCOCCNC(=O)CNC1CC1 ZINC000638661032 386339322 /nfs/dbraw/zinc/33/93/22/386339322.db2.gz JPFXXZSXYKMYMZ-UHFFFAOYSA-N 1 3 215.297 -0.780 20 0 BBADHO CN1CCC(C(=O)NCCOCCC[NH3+])CC1 ZINC000638661366 352504412 /nfs/dbraw/zinc/50/44/12/352504412.db2.gz NULROPYOFYEHES-UHFFFAOYSA-N 1 3 243.351 -0.190 20 0 BBADHO CCN(CC)CC(=O)NCCOCCC[NH3+] ZINC000638661593 352504494 /nfs/dbraw/zinc/50/44/94/352504494.db2.gz VIMFJUPAUSMHCB-UHFFFAOYSA-N 1 3 231.340 -0.190 20 0 BBADHO N[C@H](C(=O)NCCOCCC[NH3+])C1CCC1 ZINC000638661626 352504739 /nfs/dbraw/zinc/50/47/39/352504739.db2.gz BOZWEJNGVXKKMP-JTQLQIEISA-N 1 3 229.324 -0.405 20 0 BBADHO N[C@@H](C(=O)NCCOCCC[NH3+])C1CCC1 ZINC000638661627 352504647 /nfs/dbraw/zinc/50/46/47/352504647.db2.gz BOZWEJNGVXKKMP-SNVBAGLBSA-N 1 3 229.324 -0.405 20 0 BBADHO CC(C)N(C)CC(=O)NCCOCCC[NH3+] ZINC000638661678 352504797 /nfs/dbraw/zinc/50/47/97/352504797.db2.gz WJEXDFDHIZECQP-UHFFFAOYSA-N 1 3 231.340 -0.192 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000638661900 352505320 /nfs/dbraw/zinc/50/53/20/352505320.db2.gz ASQKCBGRUVTUIT-SECBINFHSA-N 1 3 229.324 -0.534 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NCCOCCC[NH3+] ZINC000638661901 352505524 /nfs/dbraw/zinc/50/55/24/352505524.db2.gz ASQKCBGRUVTUIT-VIFPVBQESA-N 1 3 229.324 -0.534 20 0 BBADHO C[C@@H]1CCN[C@@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638662024 352505603 /nfs/dbraw/zinc/50/56/03/352505603.db2.gz JBFZTKNSYCBKEI-GHMZBOCLSA-N 1 3 243.351 -0.144 20 0 BBADHO C[C@@H]1CCN[C@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638662025 352505595 /nfs/dbraw/zinc/50/55/95/352505595.db2.gz JBFZTKNSYCBKEI-MNOVXSKESA-N 1 3 243.351 -0.144 20 0 BBADHO C[C@H]1CCN[C@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638662026 352505424 /nfs/dbraw/zinc/50/54/24/352505424.db2.gz JBFZTKNSYCBKEI-QWRGUYRKSA-N 1 3 243.351 -0.144 20 0 BBADHO C[C@H]1CCN[C@@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638662027 352505463 /nfs/dbraw/zinc/50/54/63/352505463.db2.gz JBFZTKNSYCBKEI-WDEREUQCSA-N 1 3 243.351 -0.144 20 0 BBADHO CN[C@@H](C)C(=O)NCCOCCC[NH3+] ZINC000638663179 352506998 /nfs/dbraw/zinc/50/69/98/352506998.db2.gz IQGMOSNQOCADRN-QMMMGPOBSA-N 1 3 203.286 -0.924 20 0 BBADHO CC[C@@H](C(=O)NCCOCCC[NH3+])N(C)C ZINC000638663208 352507035 /nfs/dbraw/zinc/50/70/35/352507035.db2.gz JKHHYHBQBXOZDY-JTQLQIEISA-N 1 3 231.340 -0.192 20 0 BBADHO CC[C@H](C(=O)NCCOCCC[NH3+])N(C)C ZINC000638663209 352506917 /nfs/dbraw/zinc/50/69/17/352506917.db2.gz JKHHYHBQBXOZDY-SNVBAGLBSA-N 1 3 231.340 -0.192 20 0 BBADHO NC(C(=O)NCCOCCC[NH3+])C(F)(F)F ZINC000638663319 352506788 /nfs/dbraw/zinc/50/67/88/352506788.db2.gz LTAUXCCHJNAQLH-LURJTMIESA-N 1 3 243.229 -0.642 20 0 BBADHO NC(C(=O)NCCOCCC[NH3+])C(F)(F)F ZINC000638663320 352507046 /nfs/dbraw/zinc/50/70/46/352507046.db2.gz LTAUXCCHJNAQLH-ZCFIWIBFSA-N 1 3 243.229 -0.642 20 0 BBADHO CC(C)NCC(=O)NCCOCCC[NH3+] ZINC000638663514 352507519 /nfs/dbraw/zinc/50/75/19/352507519.db2.gz MYHNESRHOWTVAC-UHFFFAOYSA-N 1 3 217.313 -0.534 20 0 BBADHO CC[C@@H](N)C(=O)NCCOCCC[NH3+] ZINC000638663885 352507498 /nfs/dbraw/zinc/50/74/98/352507498.db2.gz TYEWFLAIPWJJAH-MRVPVSSYSA-N 1 3 203.286 -0.795 20 0 BBADHO CCN[C@H](C)C(=O)NCCOCCC[NH3+] ZINC000638664208 352506049 /nfs/dbraw/zinc/50/60/49/352506049.db2.gz SNHKLXOKPOWRPR-SECBINFHSA-N 1 3 217.313 -0.534 20 0 BBADHO CCN[C@@H](C)C(=O)NCCOCCC[NH3+] ZINC000638664209 352506408 /nfs/dbraw/zinc/50/64/08/352506408.db2.gz SNHKLXOKPOWRPR-VIFPVBQESA-N 1 3 217.313 -0.534 20 0 BBADHO NC1(C(=O)NCCOCCC[NH3+])CCC1 ZINC000638664344 352508646 /nfs/dbraw/zinc/50/86/46/352508646.db2.gz ZCKBUIWBGZCHIH-UHFFFAOYSA-N 1 3 215.297 -0.651 20 0 BBADHO CC[C@@H](C(=O)N(C)CCOCC[NH3+])N(C)C ZINC000638669994 352510905 /nfs/dbraw/zinc/51/09/05/352510905.db2.gz JMNWIBLFEYHKCQ-JTQLQIEISA-N 1 3 231.340 -0.240 20 0 BBADHO CC[C@H](C(=O)N(C)CCOCC[NH3+])N(C)C ZINC000638669996 352510950 /nfs/dbraw/zinc/51/09/50/352510950.db2.gz JMNWIBLFEYHKCQ-SNVBAGLBSA-N 1 3 231.340 -0.240 20 0 BBADHO CN[C@@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638671269 352513184 /nfs/dbraw/zinc/51/31/84/352513184.db2.gz WTYKLSUFMGKGAT-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO CN(CCOCC[NH3+])C(=O)[C@@H](N)C1CCC1 ZINC000638672454 352513736 /nfs/dbraw/zinc/51/37/36/352513736.db2.gz GLKLLPUOEFSIHF-JTQLQIEISA-N 1 3 229.324 -0.453 20 0 BBADHO CN(CCOCC[NH3+])C(=O)[C@H](N)C1CCC1 ZINC000638672455 352513456 /nfs/dbraw/zinc/51/34/56/352513456.db2.gz GLKLLPUOEFSIHF-SNVBAGLBSA-N 1 3 229.324 -0.453 20 0 BBADHO C[C@@H]1CCN[C@@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638673586 352514684 /nfs/dbraw/zinc/51/46/84/352514684.db2.gz WKGQXRPKBQUDGN-GHMZBOCLSA-N 1 3 243.351 -0.192 20 0 BBADHO C[C@@H]1CCN[C@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638673587 352514973 /nfs/dbraw/zinc/51/49/73/352514973.db2.gz WKGQXRPKBQUDGN-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO C[C@H]1CCN[C@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638673588 352514764 /nfs/dbraw/zinc/51/47/64/352514764.db2.gz WKGQXRPKBQUDGN-QWRGUYRKSA-N 1 3 243.351 -0.192 20 0 BBADHO C[C@H]1CCN[C@@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638673692 352514631 /nfs/dbraw/zinc/51/46/31/352514631.db2.gz WKGQXRPKBQUDGN-WDEREUQCSA-N 1 3 243.351 -0.192 20 0 BBADHO CN(CCOCC[NH3+])C(=O)C1(N)CCC1 ZINC000638674170 352515662 /nfs/dbraw/zinc/51/56/62/352515662.db2.gz GCWVITRZMOVQQG-UHFFFAOYSA-N 1 3 215.297 -0.699 20 0 BBADHO CN(CCOCC[NH3+])C(=O)C(N)C(F)(F)F ZINC000638674286 352515610 /nfs/dbraw/zinc/51/56/10/352515610.db2.gz IAVPWPJFSRWLQS-LURJTMIESA-N 1 3 243.229 -0.690 20 0 BBADHO CN(CCOCC[NH3+])C(=O)C(N)C(F)(F)F ZINC000638674289 352515504 /nfs/dbraw/zinc/51/55/04/352515504.db2.gz IAVPWPJFSRWLQS-ZCFIWIBFSA-N 1 3 243.229 -0.690 20 0 BBADHO CC[C@@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638674326 352515590 /nfs/dbraw/zinc/51/55/90/352515590.db2.gz IIELUZRRISZVQH-MRVPVSSYSA-N 1 3 203.286 -0.843 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638674468 352514246 /nfs/dbraw/zinc/51/42/46/352514246.db2.gz KTRLNVOFULPHCL-UWVGGRQHSA-N 1 3 231.340 -0.207 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638674472 352514253 /nfs/dbraw/zinc/51/42/53/352514253.db2.gz KTRLNVOFULPHCL-ZJUUUORDSA-N 1 3 231.340 -0.207 20 0 BBADHO CC(C)[C@@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638674958 352514730 /nfs/dbraw/zinc/51/47/30/352514730.db2.gz OAZWMKATPFBCTI-SECBINFHSA-N 1 3 217.313 -0.597 20 0 BBADHO CCN(CC)CC(=O)N(C)CCOCC[NH3+] ZINC000638675262 352514922 /nfs/dbraw/zinc/51/49/22/352514922.db2.gz RVISBASKSXHQIY-UHFFFAOYSA-N 1 3 231.340 -0.238 20 0 BBADHO CCCN(C)CC(=O)N(C)CCOCC[NH3+] ZINC000638675269 352514778 /nfs/dbraw/zinc/51/47/78/352514778.db2.gz SALCBMDDXMZTOH-UHFFFAOYSA-N 1 3 231.340 -0.238 20 0 BBADHO CC(C)N(C)CC(=O)N(C)CCOCC[NH3+] ZINC000638675441 352516975 /nfs/dbraw/zinc/51/69/75/352516975.db2.gz GENZSNCHNFCZDY-UHFFFAOYSA-N 1 3 231.340 -0.240 20 0 BBADHO CN(CCOCC[NH3+])C(=O)C1CCN(C)CC1 ZINC000638675525 352516688 /nfs/dbraw/zinc/51/66/88/352516688.db2.gz IMPVBMQMKGTQQK-UHFFFAOYSA-N 1 3 243.351 -0.238 20 0 BBADHO CN(CCOCC[NH3+])C(=O)CNC1CC1 ZINC000638675703 352515550 /nfs/dbraw/zinc/51/55/50/352515550.db2.gz XWSLOCORVMDWQP-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO CC(C)C[C@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638679791 352518376 /nfs/dbraw/zinc/51/83/76/352518376.db2.gz DZSLHWTXLZPXEL-JTQLQIEISA-N 1 3 231.340 -0.207 20 0 BBADHO CC[C@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638679961 352518118 /nfs/dbraw/zinc/51/81/18/352518118.db2.gz IIELUZRRISZVQH-QMMMGPOBSA-N 1 3 203.286 -0.843 20 0 BBADHO CN(CCOCC[NH3+])C(=O)[C@@H]1CCCCN1 ZINC000638680218 352518930 /nfs/dbraw/zinc/51/89/30/352518930.db2.gz NVALTOSXOVLVHK-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO CN(CCOCC[NH3+])C(=O)[C@H]1CCCCN1 ZINC000638680220 352519069 /nfs/dbraw/zinc/51/90/69/352519069.db2.gz NVALTOSXOVLVHK-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO CC(C)[C@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638680232 352519116 /nfs/dbraw/zinc/51/91/16/352519116.db2.gz OAZWMKATPFBCTI-VIFPVBQESA-N 1 3 217.313 -0.597 20 0 BBADHO CN(CCOCC[NH3+])C(=O)C1(N)CCCC1 ZINC000638680304 352518952 /nfs/dbraw/zinc/51/89/52/352518952.db2.gz PCHKTFNBJQQXMS-UHFFFAOYSA-N 1 3 229.324 -0.308 20 0 BBADHO CN(CCOCC[NH3+])C(=O)C(C)(C)N ZINC000638680421 352518818 /nfs/dbraw/zinc/51/88/18/352518818.db2.gz QBKTZLCFHJOFPO-UHFFFAOYSA-N 1 3 203.286 -0.843 20 0 BBADHO CN(CCOCC[NH3+])C(=O)[C@@H](N)C(C)(C)C ZINC000638680660 352519626 /nfs/dbraw/zinc/51/96/26/352519626.db2.gz WXXKASHPHNWZSK-SECBINFHSA-N 1 3 231.340 -0.207 20 0 BBADHO CCC[C@@](C)(N)C(=O)N(C)CCOCC[NH3+] ZINC000638680672 352519809 /nfs/dbraw/zinc/51/98/09/352519809.db2.gz XYTFHVIIHDYRIJ-LLVKDONJSA-N 1 3 231.340 -0.062 20 0 BBADHO CCC[C@](C)(N)C(=O)N(C)CCOCC[NH3+] ZINC000638680673 352519767 /nfs/dbraw/zinc/51/97/67/352519767.db2.gz XYTFHVIIHDYRIJ-NSHDSACASA-N 1 3 231.340 -0.062 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000638726798 352585175 /nfs/dbraw/zinc/58/51/75/352585175.db2.gz BVZZPYAMXFXIDQ-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000638726800 352585534 /nfs/dbraw/zinc/58/55/34/352585534.db2.gz BVZZPYAMXFXIDQ-WDEREUQCSA-N 1 3 242.367 -0.524 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638727740 352586180 /nfs/dbraw/zinc/58/61/80/352586180.db2.gz KQOSMZUYIJFODD-GUBZILKMSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638729140 352589559 /nfs/dbraw/zinc/58/95/59/352589559.db2.gz YOFVHGXHZUERNP-AXFHLTTASA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638729141 352589717 /nfs/dbraw/zinc/58/97/17/352589717.db2.gz YOFVHGXHZUERNP-DCAQKATOSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638729142 352589517 /nfs/dbraw/zinc/58/95/17/352589517.db2.gz YOFVHGXHZUERNP-GARJFASQSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638729143 352589370 /nfs/dbraw/zinc/58/93/70/352589370.db2.gz YOFVHGXHZUERNP-HBNTYKKESA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638729190 352589645 /nfs/dbraw/zinc/58/96/45/352589645.db2.gz JRBJXFKDAQSNED-YTWAJWBKSA-N 1 3 223.320 -0.053 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638730403 352593320 /nfs/dbraw/zinc/59/33/20/352593320.db2.gz XKJANUPWFOWMNK-UKKRHICBSA-N 1 3 223.320 -0.338 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)C1CCC1 ZINC000638766464 352703191 /nfs/dbraw/zinc/70/31/91/352703191.db2.gz YENVLQMMCJNNPA-FXBDTBDDSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000638766465 352703147 /nfs/dbraw/zinc/70/31/47/352703147.db2.gz YENVLQMMCJNNPA-SFGNSQDASA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000638767193 352706934 /nfs/dbraw/zinc/70/69/34/352706934.db2.gz AMJRRBDBBPPFHS-IVZWLZJFSA-N 1 3 243.376 -0.052 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CSCCN1 ZINC000638767194 352706928 /nfs/dbraw/zinc/70/69/28/352706928.db2.gz AMJRRBDBBPPFHS-LPEHRKFASA-N 1 3 243.376 -0.052 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000638768216 352708985 /nfs/dbraw/zinc/70/89/85/352708985.db2.gz UCPMXMFLSHVLTB-JKUQZMGJSA-N 1 3 225.214 -0.257 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000638768217 352708921 /nfs/dbraw/zinc/70/89/21/352708921.db2.gz UCPMXMFLSHVLTB-KVQBGUIXSA-N 1 3 225.214 -0.257 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCOC1CNC1 ZINC000638768368 352706223 /nfs/dbraw/zinc/70/62/23/352706223.db2.gz XGZMTUBYWJZKEU-WCBMZHEXSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)COC1(C)CNC1 ZINC000638768392 352706039 /nfs/dbraw/zinc/70/60/39/352706039.db2.gz YILRLEQZAZIOSI-DTWKUNHWSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1NCC1(C)C ZINC000638768395 352706025 /nfs/dbraw/zinc/70/60/25/352706025.db2.gz YLIQAOVGBPMTBO-DJLDLDEBSA-N 1 3 211.309 -0.149 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000638768396 352706173 /nfs/dbraw/zinc/70/61/73/352706173.db2.gz YLIQAOVGBPMTBO-YIZRAAEISA-N 1 3 211.309 -0.149 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638772923 352713434 /nfs/dbraw/zinc/71/34/34/352713434.db2.gz BDBCLQFNMNMJBA-DTWKUNHWSA-N 1 3 215.297 -0.911 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000638773930 352720361 /nfs/dbraw/zinc/72/03/61/352720361.db2.gz SWYJRZYYVIJUAM-AEJSXWLSSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000638773931 352720300 /nfs/dbraw/zinc/72/03/00/352720300.db2.gz SWYJRZYYVIJUAM-IVZWLZJFSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000638774019 352720125 /nfs/dbraw/zinc/72/01/25/352720125.db2.gz VZGJGNHSVJBZDW-IVZWLZJFSA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000638774020 352720416 /nfs/dbraw/zinc/72/04/16/352720416.db2.gz VZGJGNHSVJBZDW-LPEHRKFASA-N 1 3 227.308 -0.769 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000638787964 385965323 /nfs/dbraw/zinc/96/53/23/385965323.db2.gz NONFILHXUDYJIT-GARJFASQSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000638787965 385965452 /nfs/dbraw/zinc/96/54/52/385965452.db2.gz NONFILHXUDYJIT-HBNTYKKESA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1CCN[C@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638791618 352754463 /nfs/dbraw/zinc/75/44/63/352754463.db2.gz PDPXVFHEIBODCT-AEJSXWLSSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638791619 352754333 /nfs/dbraw/zinc/75/43/33/352754333.db2.gz PDPXVFHEIBODCT-BBBLOLIVSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@H]1CCN[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638791620 352754341 /nfs/dbraw/zinc/75/43/41/352754341.db2.gz PDPXVFHEIBODCT-IVZWLZJFSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@@H]1CCN[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638791621 352754549 /nfs/dbraw/zinc/75/45/49/352754549.db2.gz PDPXVFHEIBODCT-OPRDCNLKSA-N 1 3 211.309 -0.147 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CNCCC1(F)F ZINC000638801780 352936058 /nfs/dbraw/zinc/93/60/58/352936058.db2.gz IUIXUIOQAYXSET-HTQZYQBOSA-N 1 3 233.262 -0.291 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CNCCC1(F)F ZINC000638801781 352936557 /nfs/dbraw/zinc/93/65/57/352936557.db2.gz IUIXUIOQAYXSET-SFYZADRCSA-N 1 3 233.262 -0.291 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638816760 352998035 /nfs/dbraw/zinc/99/80/35/352998035.db2.gz SXLYZTQHUDUTQL-AXFHLTTASA-N 1 3 241.335 -0.168 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638816761 352998081 /nfs/dbraw/zinc/99/80/81/352998081.db2.gz SXLYZTQHUDUTQL-MXWKQRLJSA-N 1 3 241.335 -0.168 20 0 BBADHO COCCNCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638823535 353004987 /nfs/dbraw/zinc/00/49/87/353004987.db2.gz UVZHCAWVVPXHBG-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO COCCNCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638823536 353005030 /nfs/dbraw/zinc/00/50/30/353005030.db2.gz UVZHCAWVVPXHBG-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO NCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638842374 353018719 /nfs/dbraw/zinc/01/87/19/353018719.db2.gz QHXAHZBSKNNWHM-UHFFFAOYSA-N 1 3 219.288 -0.093 20 0 BBADHO C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000638895736 353056506 /nfs/dbraw/zinc/05/65/06/353056506.db2.gz UVYUUBKQCOUKPM-DSYKOEDSSA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H]1C[NH3+] ZINC000638895737 353056633 /nfs/dbraw/zinc/05/66/33/353056633.db2.gz UVYUUBKQCOUKPM-FSDSQADBSA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H]1C[NH3+] ZINC000638895743 353056636 /nfs/dbraw/zinc/05/66/36/353056636.db2.gz UVYUUBKQCOUKPM-QYNIQEEDSA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000638895751 353056728 /nfs/dbraw/zinc/05/67/28/353056728.db2.gz UVYUUBKQCOUKPM-VQVTYTSYSA-N 1 3 239.241 -0.071 20 0 BBADHO O=C(CNC[C@@H]1CCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909044 353065778 /nfs/dbraw/zinc/06/57/78/353065778.db2.gz BXOBUPUBJSKGNZ-DCAQKATOSA-N 1 3 239.319 -0.672 20 0 BBADHO O=C(CNC[C@H]1CCCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909045 353065444 /nfs/dbraw/zinc/06/54/44/353065444.db2.gz BXOBUPUBJSKGNZ-GARJFASQSA-N 1 3 239.319 -0.672 20 0 BBADHO NC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCC1 ZINC000638909688 353066946 /nfs/dbraw/zinc/06/69/46/353066946.db2.gz IMHSVSMALVOOKL-IUCAKERBSA-N 1 3 209.293 -0.169 20 0 BBADHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909997 353066870 /nfs/dbraw/zinc/06/68/70/353066870.db2.gz KXBMAFZPNHVAPP-GUBZILKMSA-N 1 3 211.309 -0.068 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910229 353070082 /nfs/dbraw/zinc/07/00/82/353070082.db2.gz OWLXELYXSQTKRW-XHNCKOQMSA-N 1 3 211.309 -0.068 20 0 BBADHO O=C([C@@H]1CCCCN1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910441 353074927 /nfs/dbraw/zinc/07/49/27/353074927.db2.gz QYGKESRTNKJSTQ-GUBZILKMSA-N 1 3 209.293 -0.299 20 0 BBADHO O=C([C@H]1CCCCN1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910444 353074493 /nfs/dbraw/zinc/07/44/93/353074493.db2.gz QYGKESRTNKJSTQ-LPEHRKFASA-N 1 3 209.293 -0.299 20 0 BBADHO CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910573 353074672 /nfs/dbraw/zinc/07/46/72/353074672.db2.gz SMVIQMRTIQBGNS-KATARQTJSA-N 1 3 211.309 -0.068 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910649 353074482 /nfs/dbraw/zinc/07/44/82/353074482.db2.gz SMVIQMRTIQBGNS-XKNYDFJKSA-N 1 3 211.309 -0.068 20 0 BBADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913632 353072191 /nfs/dbraw/zinc/07/21/91/353072191.db2.gz AFNRNOROSSWIPO-UWVGGRQHSA-N 1 3 211.309 -0.099 20 0 BBADHO O=C(C[C@@H]1CSCCN1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913656 353072044 /nfs/dbraw/zinc/07/20/44/353072044.db2.gz BEHRWCUWVTWJKJ-AEJSXWLSSA-N 1 3 241.360 -0.346 20 0 BBADHO O=C(C[C@H]1CSCCN1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913657 353072251 /nfs/dbraw/zinc/07/22/51/353072251.db2.gz BEHRWCUWVTWJKJ-GUBZILKMSA-N 1 3 241.360 -0.346 20 0 BBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914164 353072838 /nfs/dbraw/zinc/07/28/38/353072838.db2.gz NSTGLBKFIAXIOP-UWVGGRQHSA-N 1 3 211.309 -0.101 20 0 BBADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914484 353072857 /nfs/dbraw/zinc/07/28/57/353072857.db2.gz SHWDYRSVVSOSEU-UWVGGRQHSA-N 1 3 211.309 -0.099 20 0 BBADHO N[C@@H](CC(F)F)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914520 353073374 /nfs/dbraw/zinc/07/33/74/353073374.db2.gz BBIYNCRCYYITRW-ACZMJKKPSA-N 1 3 219.235 -0.458 20 0 BBADHO N[C@H](CC(F)F)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914527 353073296 /nfs/dbraw/zinc/07/32/96/353073296.db2.gz BBIYNCRCYYITRW-LYFYHCNISA-N 1 3 219.235 -0.458 20 0 BBADHO NC(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(F)(F)F ZINC000638914529 353073336 /nfs/dbraw/zinc/07/33/36/353073336.db2.gz BCNGEIXENBDXKG-HCWXCVPCSA-N 1 3 223.198 -0.551 20 0 BBADHO NC(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(F)(F)F ZINC000638914534 353073467 /nfs/dbraw/zinc/07/34/67/353073467.db2.gz BCNGEIXENBDXKG-ZLUOBGJFSA-N 1 3 223.198 -0.551 20 0 BBADHO C[C@H]1CCN[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914992 353074137 /nfs/dbraw/zinc/07/41/37/353074137.db2.gz LKFNFJZOHPXNQQ-NAKRPEOUSA-N 1 3 223.320 -0.053 20 0 BBADHO C[C@@H]1CCN[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914993 353074298 /nfs/dbraw/zinc/07/42/98/353074298.db2.gz LKFNFJZOHPXNQQ-RCWTZXSCSA-N 1 3 223.320 -0.053 20 0 BBADHO C[C@@H]1CCN[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914994 353074318 /nfs/dbraw/zinc/07/43/18/353074318.db2.gz LKFNFJZOHPXNQQ-VPOLOUISSA-N 1 3 223.320 -0.053 20 0 BBADHO C[C@H]1CCN[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914995 353074229 /nfs/dbraw/zinc/07/42/29/353074229.db2.gz LKFNFJZOHPXNQQ-XWLWVQCSSA-N 1 3 223.320 -0.053 20 0 BBADHO N[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCC1 ZINC000638915485 353074883 /nfs/dbraw/zinc/07/48/83/353074883.db2.gz RHQPRFAEXSZPNA-GUBZILKMSA-N 1 3 209.293 -0.314 20 0 BBADHO N[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCC1 ZINC000638915486 353074793 /nfs/dbraw/zinc/07/47/93/353074793.db2.gz RHQPRFAEXSZPNA-LPEHRKFASA-N 1 3 209.293 -0.314 20 0 BBADHO O=C([C@@H]1CNCCC1(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915965 353076241 /nfs/dbraw/zinc/07/62/41/353076241.db2.gz RMPZWVNAJQYAAV-CIUDSAMLSA-N 1 3 245.273 -0.196 20 0 BBADHO O=C([C@H]1CNCCC1(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915966 353076298 /nfs/dbraw/zinc/07/62/98/353076298.db2.gz RMPZWVNAJQYAAV-XHNCKOQMSA-N 1 3 245.273 -0.196 20 0 BBADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(C)C ZINC000638917393 353081046 /nfs/dbraw/zinc/08/10/46/353081046.db2.gz PNDQXMDICAPJLU-GUBZILKMSA-N 1 3 211.309 -0.101 20 0 BBADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(C)C ZINC000638917395 353081377 /nfs/dbraw/zinc/08/13/77/353081377.db2.gz PNDQXMDICAPJLU-LPEHRKFASA-N 1 3 211.309 -0.101 20 0 BBADHO CC(C)[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638917832 353081883 /nfs/dbraw/zinc/08/18/83/353081883.db2.gz JFLFPMVXWZIDQG-AEJSXWLSSA-N 1 3 211.309 -0.068 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638917833 353081808 /nfs/dbraw/zinc/08/18/08/353081808.db2.gz JFLFPMVXWZIDQG-KXUCPTDWSA-N 1 3 211.309 -0.068 20 0 BBADHO O=C(C[C@H]1CNCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918922 353083891 /nfs/dbraw/zinc/08/38/91/353083891.db2.gz IMUITRDMCVLHJV-AXFHLTTASA-N 1 3 239.319 -0.672 20 0 BBADHO O=C(C[C@@H]1CNCCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918923 353084055 /nfs/dbraw/zinc/08/40/55/353084055.db2.gz IMUITRDMCVLHJV-OUAUKWLOSA-N 1 3 239.319 -0.672 20 0 BBADHO COCCNCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919383 353083884 /nfs/dbraw/zinc/08/38/84/353083884.db2.gz OJCHRSWVLUMNKI-AOOOYVTPSA-N 1 3 227.308 -0.815 20 0 BBADHO CC(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)S(C)(=O)=O ZINC000638922975 411515546 /nfs/dbraw/zinc/51/55/46/411515546.db2.gz OMADUSXIKSCGJF-HLTSFMKQSA-N 1 3 246.332 -0.618 20 0 BBADHO CC(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)S(C)(=O)=O ZINC000638922976 411515293 /nfs/dbraw/zinc/51/52/93/411515293.db2.gz OMADUSXIKSCGJF-XHNCKOQMSA-N 1 3 246.332 -0.618 20 0 BBADHO O=C(CCOC1CNC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924634 353085100 /nfs/dbraw/zinc/08/51/00/353085100.db2.gz CQZHLRSHLPCOJI-AOOOYVTPSA-N 1 3 239.319 -0.672 20 0 BBADHO N[C@H](CC(F)F)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924768 353085553 /nfs/dbraw/zinc/08/55/53/353085553.db2.gz FPVBVPZECRDTIY-GJMOJQLCSA-N 1 3 233.262 -0.068 20 0 BBADHO N[C@@H](CC(F)F)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924770 353085507 /nfs/dbraw/zinc/08/55/07/353085507.db2.gz FPVBVPZECRDTIY-RNJXMRFFSA-N 1 3 233.262 -0.068 20 0 BBADHO NC(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000638924871 353085612 /nfs/dbraw/zinc/08/56/12/353085612.db2.gz FXLYWBHOYMYTOX-DSYKOEDSSA-N 1 3 237.225 -0.161 20 0 BBADHO NC(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000638924875 353085624 /nfs/dbraw/zinc/08/56/24/353085624.db2.gz FXLYWBHOYMYTOX-XVMARJQXSA-N 1 3 237.225 -0.161 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925454 353085975 /nfs/dbraw/zinc/08/59/75/353085975.db2.gz MXDRPIBXFYEPTC-AEJSXWLSSA-N 1 3 223.320 -0.053 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925455 353086275 /nfs/dbraw/zinc/08/62/75/353086275.db2.gz MXDRPIBXFYEPTC-KXUCPTDWSA-N 1 3 223.320 -0.053 20 0 BBADHO NC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000638925723 353086139 /nfs/dbraw/zinc/08/61/39/353086139.db2.gz UWXQROQNTYOVHK-DTORHVGOSA-N 1 3 209.293 -0.169 20 0 BBADHO CC1(OCC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CNC1 ZINC000638926189 353086823 /nfs/dbraw/zinc/08/68/23/353086823.db2.gz WNQIEAHMKWWUPB-AOOOYVTPSA-N 1 3 239.319 -0.672 20 0 BBADHO O=C(CNC1CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926290 353086783 /nfs/dbraw/zinc/08/67/83/353086783.db2.gz YQQHNOGOMMCXGW-AOOOYVTPSA-N 1 3 209.293 -0.299 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926818 398204574 /nfs/dbraw/zinc/20/45/74/398204574.db2.gz MYVILIBYHKLZNJ-RGOKHQFPSA-N 1 3 225.292 -0.935 20 0 BBADHO CN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638929062 353098706 /nfs/dbraw/zinc/09/87/06/353098706.db2.gz PDVFVJFJSCEKHC-QWRGUYRKSA-N 1 3 223.320 -0.099 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)COC1(C)CNC1 ZINC000638930170 353091083 /nfs/dbraw/zinc/09/10/83/353091083.db2.gz FKCRSZUFMDRUTO-BDAKNGLRSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)COC1(C)CNC1 ZINC000638930171 353091038 /nfs/dbraw/zinc/09/10/38/353091038.db2.gz FKCRSZUFMDRUTO-DTWKUNHWSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)COC1(C)CNC1 ZINC000638930172 353091161 /nfs/dbraw/zinc/09/11/61/353091161.db2.gz FKCRSZUFMDRUTO-IUCAKERBSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)COC1(C)CNC1 ZINC000638930173 353091015 /nfs/dbraw/zinc/09/10/15/353091015.db2.gz FKCRSZUFMDRUTO-RKDXNWHRSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCOC1CNC1 ZINC000638932943 353094899 /nfs/dbraw/zinc/09/48/99/353094899.db2.gz ATAJWNWLGLBEAC-BDAKNGLRSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCOC1CNC1 ZINC000638932944 353094991 /nfs/dbraw/zinc/09/49/91/353094991.db2.gz ATAJWNWLGLBEAC-DTWKUNHWSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)CCOC1CNC1 ZINC000638932945 353094839 /nfs/dbraw/zinc/09/48/39/353094839.db2.gz ATAJWNWLGLBEAC-IUCAKERBSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCOC1CNC1 ZINC000638932946 353094775 /nfs/dbraw/zinc/09/47/75/353094775.db2.gz ATAJWNWLGLBEAC-RKDXNWHRSA-N 1 3 227.308 -0.687 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943123 353141438 /nfs/dbraw/zinc/14/14/38/353141438.db2.gz PSNRUDYDPIZXGH-XYPYZODXSA-N 1 3 243.351 -0.144 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CNC[C@H]1CCCO1 ZINC000638945602 353147818 /nfs/dbraw/zinc/14/78/18/353147818.db2.gz GXBLWAOIAXZRFK-GMTAPVOTSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CNC[C@@H]1CCCO1 ZINC000638945603 353147629 /nfs/dbraw/zinc/14/76/29/353147629.db2.gz GXBLWAOIAXZRFK-MXWKQRLJSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CNC[C@H]1CCCO1 ZINC000638945604 353147693 /nfs/dbraw/zinc/14/76/93/353147693.db2.gz GXBLWAOIAXZRFK-OUAUKWLOSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CNC[C@@H]1CCCO1 ZINC000638945605 353147688 /nfs/dbraw/zinc/14/76/88/353147688.db2.gz GXBLWAOIAXZRFK-VWYCJHECSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]1CNCCO1 ZINC000638946827 353149462 /nfs/dbraw/zinc/14/94/62/353149462.db2.gz PMNUPJPFEHRFRU-BBBLOLIVSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1CNCCO1 ZINC000638946828 353149297 /nfs/dbraw/zinc/14/92/97/353149297.db2.gz PMNUPJPFEHRFRU-KXUCPTDWSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1CNCCO1 ZINC000638946829 353149414 /nfs/dbraw/zinc/14/94/14/353149414.db2.gz PMNUPJPFEHRFRU-OPRDCNLKSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]1CNCCO1 ZINC000638946830 353149449 /nfs/dbraw/zinc/14/94/49/353149449.db2.gz PMNUPJPFEHRFRU-UTLUCORTSA-N 1 3 227.308 -0.687 20 0 BBADHO COCCNCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638948079 353150774 /nfs/dbraw/zinc/15/07/74/353150774.db2.gz ZCAFDIBCGHQVPV-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO COCCNCC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638948080 353150920 /nfs/dbraw/zinc/15/09/20/353150920.db2.gz ZCAFDIBCGHQVPV-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO COCCNCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638948081 353150736 /nfs/dbraw/zinc/15/07/36/353150736.db2.gz ZCAFDIBCGHQVPV-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO COCCNCC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638948082 353150652 /nfs/dbraw/zinc/15/06/52/353150652.db2.gz ZCAFDIBCGHQVPV-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO N[C@H]1CCO[C@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950168 353154960 /nfs/dbraw/zinc/15/49/60/353154960.db2.gz IWSDWNYPBMWNTG-XWLWVQCSSA-N 1 3 241.335 -0.264 20 0 BBADHO NCC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638986950 353216237 /nfs/dbraw/zinc/21/62/37/353216237.db2.gz JDCAKSNXIZIRHK-UHFFFAOYSA-N 1 3 235.291 -0.612 20 0 BBADHO CNCC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987308 353212654 /nfs/dbraw/zinc/21/26/54/353212654.db2.gz PEXQQMQIFKUSTD-UHFFFAOYSA-N 1 3 249.318 -0.351 20 0 BBADHO C[C@@H](N)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987729 353219608 /nfs/dbraw/zinc/21/96/08/353219608.db2.gz XKBQFDYPMVHOJQ-SECBINFHSA-N 1 3 249.318 -0.223 20 0 BBADHO C[C@H](N)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987730 353219619 /nfs/dbraw/zinc/21/96/19/353219619.db2.gz XKBQFDYPMVHOJQ-VIFPVBQESA-N 1 3 249.318 -0.223 20 0 BBADHO COCCNCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021633 353279915 /nfs/dbraw/zinc/27/99/15/353279915.db2.gz GOSNKILCWOSRSC-MGCOHNPYSA-N 1 3 229.324 -0.392 20 0 BBADHO [NH3+][C@H]1CC[C@H](NC(=O)CCOC2CNC2)CC1 ZINC000639030938 353298385 /nfs/dbraw/zinc/29/83/85/353298385.db2.gz KZMZIPWWICLTHE-MGCOHNPYSA-N 1 3 241.335 -0.249 20 0 BBADHO CC1(OCC(=O)N[C@H]2CC[C@H]([NH3+])CC2)CNC1 ZINC000639031784 353300899 /nfs/dbraw/zinc/30/08/99/353300899.db2.gz WVBAXYSOAWPPAC-MGCOHNPYSA-N 1 3 241.335 -0.249 20 0 BBADHO [NH3+][C@H]1CC[C@H](NC(=O)CN2CCNCC2)CC1 ZINC000639033029 353304448 /nfs/dbraw/zinc/30/44/48/353304448.db2.gz CVENORXGDGYGMS-XYPYZODXSA-N 1 3 240.351 -0.722 20 0 BBADHO C[NH+]1CCC2(CCN(CC(N)=O)C2)CC1 ZINC000639759575 356673234 /nfs/dbraw/zinc/67/32/34/356673234.db2.gz BTMVZTHYFSGOTE-UHFFFAOYSA-N 1 3 211.309 -0.111 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)NCCNc1ccncc1 ZINC000641423588 362407612 /nfs/dbraw/zinc/40/76/12/362407612.db2.gz CFONQUGEURACPR-SECBINFHSA-N 1 3 237.307 -0.438 20 0 BBADHO C[C@H]([NH3+])CNC(=O)NCCNc1ccncc1 ZINC000641423589 362408090 /nfs/dbraw/zinc/40/80/90/362408090.db2.gz CFONQUGEURACPR-VIFPVBQESA-N 1 3 237.307 -0.438 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000641426151 362413173 /nfs/dbraw/zinc/41/31/73/362413173.db2.gz SCSQAWNVWOQJCS-CIUDSAMLSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000641426152 362412360 /nfs/dbraw/zinc/41/23/60/362412360.db2.gz SCSQAWNVWOQJCS-DJLDLDEBSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000641426153 362412980 /nfs/dbraw/zinc/41/29/80/362412980.db2.gz SCSQAWNVWOQJCS-XHNCKOQMSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000641426154 362412837 /nfs/dbraw/zinc/41/28/37/362412837.db2.gz SCSQAWNVWOQJCS-YIZRAAEISA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000641426307 362410879 /nfs/dbraw/zinc/41/08/79/362410879.db2.gz SPWZFQVDPLUPQW-CIUDSAMLSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000641426308 362411009 /nfs/dbraw/zinc/41/10/09/362411009.db2.gz SPWZFQVDPLUPQW-DJLDLDEBSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000641426309 362410608 /nfs/dbraw/zinc/41/06/08/362410608.db2.gz SPWZFQVDPLUPQW-XHNCKOQMSA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000641426310 362410755 /nfs/dbraw/zinc/41/07/55/362410755.db2.gz SPWZFQVDPLUPQW-YIZRAAEISA-N 1 3 214.313 -0.275 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)N1CCNC(C)(C)C1 ZINC000641426343 362410510 /nfs/dbraw/zinc/41/05/10/362410510.db2.gz TYADBQJWIOKUDP-MRVPVSSYSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1CCNC(C)(C)C1 ZINC000641426349 362410711 /nfs/dbraw/zinc/41/07/11/362410711.db2.gz TYADBQJWIOKUDP-QMMMGPOBSA-N 1 3 214.313 -0.273 20 0 BBADHO COC[C@@H](C(N)=O)N(C)CC1CC[NH2+]CC1 ZINC000641793193 362735352 /nfs/dbraw/zinc/73/53/52/362735352.db2.gz HHAHCEKHLPAXLG-JTQLQIEISA-N 1 3 229.324 -0.582 20 0 BBADHO C[C@@H]([NH3+])C1CCN(CCCS(N)(=O)=O)CC1 ZINC000641796630 362739906 /nfs/dbraw/zinc/73/99/06/362739906.db2.gz FDRYNWVCPYARHG-SECBINFHSA-N 1 3 249.380 -0.276 20 0 BBADHO C[C@H]([NH3+])C1CCN(CCCS(N)(=O)=O)CC1 ZINC000641796631 362740505 /nfs/dbraw/zinc/74/05/05/362740505.db2.gz FDRYNWVCPYARHG-VIFPVBQESA-N 1 3 249.380 -0.276 20 0 BBADHO C[NH2+]CC1CCN(CCCS(N)(=O)=O)CC1 ZINC000641797168 362741607 /nfs/dbraw/zinc/74/16/07/362741607.db2.gz WOLLRELEXFUMIY-UHFFFAOYSA-N 1 3 249.380 -0.404 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CNCCO1 ZINC000641801048 362753047 /nfs/dbraw/zinc/75/30/47/362753047.db2.gz LXEWSRIAHRMQNO-AEJSXWLSSA-N 1 3 213.325 -0.310 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CNCCO1 ZINC000641801049 362753611 /nfs/dbraw/zinc/75/36/11/362753611.db2.gz LXEWSRIAHRMQNO-BBBLOLIVSA-N 1 3 213.325 -0.310 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CNCCO1 ZINC000641801050 362753368 /nfs/dbraw/zinc/75/33/68/362753368.db2.gz LXEWSRIAHRMQNO-IVZWLZJFSA-N 1 3 213.325 -0.310 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CNCCO1 ZINC000641801051 362753636 /nfs/dbraw/zinc/75/36/36/362753636.db2.gz LXEWSRIAHRMQNO-OPRDCNLKSA-N 1 3 213.325 -0.310 20 0 BBADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000641803096 362759731 /nfs/dbraw/zinc/75/97/31/362759731.db2.gz DPJWVWJVCIEKRF-HTQZYQBOSA-N 1 3 240.307 -0.746 20 0 BBADHO CC1(C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C[C@@H]1N ZINC000641803097 362760091 /nfs/dbraw/zinc/76/00/91/362760091.db2.gz DPJWVWJVCIEKRF-JGVFFNPUSA-N 1 3 240.307 -0.746 20 0 BBADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000641803098 362760373 /nfs/dbraw/zinc/76/03/73/362760373.db2.gz DPJWVWJVCIEKRF-SFYZADRCSA-N 1 3 240.307 -0.746 20 0 BBADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000641803099 362760432 /nfs/dbraw/zinc/76/04/32/362760432.db2.gz DPJWVWJVCIEKRF-YUMQZZPRSA-N 1 3 240.307 -0.746 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CCN(C)C(C)(C)C1 ZINC000641807725 362765887 /nfs/dbraw/zinc/76/58/87/362765887.db2.gz JSRLYXBVWAMRPG-GFCCVEGCSA-N 1 3 229.368 -0.017 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CCN(C)C(C)(C)C1 ZINC000641807726 362765696 /nfs/dbraw/zinc/76/56/96/362765696.db2.gz JSRLYXBVWAMRPG-LBPRGKRZSA-N 1 3 229.368 -0.017 20 0 BBADHO CN(CCOCC[NH3+])CCc1cn[nH]c1 ZINC000641821635 362772428 /nfs/dbraw/zinc/77/24/28/362772428.db2.gz NEKGWLLFSDDMLI-UHFFFAOYSA-N 1 3 212.297 -0.141 20 0 BBADHO CN(CCOCC[NH3+])CCc1cncn1C ZINC000641823035 362772064 /nfs/dbraw/zinc/77/20/64/362772064.db2.gz PSECUTVUTRIHBI-UHFFFAOYSA-N 1 3 226.324 -0.130 20 0 BBADHO NS(=O)(=O)CCCN1CCC(CC[NH3+])CC1 ZINC000641824659 362774188 /nfs/dbraw/zinc/77/41/88/362774188.db2.gz WRUBKTXMOOUOGM-UHFFFAOYSA-N 1 3 249.380 -0.274 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643801521 385119349 /nfs/dbraw/zinc/11/93/49/385119349.db2.gz JQBXLCWOYQPQPS-DTWKUNHWSA-N 1 3 209.293 -0.312 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000644064499 385413854 /nfs/dbraw/zinc/41/38/54/385413854.db2.gz MUDAVLMWLFSIEO-GXSJLCMTSA-N 1 3 231.340 -0.160 20 0 BBADHO CO[C@H](CN)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000644064500 385413477 /nfs/dbraw/zinc/41/34/77/385413477.db2.gz MUDAVLMWLFSIEO-KOLCDFICSA-N 1 3 231.340 -0.160 20 0 BBADHO CO[C@H](CN)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000644064501 385413168 /nfs/dbraw/zinc/41/31/68/385413168.db2.gz MUDAVLMWLFSIEO-MWLCHTKSSA-N 1 3 231.340 -0.160 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000644064502 385412960 /nfs/dbraw/zinc/41/29/60/385412960.db2.gz MUDAVLMWLFSIEO-ONGXEEELSA-N 1 3 231.340 -0.160 20 0 BBADHO CN(CCC[NH3+])C(=O)CNC[C@@H]1CCCO1 ZINC000644067499 385416018 /nfs/dbraw/zinc/41/60/18/385416018.db2.gz ZCRRRSMACUAFGM-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO CN(CCC[NH3+])C(=O)CNC[C@H]1CCCO1 ZINC000644067500 385416106 /nfs/dbraw/zinc/41/61/06/385416106.db2.gz ZCRRRSMACUAFGM-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO CC1(C)CNCCN1C(=O)CCOC1C[NH2+]C1 ZINC000644076116 385425553 /nfs/dbraw/zinc/42/55/53/385425553.db2.gz ZUVJGYYWDJBOJV-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO O=C(CCOC1CNC1)NC[C@@H]1CCCC[NH2+]1 ZINC000644080631 385427371 /nfs/dbraw/zinc/42/73/71/385427371.db2.gz WVALARNRZGJYGR-JTQLQIEISA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CCOC1CNC1)NC[C@H]1CCCC[NH2+]1 ZINC000644080632 385426729 /nfs/dbraw/zinc/42/67/29/385426729.db2.gz WVALARNRZGJYGR-SNVBAGLBSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CCOC1CNC1)NCC[NH2+]C1CC1 ZINC000644084285 385433406 /nfs/dbraw/zinc/43/34/06/385433406.db2.gz TXMLITJUBCHOQT-UHFFFAOYSA-N 1 3 227.308 -0.767 20 0 BBADHO CC(C)(C[NH3+])NC(=O)CNC[C@H]1CCCO1 ZINC000644084964 385430945 /nfs/dbraw/zinc/43/09/45/385430945.db2.gz HGRSVXRWKBPLEM-SECBINFHSA-N 1 3 229.324 -0.392 20 0 BBADHO CC(C)(C[NH3+])NC(=O)CNC[C@@H]1CCCO1 ZINC000644084965 385430376 /nfs/dbraw/zinc/43/03/76/385430376.db2.gz HGRSVXRWKBPLEM-VIFPVBQESA-N 1 3 229.324 -0.392 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CNCCC1(F)F ZINC000644097660 385463925 /nfs/dbraw/zinc/46/39/25/385463925.db2.gz IUIXUIOQAYXSET-JGVFFNPUSA-N 1 3 233.262 -0.291 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CNCCC1(F)F ZINC000644097661 385464183 /nfs/dbraw/zinc/46/41/83/385464183.db2.gz IUIXUIOQAYXSET-YUMQZZPRSA-N 1 3 233.262 -0.291 20 0 BBADHO N[C@H](Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000644105060 385478735 /nfs/dbraw/zinc/47/87/35/385478735.db2.gz WVEUKTCYDKMIBP-GFCCVEGCSA-N 1 3 233.315 -0.108 20 0 BBADHO N[C@@H](Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000644105061 385479412 /nfs/dbraw/zinc/47/94/12/385479412.db2.gz WVEUKTCYDKMIBP-LBPRGKRZSA-N 1 3 233.315 -0.108 20 0 BBADHO C[C@]1(C[NH3+])CCN(C(=O)CCOC2CNC2)C1 ZINC000644130368 385510369 /nfs/dbraw/zinc/51/03/69/385510369.db2.gz CBAXXRGGXCJTNA-GFCCVEGCSA-N 1 3 241.335 -0.438 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C(=O)CCOC2CNC2)C1 ZINC000644130369 385510165 /nfs/dbraw/zinc/51/01/65/385510165.db2.gz CBAXXRGGXCJTNA-LBPRGKRZSA-N 1 3 241.335 -0.438 20 0 BBADHO C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC[NH2+]C1 ZINC000644141908 385524604 /nfs/dbraw/zinc/52/46/04/385524604.db2.gz MGGNTGBZQHKOIX-ATZCPNFKSA-N 1 3 229.299 -0.198 20 0 BBADHO C[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC[NH2+]C1 ZINC000644141909 385524102 /nfs/dbraw/zinc/52/41/02/385524102.db2.gz MGGNTGBZQHKOIX-QXEWZRGKSA-N 1 3 229.299 -0.198 20 0 BBADHO [NH3+]CC1(CC(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000644141924 385521804 /nfs/dbraw/zinc/52/18/04/385521804.db2.gz PBPHOJIKMJMVJY-IUCAKERBSA-N 1 3 229.299 -0.068 20 0 BBADHO CC1(C(=O)NC[C@@H]2C[C@H](F)CN2)C[NH2+]C1 ZINC000644141950 385533229 /nfs/dbraw/zinc/53/32/29/385533229.db2.gz SNDOLJMBAIRTHF-YUMQZZPRSA-N 1 3 215.272 -0.588 20 0 BBADHO O=C(CCOC1CNC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644142731 385525515 /nfs/dbraw/zinc/52/55/15/385525515.db2.gz CXOUAQVCARMLSZ-IUCAKERBSA-N 1 3 245.298 -0.819 20 0 BBADHO C[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCC[NH2+]1 ZINC000644143085 385526603 /nfs/dbraw/zinc/52/66/03/385526603.db2.gz ZXFDEQUHEIDJBV-ATZCPNFKSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCC[NH2+]1 ZINC000644143086 385527018 /nfs/dbraw/zinc/52/70/18/385527018.db2.gz ZXFDEQUHEIDJBV-QXEWZRGKSA-N 1 3 229.299 -0.055 20 0 BBADHO O=C(CNC1CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145547 385536510 /nfs/dbraw/zinc/53/65/10/385536510.db2.gz KBGGZWOUYIRENK-JTQLQIEISA-N 1 3 223.320 -0.003 20 0 BBADHO O=C(CNC1CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145548 385536812 /nfs/dbraw/zinc/53/68/12/385536812.db2.gz KBGGZWOUYIRENK-SNVBAGLBSA-N 1 3 223.320 -0.003 20 0 BBADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000644161180 384234588 /nfs/dbraw/zinc/23/45/88/384234588.db2.gz YGJVVCHWRQFNLD-BDAKNGLRSA-N 1 3 227.308 -0.911 20 0 BBADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000644161181 384234357 /nfs/dbraw/zinc/23/43/57/384234357.db2.gz YGJVVCHWRQFNLD-DTWKUNHWSA-N 1 3 227.308 -0.911 20 0 BBADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000644161182 384233204 /nfs/dbraw/zinc/23/32/04/384233204.db2.gz YGJVVCHWRQFNLD-IUCAKERBSA-N 1 3 227.308 -0.911 20 0 BBADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000644161183 384234454 /nfs/dbraw/zinc/23/44/54/384234454.db2.gz YGJVVCHWRQFNLD-RKDXNWHRSA-N 1 3 227.308 -0.911 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000644161188 384233148 /nfs/dbraw/zinc/23/31/48/384233148.db2.gz YYUYOKZYNKEZPW-CIUDSAMLSA-N 1 3 215.297 -0.926 20 0 BBADHO C[C@@H](C(=O)NC[C@H]1CNCCO1)[C@H](C)[NH3+] ZINC000644161189 384234399 /nfs/dbraw/zinc/23/43/99/384234399.db2.gz YYUYOKZYNKEZPW-HRDYMLBCSA-N 1 3 215.297 -0.926 20 0 BBADHO C[C@@H](C(=O)NC[C@@H]1CNCCO1)[C@H](C)[NH3+] ZINC000644161190 384233602 /nfs/dbraw/zinc/23/36/02/384233602.db2.gz YYUYOKZYNKEZPW-VGMNWLOBSA-N 1 3 215.297 -0.926 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000644161191 384233629 /nfs/dbraw/zinc/23/36/29/384233629.db2.gz YYUYOKZYNKEZPW-XHNCKOQMSA-N 1 3 215.297 -0.926 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)CNC[C@@H]1CCCO1 ZINC000644164988 384243751 /nfs/dbraw/zinc/24/37/51/384243751.db2.gz VZMNUKRIUJJPIV-JTQLQIEISA-N 1 3 243.351 -0.001 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)CNC[C@H]1CCCO1 ZINC000644164989 384243029 /nfs/dbraw/zinc/24/30/29/384243029.db2.gz VZMNUKRIUJJPIV-SNVBAGLBSA-N 1 3 243.351 -0.001 20 0 BBADHO COCC[N@@H+](C)CCCNCCC(N)=O ZINC000644520905 384927424 /nfs/dbraw/zinc/92/74/24/384927424.db2.gz VDTRMECGZDHAOX-UHFFFAOYSA-N 1 3 217.313 -0.580 20 0 BBADHO COCC[N@H+](C)CCCNCCC(N)=O ZINC000644520905 384927415 /nfs/dbraw/zinc/92/74/15/384927415.db2.gz VDTRMECGZDHAOX-UHFFFAOYSA-N 1 3 217.313 -0.580 20 0 BBADHO C[C@@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000644539408 397837651 /nfs/dbraw/zinc/83/76/51/397837651.db2.gz IBBVMEXOPBUMKW-GHMZBOCLSA-N 1 3 243.351 -0.456 20 0 BBADHO C[C@@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000644539408 397837649 /nfs/dbraw/zinc/83/76/49/397837649.db2.gz IBBVMEXOPBUMKW-GHMZBOCLSA-N 1 3 243.351 -0.456 20 0 BBADHO C[C@@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000644539415 397837700 /nfs/dbraw/zinc/83/77/00/397837700.db2.gz IBBVMEXOPBUMKW-MNOVXSKESA-N 1 3 243.351 -0.456 20 0 BBADHO C[C@@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000644539415 397837696 /nfs/dbraw/zinc/83/76/96/397837696.db2.gz IBBVMEXOPBUMKW-MNOVXSKESA-N 1 3 243.351 -0.456 20 0 BBADHO C[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000644639734 385042759 /nfs/dbraw/zinc/04/27/59/385042759.db2.gz UNHQQQCVJVMNCF-LLVKDONJSA-N 1 3 229.368 -0.017 20 0 BBADHO CN(C)CCN1CCC([NH2+]CCC(N)=O)CC1 ZINC000644677751 385089367 /nfs/dbraw/zinc/08/93/67/385089367.db2.gz AFQVMKYSBCMQKL-UHFFFAOYSA-N 1 3 242.367 -0.523 20 0 BBADHO C[C@@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000644677859 385089803 /nfs/dbraw/zinc/08/98/03/385089803.db2.gz KOHCCNUWYDHWJS-LLVKDONJSA-N 1 3 229.368 -0.017 20 0 BBADHO C[C@@H]1CCCCN1CCNC(=O)COCC[NH3+] ZINC000645506363 387308793 /nfs/dbraw/zinc/30/87/93/387308793.db2.gz MNWMROLZEMKFQP-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO C[C@H]1CCCCN1CCNC(=O)COCC[NH3+] ZINC000645506364 387310237 /nfs/dbraw/zinc/31/02/37/387310237.db2.gz MNWMROLZEMKFQP-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO C[C@@H]1CCCN(CCNC(=O)COCC[NH3+])C1 ZINC000645506592 387330434 /nfs/dbraw/zinc/33/04/34/387330434.db2.gz ZLRVNXNIKNFLJE-LLVKDONJSA-N 1 3 243.351 -0.190 20 0 BBADHO C[C@H]1CCCN(CCNC(=O)COCC[NH3+])C1 ZINC000645506593 387330377 /nfs/dbraw/zinc/33/03/77/387330377.db2.gz ZLRVNXNIKNFLJE-NSHDSACASA-N 1 3 243.351 -0.190 20 0 BBADHO C[C@@H]([NH3+])CC(=O)NCCNc1ccncc1 ZINC000645642410 387945578 /nfs/dbraw/zinc/94/55/78/387945578.db2.gz HVIFPIIPABKNED-SECBINFHSA-N 1 3 222.292 -0.231 20 0 BBADHO [NH3+]CCOCC(=O)NCCNc1ccncc1 ZINC000645643252 387948180 /nfs/dbraw/zinc/94/81/80/387948180.db2.gz RTBAXKNEFLSVDE-UHFFFAOYSA-N 1 3 238.291 -0.993 20 0 BBADHO CN1CCC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000645685287 387269925 /nfs/dbraw/zinc/26/99/25/387269925.db2.gz ZGACAXNRRGRYCC-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CN1CCC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000645685288 387270825 /nfs/dbraw/zinc/27/08/25/387270825.db2.gz ZGACAXNRRGRYCC-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CNCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645802686 387941604 /nfs/dbraw/zinc/94/16/04/387941604.db2.gz FFHUCACSEKEADK-UHFFFAOYSA-N 1 3 225.296 -0.397 20 0 BBADHO C[C@@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645802712 387940748 /nfs/dbraw/zinc/94/07/48/387940748.db2.gz HCCIRULTIBKBKA-MRVPVSSYSA-N 1 3 225.296 -0.270 20 0 BBADHO C[C@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645802713 387942011 /nfs/dbraw/zinc/94/20/11/387942011.db2.gz HCCIRULTIBKBKA-QMMMGPOBSA-N 1 3 225.296 -0.270 20 0 BBADHO CN(C)CCn1cc(NC(=O)CC[NH3+])cn1 ZINC000645802868 387941725 /nfs/dbraw/zinc/94/17/25/387941725.db2.gz WPAYWMSYKYBREH-UHFFFAOYSA-N 1 3 225.296 -0.268 20 0 BBADHO C[C@H](C[NH3+])C(=O)Nc1cnn(CCN(C)C)c1 ZINC000645803309 387948227 /nfs/dbraw/zinc/94/82/27/387948227.db2.gz PMXOCYWBVGWAAG-SECBINFHSA-N 1 3 239.323 -0.022 20 0 BBADHO C[C@@H](C[NH3+])C(=O)Nc1cnn(CCN(C)C)c1 ZINC000645803310 387947233 /nfs/dbraw/zinc/94/72/33/387947233.db2.gz PMXOCYWBVGWAAG-VIFPVBQESA-N 1 3 239.323 -0.022 20 0 BBADHO C[NH2+]CCC(=O)Nc1cnn(CCN(C)C)c1 ZINC000645803357 387947464 /nfs/dbraw/zinc/94/74/64/387947464.db2.gz UGCIOYKGPYYBHR-UHFFFAOYSA-N 1 3 239.323 -0.007 20 0 BBADHO CN(C)CCn1cc(NC(=O)[C@H]2CC[NH2+]2)cn1 ZINC000645803363 387947209 /nfs/dbraw/zinc/94/72/09/387947209.db2.gz VAQFDYDJBHBWAB-SNVBAGLBSA-N 1 3 237.307 -0.255 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645885291 387979951 /nfs/dbraw/zinc/97/99/51/387979951.db2.gz KMTZNFUPCVJOKY-JTQLQIEISA-N 1 3 243.351 -0.321 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645885292 387981031 /nfs/dbraw/zinc/98/10/31/387981031.db2.gz KMTZNFUPCVJOKY-SNVBAGLBSA-N 1 3 243.351 -0.321 20 0 BBADHO COCCN1CC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645951633 487862650 /nfs/dbraw/zinc/86/26/50/487862650.db2.gz NNAQCYXZHPMHHB-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO COCCN1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645951634 388265290 /nfs/dbraw/zinc/26/52/90/388265290.db2.gz NNAQCYXZHPMHHB-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@H]1CC[NH2+]1 ZINC000645953244 388269492 /nfs/dbraw/zinc/26/94/92/388269492.db2.gz KZEUDJPIGJNJOZ-GHMZBOCLSA-N 1 3 223.320 -0.051 20 0 BBADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@H]1CC[NH2+]1 ZINC000645953245 388269271 /nfs/dbraw/zinc/26/92/71/388269271.db2.gz KZEUDJPIGJNJOZ-WDEREUQCSA-N 1 3 223.320 -0.051 20 0 BBADHO [NH3+]CCOCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953470 388269079 /nfs/dbraw/zinc/26/90/79/388269079.db2.gz VBTSTMYNKYJSRS-LLVKDONJSA-N 1 3 241.335 -0.438 20 0 BBADHO [NH3+]CCOCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953471 388269727 /nfs/dbraw/zinc/26/97/27/388269727.db2.gz VBTSTMYNKYJSRS-NSHDSACASA-N 1 3 241.335 -0.438 20 0 BBADHO CCN1CCCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000645964462 398016013 /nfs/dbraw/zinc/01/60/13/398016013.db2.gz WSBIVJZXNQLXSE-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO CCN1CCCC[C@H]1CNC(=O)COCC[NH3+] ZINC000645964463 398015742 /nfs/dbraw/zinc/01/57/42/398015742.db2.gz WSBIVJZXNQLXSE-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO CC[C@H](CN1CCCC1)NC(=O)COCC[NH3+] ZINC000646012479 388124050 /nfs/dbraw/zinc/12/40/50/388124050.db2.gz PUIKKOGBYNDLCC-LLVKDONJSA-N 1 3 243.351 -0.048 20 0 BBADHO CC[C@@H](CN1CCCC1)NC(=O)COCC[NH3+] ZINC000646012480 388124014 /nfs/dbraw/zinc/12/40/14/388124014.db2.gz PUIKKOGBYNDLCC-NSHDSACASA-N 1 3 243.351 -0.048 20 0 BBADHO C[C@@H]1C[C@H](N(C)C(=O)COCC[NH3+])CCN1C ZINC000646068938 388136184 /nfs/dbraw/zinc/13/61/84/388136184.db2.gz CBOOJEISVAIXES-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO C[C@@H]1C[C@@H](N(C)C(=O)COCC[NH3+])CCN1C ZINC000646068939 388136325 /nfs/dbraw/zinc/13/63/25/388136325.db2.gz CBOOJEISVAIXES-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO C[C@H]1C[C@@H](N(C)C(=O)COCC[NH3+])CCN1C ZINC000646068940 388136342 /nfs/dbraw/zinc/13/63/42/388136342.db2.gz CBOOJEISVAIXES-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO C[C@H]1C[C@H](N(C)C(=O)COCC[NH3+])CCN1C ZINC000646068941 388136231 /nfs/dbraw/zinc/13/62/31/388136231.db2.gz CBOOJEISVAIXES-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)COCC[NH3+] ZINC000646070682 388136948 /nfs/dbraw/zinc/13/69/48/388136948.db2.gz HUIBULVSTADUEA-GHMZBOCLSA-N 1 3 243.351 -0.240 20 0 BBADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)COCC[NH3+] ZINC000646070683 388136762 /nfs/dbraw/zinc/13/67/62/388136762.db2.gz HUIBULVSTADUEA-MNOVXSKESA-N 1 3 243.351 -0.240 20 0 BBADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)COCC[NH3+] ZINC000646070684 388136799 /nfs/dbraw/zinc/13/67/99/388136799.db2.gz HUIBULVSTADUEA-QWRGUYRKSA-N 1 3 243.351 -0.240 20 0 BBADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)COCC[NH3+] ZINC000646070685 388136957 /nfs/dbraw/zinc/13/69/57/388136957.db2.gz HUIBULVSTADUEA-WDEREUQCSA-N 1 3 243.351 -0.240 20 0 BBADHO COC1CCN(CCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000646180904 388160294 /nfs/dbraw/zinc/16/02/94/388160294.db2.gz JKKJCHXQJHUQKL-JTQLQIEISA-N 1 3 243.351 -0.192 20 0 BBADHO COC1CCN(CCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000646180905 388160286 /nfs/dbraw/zinc/16/02/86/388160286.db2.gz JKKJCHXQJHUQKL-SNVBAGLBSA-N 1 3 243.351 -0.192 20 0 BBADHO COC1CCN(CCNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000646180938 388160240 /nfs/dbraw/zinc/16/02/40/388160240.db2.gz LMWMVCLPDLJXQH-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO COC1CCN(CCNC(=O)CCC[NH3+])CC1 ZINC000646180947 388160272 /nfs/dbraw/zinc/16/02/72/388160272.db2.gz LSTQJYJUTGDSMK-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO C[NH2+]CCC(=O)NCCN1CCC(OC)CC1 ZINC000646181115 388160320 /nfs/dbraw/zinc/16/03/20/388160320.db2.gz XNWVWNBMHUCXPA-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)COCC[NH3+] ZINC000646222378 388168238 /nfs/dbraw/zinc/16/82/38/388168238.db2.gz DRNQNODDCVBFRX-GXSJLCMTSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)COCC[NH3+] ZINC000646222379 388168037 /nfs/dbraw/zinc/16/80/37/388168037.db2.gz DRNQNODDCVBFRX-KOLCDFICSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)COCC[NH3+] ZINC000646222380 388168193 /nfs/dbraw/zinc/16/81/93/388168193.db2.gz DRNQNODDCVBFRX-MWLCHTKSSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)COCC[NH3+] ZINC000646222382 388168307 /nfs/dbraw/zinc/16/83/07/388168307.db2.gz DRNQNODDCVBFRX-ONGXEEELSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)COCC[NH3+])[C@@H]2C1 ZINC000646297358 388178197 /nfs/dbraw/zinc/17/81/97/388178197.db2.gz CTPWEAPTTPXIFX-GHMZBOCLSA-N 1 3 241.335 -0.486 20 0 BBADHO CN1CC[C@@H]2CCN(C(=O)COCC[NH3+])[C@H]2C1 ZINC000646297359 388178292 /nfs/dbraw/zinc/17/82/92/388178292.db2.gz CTPWEAPTTPXIFX-MNOVXSKESA-N 1 3 241.335 -0.486 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)COCC[NH3+])[C@H]2C1 ZINC000646297360 388178302 /nfs/dbraw/zinc/17/83/02/388178302.db2.gz CTPWEAPTTPXIFX-QWRGUYRKSA-N 1 3 241.335 -0.486 20 0 BBADHO CN1CC[C@H]2CCN(C(=O)COCC[NH3+])[C@@H]2C1 ZINC000646297361 388178450 /nfs/dbraw/zinc/17/84/50/388178450.db2.gz CTPWEAPTTPXIFX-WDEREUQCSA-N 1 3 241.335 -0.486 20 0 BBADHO C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C)CN1 ZINC000646297868 388178208 /nfs/dbraw/zinc/17/82/08/388178208.db2.gz UASZCQCVJGZCNY-GMTAPVOTSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)CN1 ZINC000646297869 388178031 /nfs/dbraw/zinc/17/80/31/388178031.db2.gz UASZCQCVJGZCNY-MXWKQRLJSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C)CN1 ZINC000646297870 388178374 /nfs/dbraw/zinc/17/83/74/388178374.db2.gz UASZCQCVJGZCNY-OUAUKWLOSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C)CN1 ZINC000646297871 388178146 /nfs/dbraw/zinc/17/81/46/388178146.db2.gz UASZCQCVJGZCNY-VWYCJHECSA-N 1 3 241.335 -0.426 20 0 BBADHO CC(C)[C@H]1CN(C(=O)COCC[NH3+])CCN1 ZINC000646327520 388228110 /nfs/dbraw/zinc/22/81/10/388228110.db2.gz DEXIRYVOEVKWMC-SNVBAGLBSA-N 1 3 229.324 -0.582 20 0 BBADHO O=C([C@H]1C[C@H](F)CN1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336611 388263179 /nfs/dbraw/zinc/26/31/79/388263179.db2.gz ZIZHWVOLJIBUIF-LMLFDSFASA-N 1 3 241.310 -0.103 20 0 BBADHO O=C([C@H]1C[C@H](F)CN1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336612 388262999 /nfs/dbraw/zinc/26/29/99/388262999.db2.gz ZIZHWVOLJIBUIF-MMWGEVLESA-N 1 3 241.310 -0.103 20 0 BBADHO O=C([C@H]1C[C@H](F)CN1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336613 388262895 /nfs/dbraw/zinc/26/28/95/388262895.db2.gz ZIZHWVOLJIBUIF-UKKRHICBSA-N 1 3 241.310 -0.103 20 0 BBADHO O=C([C@H]1C[C@H](F)CN1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336614 388263007 /nfs/dbraw/zinc/26/30/07/388263007.db2.gz ZIZHWVOLJIBUIF-YTWAJWBKSA-N 1 3 241.310 -0.103 20 0 BBADHO O=C(CNC1CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646343367 388299426 /nfs/dbraw/zinc/29/94/26/388299426.db2.gz NZYKQQRCSCBQHZ-GXSJLCMTSA-N 1 3 223.320 -0.051 20 0 BBADHO O=C(CNC1CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646343368 388299167 /nfs/dbraw/zinc/29/91/67/388299167.db2.gz NZYKQQRCSCBQHZ-KOLCDFICSA-N 1 3 223.320 -0.051 20 0 BBADHO O=C(CNC1CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646343369 388299434 /nfs/dbraw/zinc/29/94/34/388299434.db2.gz NZYKQQRCSCBQHZ-MWLCHTKSSA-N 1 3 223.320 -0.051 20 0 BBADHO O=C(CNC1CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646343370 388299053 /nfs/dbraw/zinc/29/90/53/388299053.db2.gz NZYKQQRCSCBQHZ-ONGXEEELSA-N 1 3 223.320 -0.051 20 0 BBADHO CN(C(=O)COCC[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000646430686 388358075 /nfs/dbraw/zinc/35/80/75/388358075.db2.gz BHXSZPKEYYOUIX-LLVKDONJSA-N 1 3 241.335 -0.343 20 0 BBADHO CN(C(=O)COCC[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000646430687 388358185 /nfs/dbraw/zinc/35/81/85/388358185.db2.gz BHXSZPKEYYOUIX-NSHDSACASA-N 1 3 241.335 -0.343 20 0 BBADHO [NH3+]CCOCC(=O)N1CCN2CCC1CC2 ZINC000646450132 388360249 /nfs/dbraw/zinc/36/02/49/388360249.db2.gz JQKUMLLHMATREL-UHFFFAOYSA-N 1 3 227.308 -0.732 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000646467203 388361754 /nfs/dbraw/zinc/36/17/54/388361754.db2.gz PWJKTIPXKKROAH-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000646467204 388361731 /nfs/dbraw/zinc/36/17/31/388361731.db2.gz PWJKTIPXKKROAH-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000646467205 388362167 /nfs/dbraw/zinc/36/21/67/388362167.db2.gz PWJKTIPXKKROAH-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CO[C@H](CN)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000646467206 388362037 /nfs/dbraw/zinc/36/20/37/388362037.db2.gz PWJKTIPXKKROAH-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CN(CCN(C)C1CC1)C(=O)COCC[NH3+] ZINC000646523191 388375364 /nfs/dbraw/zinc/37/53/64/388375364.db2.gz KDZVCBCNDJJISJ-UHFFFAOYSA-N 1 3 229.324 -0.486 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)COCC[NH3+])CN1C1CC1 ZINC000646530084 388377387 /nfs/dbraw/zinc/37/73/87/388377387.db2.gz VQDCZGBOMNVIOA-NXEZZACHSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]1C[C@H](NC(=O)COCC[NH3+])CN1C1CC1 ZINC000646530085 388377152 /nfs/dbraw/zinc/37/71/52/388377152.db2.gz VQDCZGBOMNVIOA-UWVGGRQHSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)COCC[NH3+])CN1C1CC1 ZINC000646530086 388377404 /nfs/dbraw/zinc/37/74/04/388377404.db2.gz VQDCZGBOMNVIOA-VHSXEESVSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)COCC[NH3+])CN1C1CC1 ZINC000646530087 388377602 /nfs/dbraw/zinc/37/76/02/388377602.db2.gz VQDCZGBOMNVIOA-ZJUUUORDSA-N 1 3 241.335 -0.297 20 0 BBADHO CN(C)CCN(C(=O)COCC[NH3+])C1CC1 ZINC000646542792 388379381 /nfs/dbraw/zinc/37/93/81/388379381.db2.gz WGSOIFXDVFCWEB-UHFFFAOYSA-N 1 3 229.324 -0.486 20 0 BBADHO [NH3+][C@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000646570243 388386043 /nfs/dbraw/zinc/38/60/43/388386043.db2.gz ZELGDFYLSOACCW-UWVGGRQHSA-N 1 3 227.308 -0.685 20 0 BBADHO [NH3+][C@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000646570244 388385849 /nfs/dbraw/zinc/38/58/49/388385849.db2.gz ZELGDFYLSOACCW-VHSXEESVSA-N 1 3 227.308 -0.685 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000646594407 388392443 /nfs/dbraw/zinc/39/24/43/388392443.db2.gz GGBQHHFILAOIHQ-NXEZZACHSA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000646594408 388392725 /nfs/dbraw/zinc/39/27/25/388392725.db2.gz GGBQHHFILAOIHQ-UWVGGRQHSA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000646594409 388392940 /nfs/dbraw/zinc/39/29/40/388392940.db2.gz GGBQHHFILAOIHQ-VHSXEESVSA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000646594410 388392736 /nfs/dbraw/zinc/39/27/36/388392736.db2.gz GGBQHHFILAOIHQ-ZJUUUORDSA-N 1 3 227.308 -0.815 20 0 BBADHO CNCC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000646615621 388396061 /nfs/dbraw/zinc/39/60/61/388396061.db2.gz VVURDKBSJZVSSA-UHFFFAOYSA-N 1 3 236.319 -0.103 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CCCC[NH2+]1 ZINC000646649636 388401965 /nfs/dbraw/zinc/40/19/65/388401965.db2.gz OQOSUJWTGLVSRW-GHMZBOCLSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CCCC[NH2+]1 ZINC000646649637 388401819 /nfs/dbraw/zinc/40/18/19/388401819.db2.gz OQOSUJWTGLVSRW-MNOVXSKESA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649638 388401929 /nfs/dbraw/zinc/40/19/29/388401929.db2.gz OQOSUJWTGLVSRW-QWRGUYRKSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649639 388402242 /nfs/dbraw/zinc/40/22/42/388402242.db2.gz OQOSUJWTGLVSRW-WDEREUQCSA-N 1 3 241.335 -0.377 20 0 BBADHO [NH3+]C1CCC(NC(=O)CCOC2CNC2)CC1 ZINC000646664680 388406656 /nfs/dbraw/zinc/40/66/56/388406656.db2.gz KZMZIPWWICLTHE-UHFFFAOYSA-N 1 3 241.335 -0.249 20 0 BBADHO N[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)C1CCC1 ZINC000646669991 388410077 /nfs/dbraw/zinc/41/00/77/388410077.db2.gz NZUUJGIYRVVXFT-PSASIEDQSA-N 1 3 211.309 -0.079 20 0 BBADHO N[C@H](C(=O)N1CC[C@H](C[NH3+])C1)C1CCC1 ZINC000646669992 388410447 /nfs/dbraw/zinc/41/04/47/388410447.db2.gz NZUUJGIYRVVXFT-SCZZXKLOSA-N 1 3 211.309 -0.079 20 0 BBADHO N[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)C1CCC1 ZINC000646669993 388410574 /nfs/dbraw/zinc/41/05/74/388410574.db2.gz NZUUJGIYRVVXFT-WCBMZHEXSA-N 1 3 211.309 -0.079 20 0 BBADHO N[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)C1CCC1 ZINC000646669994 388410184 /nfs/dbraw/zinc/41/01/84/388410184.db2.gz NZUUJGIYRVVXFT-WPRPVWTQSA-N 1 3 211.309 -0.079 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CCC[NH2+]1 ZINC000646683362 398082864 /nfs/dbraw/zinc/08/28/64/398082864.db2.gz YMGROGNBUVQGCE-NXEZZACHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CCC[NH2+]1 ZINC000646683363 398083550 /nfs/dbraw/zinc/08/35/50/398083550.db2.gz YMGROGNBUVQGCE-UWVGGRQHSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CCC[NH2+]1 ZINC000646683364 398083575 /nfs/dbraw/zinc/08/35/75/398083575.db2.gz YMGROGNBUVQGCE-VHSXEESVSA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CCC[NH2+]1 ZINC000646683365 398083524 /nfs/dbraw/zinc/08/35/24/398083524.db2.gz YMGROGNBUVQGCE-ZJUUUORDSA-N 1 3 227.308 -0.767 20 0 BBADHO N[C@H](C(=O)NCC[NH2+]C1CC1)C1CCC1 ZINC000646686009 388415650 /nfs/dbraw/zinc/41/56/50/388415650.db2.gz NIMFLQCXOIBFFI-JTQLQIEISA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H](C(=O)NCC[NH2+]C1CC1)C1CCC1 ZINC000646686010 388415444 /nfs/dbraw/zinc/41/54/44/388415444.db2.gz NIMFLQCXOIBFFI-SNVBAGLBSA-N 1 3 211.309 -0.018 20 0 BBADHO O=C(C[C@H]1CNCCO1)NCC[NH2+]C1CC1 ZINC000646687300 388416281 /nfs/dbraw/zinc/41/62/81/388416281.db2.gz XNFYGDVKDYSPTQ-JTQLQIEISA-N 1 3 227.308 -0.767 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NCC[NH2+]C1CC1 ZINC000646687301 388416413 /nfs/dbraw/zinc/41/64/13/388416413.db2.gz XNFYGDVKDYSPTQ-SNVBAGLBSA-N 1 3 227.308 -0.767 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)C[C@@H]1CNCCO1 ZINC000646689385 388417649 /nfs/dbraw/zinc/41/76/49/388417649.db2.gz VXUTWYGHYGPKES-LLVKDONJSA-N 1 3 243.351 -0.131 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)C[C@H]1CNCCO1 ZINC000646689386 388417666 /nfs/dbraw/zinc/41/76/66/388417666.db2.gz VXUTWYGHYGPKES-NSHDSACASA-N 1 3 243.351 -0.131 20 0 BBADHO N[C@H](CNC(=O)COCC[NH3+])c1ccccc1 ZINC000646697037 388419092 /nfs/dbraw/zinc/41/90/92/388419092.db2.gz LYDIKLUZHIEEIG-LLVKDONJSA-N 1 3 237.303 -0.222 20 0 BBADHO N[C@@H](CNC(=O)COCC[NH3+])c1ccccc1 ZINC000646697041 388419334 /nfs/dbraw/zinc/41/93/34/388419334.db2.gz LYDIKLUZHIEEIG-NSHDSACASA-N 1 3 237.303 -0.222 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)CCOC1CNC1 ZINC000646817227 388555301 /nfs/dbraw/zinc/55/53/01/388555301.db2.gz CBJCAAKKFUXVCO-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)CCOC1CNC1 ZINC000646817228 388555812 /nfs/dbraw/zinc/55/58/12/388555812.db2.gz CBJCAAKKFUXVCO-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CN1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000646833144 388563339 /nfs/dbraw/zinc/56/33/39/388563339.db2.gz BNJSWWXOXSFBBU-GHMZBOCLSA-N 1 3 240.351 -0.913 20 0 BBADHO CN1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000646833145 388562852 /nfs/dbraw/zinc/56/28/52/388562852.db2.gz BNJSWWXOXSFBBU-MNOVXSKESA-N 1 3 240.351 -0.913 20 0 BBADHO CN1CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000646833146 388563440 /nfs/dbraw/zinc/56/34/40/388563440.db2.gz BNJSWWXOXSFBBU-QWRGUYRKSA-N 1 3 240.351 -0.913 20 0 BBADHO CN1CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000646833147 388562843 /nfs/dbraw/zinc/56/28/43/388562843.db2.gz BNJSWWXOXSFBBU-WDEREUQCSA-N 1 3 240.351 -0.913 20 0 BBADHO CN1CCN(C(=O)CC(C)(C)[NH3+])[C@H](CN)C1 ZINC000646833195 388563138 /nfs/dbraw/zinc/56/31/38/388563138.db2.gz OVOBMRQVWJHBLP-SECBINFHSA-N 1 3 228.340 -0.785 20 0 BBADHO CN1CCN(C(=O)CC(C)(C)[NH3+])[C@@H](CN)C1 ZINC000646833196 388563714 /nfs/dbraw/zinc/56/37/14/388563714.db2.gz OVOBMRQVWJHBLP-VIFPVBQESA-N 1 3 228.340 -0.785 20 0 BBADHO CN1CCN(C(=O)CC2(C[NH3+])CC2)[C@@H](CN)C1 ZINC000646835378 388564837 /nfs/dbraw/zinc/56/48/37/388564837.db2.gz RPMALIBEMYKYNW-JTQLQIEISA-N 1 3 240.351 -0.783 20 0 BBADHO CN1CCN(C(=O)CC2(C[NH3+])CC2)[C@H](CN)C1 ZINC000646835379 388564603 /nfs/dbraw/zinc/56/46/03/388564603.db2.gz RPMALIBEMYKYNW-SNVBAGLBSA-N 1 3 240.351 -0.783 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646843813 388619864 /nfs/dbraw/zinc/61/98/64/388619864.db2.gz LZPSJBFMJVEWHB-AEJSXWLSSA-N 1 3 229.324 -0.456 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646843814 388620608 /nfs/dbraw/zinc/62/06/08/388620608.db2.gz LZPSJBFMJVEWHB-BBBLOLIVSA-N 1 3 229.324 -0.456 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646843815 388620536 /nfs/dbraw/zinc/62/05/36/388620536.db2.gz LZPSJBFMJVEWHB-GUBZILKMSA-N 1 3 229.324 -0.456 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646843816 388620762 /nfs/dbraw/zinc/62/07/62/388620762.db2.gz LZPSJBFMJVEWHB-IVZWLZJFSA-N 1 3 229.324 -0.456 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646843817 388620350 /nfs/dbraw/zinc/62/03/50/388620350.db2.gz LZPSJBFMJVEWHB-KXUCPTDWSA-N 1 3 229.324 -0.456 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646843818 388620082 /nfs/dbraw/zinc/62/00/82/388620082.db2.gz LZPSJBFMJVEWHB-LPEHRKFASA-N 1 3 229.324 -0.456 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646843819 388620233 /nfs/dbraw/zinc/62/02/33/388620233.db2.gz LZPSJBFMJVEWHB-OPRDCNLKSA-N 1 3 229.324 -0.456 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646843820 388620169 /nfs/dbraw/zinc/62/01/69/388620169.db2.gz LZPSJBFMJVEWHB-UTLUCORTSA-N 1 3 229.324 -0.456 20 0 BBADHO CCN(CC)CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646844773 388623834 /nfs/dbraw/zinc/62/38/34/388623834.db2.gz AEDGADDQCFNYIN-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CCN(CC)CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646844774 388624360 /nfs/dbraw/zinc/62/43/60/388624360.db2.gz AEDGADDQCFNYIN-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CCN(CC)CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646844775 388624388 /nfs/dbraw/zinc/62/43/88/388624388.db2.gz AEDGADDQCFNYIN-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CCN(CC)CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646844776 388624094 /nfs/dbraw/zinc/62/40/94/388624094.db2.gz AEDGADDQCFNYIN-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646846598 388624171 /nfs/dbraw/zinc/62/41/71/388624171.db2.gz UAOUYYMMWVQZHH-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646846599 388624183 /nfs/dbraw/zinc/62/41/83/388624183.db2.gz UAOUYYMMWVQZHH-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646846600 388623901 /nfs/dbraw/zinc/62/39/01/388623901.db2.gz UAOUYYMMWVQZHH-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646846601 388624384 /nfs/dbraw/zinc/62/43/84/388624384.db2.gz UAOUYYMMWVQZHH-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646848121 388624165 /nfs/dbraw/zinc/62/41/65/388624165.db2.gz KVXMQJKNDOOFPC-GHMZBOCLSA-N 1 3 243.351 -0.099 20 0 BBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646848122 388624519 /nfs/dbraw/zinc/62/45/19/388624519.db2.gz KVXMQJKNDOOFPC-MNOVXSKESA-N 1 3 243.351 -0.099 20 0 BBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646848123 388624475 /nfs/dbraw/zinc/62/44/75/388624475.db2.gz KVXMQJKNDOOFPC-QWRGUYRKSA-N 1 3 243.351 -0.099 20 0 BBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646848124 388625340 /nfs/dbraw/zinc/62/53/40/388625340.db2.gz KVXMQJKNDOOFPC-WDEREUQCSA-N 1 3 243.351 -0.099 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)C2CCC2)CCO1 ZINC000646850947 388625185 /nfs/dbraw/zinc/62/51/85/388625185.db2.gz LYRAWIXXFQGGPK-GDPRMGEGSA-N 1 3 241.335 -0.312 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CCO1 ZINC000646850948 388625349 /nfs/dbraw/zinc/62/53/49/388625349.db2.gz LYRAWIXXFQGGPK-INTQDDNPSA-N 1 3 241.335 -0.312 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](N)C2CCC2)CCO1 ZINC000646850949 388625223 /nfs/dbraw/zinc/62/52/23/388625223.db2.gz LYRAWIXXFQGGPK-JMJZKYOTSA-N 1 3 241.335 -0.312 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CCO1 ZINC000646850950 388624952 /nfs/dbraw/zinc/62/49/52/388624952.db2.gz LYRAWIXXFQGGPK-LSJOCFKGSA-N 1 3 241.335 -0.312 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(N)CCC2)CCO1 ZINC000646851379 388625147 /nfs/dbraw/zinc/62/51/47/388625147.db2.gz UKCVNGGJOJKILQ-BDAKNGLRSA-N 1 3 227.308 -0.558 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C2(N)CCC2)CCO1 ZINC000646851380 388625114 /nfs/dbraw/zinc/62/51/14/388625114.db2.gz UKCVNGGJOJKILQ-DTWKUNHWSA-N 1 3 227.308 -0.558 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(N)CCC2)CCO1 ZINC000646851381 388625421 /nfs/dbraw/zinc/62/54/21/388625421.db2.gz UKCVNGGJOJKILQ-IUCAKERBSA-N 1 3 227.308 -0.558 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(N)CCC2)CCO1 ZINC000646851382 388624942 /nfs/dbraw/zinc/62/49/42/388624942.db2.gz UKCVNGGJOJKILQ-RKDXNWHRSA-N 1 3 227.308 -0.558 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646856263 388626034 /nfs/dbraw/zinc/62/60/34/388626034.db2.gz DIHGVIUYRFGFAX-MMWGEVLESA-N 1 3 243.351 -0.066 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646856264 388625997 /nfs/dbraw/zinc/62/59/97/388625997.db2.gz DIHGVIUYRFGFAX-NAKRPEOUSA-N 1 3 243.351 -0.066 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646856265 388625901 /nfs/dbraw/zinc/62/59/01/388625901.db2.gz DIHGVIUYRFGFAX-VLEAKVRGSA-N 1 3 243.351 -0.066 20 0 BBADHO CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646856266 388625994 /nfs/dbraw/zinc/62/59/94/388625994.db2.gz DIHGVIUYRFGFAX-ZDCRXTMVSA-N 1 3 243.351 -0.066 20 0 BBADHO CC(C)C[C@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646856279 388626323 /nfs/dbraw/zinc/62/63/23/388626323.db2.gz DQBNODAWQWQWOV-DCAQKATOSA-N 1 3 243.351 -0.066 20 0 BBADHO CC(C)C[C@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646856280 388626038 /nfs/dbraw/zinc/62/60/38/388626038.db2.gz DQBNODAWQWQWOV-GARJFASQSA-N 1 3 243.351 -0.066 20 0 BBADHO CC(C)C[C@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646856281 388626064 /nfs/dbraw/zinc/62/60/64/388626064.db2.gz DQBNODAWQWQWOV-OUAUKWLOSA-N 1 3 243.351 -0.066 20 0 BBADHO CC(C)C[C@H](N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646856282 388626356 /nfs/dbraw/zinc/62/63/56/388626356.db2.gz DQBNODAWQWQWOV-VWYCJHECSA-N 1 3 243.351 -0.066 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000646857000 388626089 /nfs/dbraw/zinc/62/60/89/388626089.db2.gz UZMXMMRMSJQIRK-PSASIEDQSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000646857001 388626268 /nfs/dbraw/zinc/62/62/68/388626268.db2.gz UZMXMMRMSJQIRK-SCZZXKLOSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000646857002 388626253 /nfs/dbraw/zinc/62/62/53/388626253.db2.gz UZMXMMRMSJQIRK-WCBMZHEXSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000646857003 388625894 /nfs/dbraw/zinc/62/58/94/388625894.db2.gz UZMXMMRMSJQIRK-WPRPVWTQSA-N 1 3 227.308 -0.687 20 0 BBADHO COCCNCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000646905106 385013815 /nfs/dbraw/zinc/01/38/15/385013815.db2.gz AHFBNZAEPBMSRT-QWRGUYRKSA-N 1 3 243.351 -0.273 20 0 BBADHO COCCNCCNC(=O)CC1CC[NH2+]CC1 ZINC000646905205 385014070 /nfs/dbraw/zinc/01/40/70/385014070.db2.gz VADXFAMUBRSGON-UHFFFAOYSA-N 1 3 243.351 -0.272 20 0 BBADHO COCCNCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000646905794 385024995 /nfs/dbraw/zinc/02/49/95/385024995.db2.gz HJWLIMOBTFPSHA-NSHDSACASA-N 1 3 243.351 -0.129 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@@H](N)C1CCC1 ZINC000646905835 385025875 /nfs/dbraw/zinc/02/58/75/385025875.db2.gz IWYJNOVHJGEREN-JTQLQIEISA-N 1 3 229.324 -0.534 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@H](N)C1CCC1 ZINC000646905836 385024699 /nfs/dbraw/zinc/02/46/99/385024699.db2.gz IWYJNOVHJGEREN-SNVBAGLBSA-N 1 3 229.324 -0.534 20 0 BBADHO CCC[C@@](C)(N)C(=O)NCC[NH2+]CCOC ZINC000646907800 385054335 /nfs/dbraw/zinc/05/43/35/385054335.db2.gz DIOGVPMWXKGZCA-LLVKDONJSA-N 1 3 231.340 -0.144 20 0 BBADHO CCC[C@](C)(N)C(=O)NCC[NH2+]CCOC ZINC000646907801 385053616 /nfs/dbraw/zinc/05/36/16/385053616.db2.gz DIOGVPMWXKGZCA-NSHDSACASA-N 1 3 231.340 -0.144 20 0 BBADHO C[NH2+]CCC1CCN(C(=O)[C@@H](CN)OC)CC1 ZINC000646917321 385057506 /nfs/dbraw/zinc/05/75/06/385057506.db2.gz GJRPIIRFVYESFV-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO C[NH2+]CCC1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000646917322 385058806 /nfs/dbraw/zinc/05/88/06/385058806.db2.gz GJRPIIRFVYESFV-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO COCCNCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000646965940 385091509 /nfs/dbraw/zinc/09/15/09/385091509.db2.gz FODHESIMPYINGU-GFCCVEGCSA-N 1 3 243.351 -0.272 20 0 BBADHO COCCNCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000646965941 385090500 /nfs/dbraw/zinc/09/05/00/385090500.db2.gz FODHESIMPYINGU-LBPRGKRZSA-N 1 3 243.351 -0.272 20 0 BBADHO NC1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC1 ZINC000646973164 385100450 /nfs/dbraw/zinc/10/04/50/385100450.db2.gz SRZXXRYRWMLRLN-MRVPVSSYSA-N 1 3 213.281 -0.946 20 0 BBADHO NC1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC1 ZINC000646973165 385099926 /nfs/dbraw/zinc/09/99/26/385099926.db2.gz SRZXXRYRWMLRLN-QMMMGPOBSA-N 1 3 213.281 -0.946 20 0 BBADHO CC(C)C[C@@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000646973413 385102437 /nfs/dbraw/zinc/10/24/37/385102437.db2.gz HKATWFRKAKIIQG-NXEZZACHSA-N 1 3 229.324 -0.454 20 0 BBADHO CC(C)C[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000646973414 385102244 /nfs/dbraw/zinc/10/22/44/385102244.db2.gz HKATWFRKAKIIQG-VHSXEESVSA-N 1 3 229.324 -0.454 20 0 BBADHO COCCNCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000646983374 385115736 /nfs/dbraw/zinc/11/57/36/385115736.db2.gz NCQHVXGEFHWBOD-SNVBAGLBSA-N 1 3 229.324 -0.519 20 0 BBADHO O=C(CCOC1CNC1)N[C@H]1CCC[NH2+]CC1 ZINC000646988163 385117502 /nfs/dbraw/zinc/11/75/02/385117502.db2.gz HOZHHEBOASCZRM-JTQLQIEISA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CCOC1CNC1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988164 385118065 /nfs/dbraw/zinc/11/80/65/385118065.db2.gz HOZHHEBOASCZRM-SNVBAGLBSA-N 1 3 241.335 -0.377 20 0 BBADHO COCCNCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988429 385121593 /nfs/dbraw/zinc/12/15/93/385121593.db2.gz PPFJWBYVBSDJAP-JTQLQIEISA-N 1 3 229.324 -0.519 20 0 BBADHO COCCNCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988430 385121428 /nfs/dbraw/zinc/12/14/28/385121428.db2.gz PPFJWBYVBSDJAP-SNVBAGLBSA-N 1 3 229.324 -0.519 20 0 BBADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988453 385121444 /nfs/dbraw/zinc/12/14/44/385121444.db2.gz QFMKQGLEZFPKSW-GHMZBOCLSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(C[C@H]1CNCCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988454 385121061 /nfs/dbraw/zinc/12/10/61/385121061.db2.gz QFMKQGLEZFPKSW-MNOVXSKESA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(C[C@H]1CNCCO1)N[C@H]1CCC[NH2+]CC1 ZINC000646988455 385119976 /nfs/dbraw/zinc/11/99/76/385119976.db2.gz QFMKQGLEZFPKSW-QWRGUYRKSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CCC[NH2+]CC1 ZINC000646988456 385120208 /nfs/dbraw/zinc/12/02/08/385120208.db2.gz QFMKQGLEZFPKSW-WDEREUQCSA-N 1 3 241.335 -0.377 20 0 BBADHO [NH3+]CCOCC(=O)NCc1ccc2c(c1)CNC2 ZINC000646990658 385126706 /nfs/dbraw/zinc/12/67/06/385126706.db2.gz WCFLPVTZCYFUTK-UHFFFAOYSA-N 1 3 249.314 -0.119 20 0 BBADHO CC1([NH3+])CCN(C(=O)CCOC2CNC2)CC1 ZINC000646991546 385125246 /nfs/dbraw/zinc/12/52/46/385125246.db2.gz FAHHUQJEZGHWKC-UHFFFAOYSA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@H]2CNCCO2)C1 ZINC000646998085 385128929 /nfs/dbraw/zinc/12/89/29/385128929.db2.gz IPTJBDVVFJSMBW-MXWKQRLJSA-N 1 3 241.335 -0.249 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@H]2CNCCO2)C1 ZINC000646998086 385129466 /nfs/dbraw/zinc/12/94/66/385129466.db2.gz IPTJBDVVFJSMBW-VWYCJHECSA-N 1 3 241.335 -0.249 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOC2CNC2)C1 ZINC000646998165 385130858 /nfs/dbraw/zinc/13/08/58/385130858.db2.gz SLSOHTHSMLJOIV-NXEZZACHSA-N 1 3 241.335 -0.249 20 0 BBADHO [NH3+][C@H]1CCC[C@H](NC(=O)CCOC2CNC2)C1 ZINC000646998166 385132556 /nfs/dbraw/zinc/13/25/56/385132556.db2.gz SLSOHTHSMLJOIV-UWVGGRQHSA-N 1 3 241.335 -0.249 20 0 BBADHO [NH3+][C@H]1CCC[C@@H](NC(=O)CCOC2CNC2)C1 ZINC000646998167 385130972 /nfs/dbraw/zinc/13/09/72/385130972.db2.gz SLSOHTHSMLJOIV-VHSXEESVSA-N 1 3 241.335 -0.249 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)CCOC2CNC2)C1 ZINC000646998168 385131191 /nfs/dbraw/zinc/13/11/91/385131191.db2.gz SLSOHTHSMLJOIV-ZJUUUORDSA-N 1 3 241.335 -0.249 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(N)C(F)(F)F ZINC000647000885 385134939 /nfs/dbraw/zinc/13/49/39/385134939.db2.gz XJUIFFCUGBMJEC-DSYKOEDSSA-N 1 3 239.241 -0.010 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000647000886 385135024 /nfs/dbraw/zinc/13/50/24/385135024.db2.gz XJUIFFCUGBMJEC-FSDSQADBSA-N 1 3 239.241 -0.010 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000647000887 385134230 /nfs/dbraw/zinc/13/42/30/385134230.db2.gz XJUIFFCUGBMJEC-QYNIQEEDSA-N 1 3 239.241 -0.010 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(N)C(F)(F)F ZINC000647000888 385134556 /nfs/dbraw/zinc/13/45/56/385134556.db2.gz XJUIFFCUGBMJEC-VQVTYTSYSA-N 1 3 239.241 -0.010 20 0 BBADHO CC[C@@H]1CN(C(=O)CNCCOC)CC[C@H]1[NH3+] ZINC000647015566 385139904 /nfs/dbraw/zinc/13/99/04/385139904.db2.gz URWDZLPEQZMOQS-GHMZBOCLSA-N 1 3 243.351 -0.192 20 0 BBADHO CC[C@@H]1CN(C(=O)CNCCOC)CC[C@@H]1[NH3+] ZINC000647015567 385141686 /nfs/dbraw/zinc/14/16/86/385141686.db2.gz URWDZLPEQZMOQS-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO CC[C@H]1CN(C(=O)CNCCOC)CC[C@@H]1[NH3+] ZINC000647015568 385140695 /nfs/dbraw/zinc/14/06/95/385140695.db2.gz URWDZLPEQZMOQS-QWRGUYRKSA-N 1 3 243.351 -0.192 20 0 BBADHO CC[C@H]1CN(C(=O)CNCCOC)CC[C@H]1[NH3+] ZINC000647015569 385139676 /nfs/dbraw/zinc/13/96/76/385139676.db2.gz URWDZLPEQZMOQS-WDEREUQCSA-N 1 3 243.351 -0.192 20 0 BBADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H](C)[NH3+])C1(C)C ZINC000647023035 385155702 /nfs/dbraw/zinc/15/57/02/385155702.db2.gz MSJNNMBKVBORCA-KBVBSXBZSA-N 1 3 243.351 -0.018 20 0 BBADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H](C)[NH3+])C1(C)C ZINC000647023036 385155656 /nfs/dbraw/zinc/15/56/56/385155656.db2.gz MSJNNMBKVBORCA-LNLATYFQSA-N 1 3 243.351 -0.018 20 0 BBADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H](C)[NH3+])C1(C)C ZINC000647023037 385155943 /nfs/dbraw/zinc/15/59/43/385155943.db2.gz MSJNNMBKVBORCA-SBMIAAHKSA-N 1 3 243.351 -0.018 20 0 BBADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H](C)[NH3+])C1(C)C ZINC000647023038 385155113 /nfs/dbraw/zinc/15/51/13/385155113.db2.gz MSJNNMBKVBORCA-YGOYTEALSA-N 1 3 243.351 -0.018 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025777 385160223 /nfs/dbraw/zinc/16/02/23/385160223.db2.gz PBSNYTJVSUCRNH-AEJSXWLSSA-N 1 3 223.320 -0.338 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025778 385160187 /nfs/dbraw/zinc/16/01/87/385160187.db2.gz PBSNYTJVSUCRNH-KXUCPTDWSA-N 1 3 223.320 -0.338 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNC1CC1 ZINC000647033694 385170941 /nfs/dbraw/zinc/17/09/41/385170941.db2.gz VEISZRRUYVNWFH-WPRPVWTQSA-N 1 3 229.299 -0.103 20 0 BBADHO COCCNCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054953 385201480 /nfs/dbraw/zinc/20/14/80/385201480.db2.gz FDBFNPQAKXAJNW-JTQLQIEISA-N 1 3 241.335 -0.519 20 0 BBADHO COCCNCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054954 385200332 /nfs/dbraw/zinc/20/03/32/385200332.db2.gz FDBFNPQAKXAJNW-SNVBAGLBSA-N 1 3 241.335 -0.519 20 0 BBADHO NC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC1 ZINC000647057939 385200832 /nfs/dbraw/zinc/20/08/32/385200832.db2.gz COFXPVHEWDMRLO-YUMQZZPRSA-N 1 3 215.272 -0.316 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058007 385198215 /nfs/dbraw/zinc/19/82/15/385198215.db2.gz HUOZMNMBQPYCCI-AATLWQCWSA-N 1 3 229.299 -0.199 20 0 BBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058008 385198401 /nfs/dbraw/zinc/19/84/01/385198401.db2.gz HUOZMNMBQPYCCI-KATARQTJSA-N 1 3 229.299 -0.199 20 0 BBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058009 385197524 /nfs/dbraw/zinc/19/75/24/385197524.db2.gz HUOZMNMBQPYCCI-XFWSIPNHSA-N 1 3 229.299 -0.199 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058010 385197488 /nfs/dbraw/zinc/19/74/88/385197488.db2.gz HUOZMNMBQPYCCI-XKNYDFJKSA-N 1 3 229.299 -0.199 20 0 BBADHO N[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CCC1 ZINC000647058064 385198825 /nfs/dbraw/zinc/19/88/25/385198825.db2.gz LKGXWBASCCSJPB-GUBZILKMSA-N 1 3 229.299 -0.070 20 0 BBADHO N[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CCC1 ZINC000647058065 385197818 /nfs/dbraw/zinc/19/78/18/385197818.db2.gz LKGXWBASCCSJPB-LPEHRKFASA-N 1 3 229.299 -0.070 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058161 385204532 /nfs/dbraw/zinc/20/45/32/385204532.db2.gz QXIGJEWHLHHHQS-CIUDSAMLSA-N 1 3 233.287 -0.834 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058162 385202707 /nfs/dbraw/zinc/20/27/07/385202707.db2.gz QXIGJEWHLHHHQS-XHNCKOQMSA-N 1 3 233.287 -0.834 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000647058169 385203313 /nfs/dbraw/zinc/20/33/13/385203313.db2.gz RKBOLKYJMWAGBT-GMOBBJLQSA-N 1 3 241.310 -0.198 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000647058170 385204623 /nfs/dbraw/zinc/20/46/23/385204623.db2.gz RKBOLKYJMWAGBT-GUDRVLHUSA-N 1 3 241.310 -0.198 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000647058171 385204191 /nfs/dbraw/zinc/20/41/91/385204191.db2.gz RKBOLKYJMWAGBT-QFOLPQNPSA-N 1 3 241.310 -0.198 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000647058172 385204275 /nfs/dbraw/zinc/20/42/75/385204275.db2.gz RKBOLKYJMWAGBT-UXCLJVHYSA-N 1 3 241.310 -0.198 20 0 BBADHO NC(C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C(F)(F)F ZINC000647058173 385202629 /nfs/dbraw/zinc/20/26/29/385202629.db2.gz RMKCOPFULDQWNL-HCWXCVPCSA-N 1 3 243.204 -0.308 20 0 BBADHO NC(C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C(F)(F)F ZINC000647058174 385204667 /nfs/dbraw/zinc/20/46/67/385204667.db2.gz RMKCOPFULDQWNL-ZLUOBGJFSA-N 1 3 243.204 -0.308 20 0 BBADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058184 385204453 /nfs/dbraw/zinc/20/44/53/385204453.db2.gz SEYFRXDCHLQKMT-ACZMJKKPSA-N 1 3 239.241 -0.215 20 0 BBADHO N[C@H](CC(F)F)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058185 385202896 /nfs/dbraw/zinc/20/28/96/385202896.db2.gz SEYFRXDCHLQKMT-LYFYHCNISA-N 1 3 239.241 -0.215 20 0 BBADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)CN1 ZINC000647058192 385204130 /nfs/dbraw/zinc/20/41/30/385204130.db2.gz UOKVUGXMNOMDIM-GUBZILKMSA-N 1 3 229.299 -0.198 20 0 BBADHO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)CN1 ZINC000647058193 385204759 /nfs/dbraw/zinc/20/47/59/385204759.db2.gz UOKVUGXMNOMDIM-UTLUCORTSA-N 1 3 229.299 -0.198 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)C1CC[NH2+]CC1 ZINC000647058365 385202529 /nfs/dbraw/zinc/20/25/29/385202529.db2.gz DGLPARLNAYYCKU-UWVGGRQHSA-N 1 3 229.299 -0.198 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)CCOC1CNC1 ZINC000647068953 385214815 /nfs/dbraw/zinc/21/48/15/385214815.db2.gz AMXJYKDNZXFMFD-MRVPVSSYSA-N 1 3 215.297 -0.782 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)CCOC1CNC1 ZINC000647068954 385215959 /nfs/dbraw/zinc/21/59/59/385215959.db2.gz AMXJYKDNZXFMFD-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO CC[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647072002 385217307 /nfs/dbraw/zinc/21/73/07/385217307.db2.gz IMJMFZXOLGITQY-NTSWFWBYSA-N 1 3 209.240 -0.178 20 0 BBADHO CC[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647072003 385218143 /nfs/dbraw/zinc/21/81/43/385218143.db2.gz IMJMFZXOLGITQY-WDSKDSINSA-N 1 3 209.240 -0.178 20 0 BBADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647081535 385241132 /nfs/dbraw/zinc/24/11/32/385241132.db2.gz STHCALBBDNKYKA-GHMZBOCLSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)C[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647081536 385240180 /nfs/dbraw/zinc/24/01/80/385240180.db2.gz STHCALBBDNKYKA-MNOVXSKESA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647081537 385240858 /nfs/dbraw/zinc/24/08/58/385240858.db2.gz STHCALBBDNKYKA-QWRGUYRKSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647081538 385240338 /nfs/dbraw/zinc/24/03/38/385240338.db2.gz STHCALBBDNKYKA-WDEREUQCSA-N 1 3 243.351 -0.146 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082654 385244271 /nfs/dbraw/zinc/24/42/71/385244271.db2.gz UWUALKNDAOVELF-NXEZZACHSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082655 385244156 /nfs/dbraw/zinc/24/41/56/385244156.db2.gz UWUALKNDAOVELF-UWVGGRQHSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082656 385243751 /nfs/dbraw/zinc/24/37/51/385243751.db2.gz UWUALKNDAOVELF-VHSXEESVSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082657 385244129 /nfs/dbraw/zinc/24/41/29/385244129.db2.gz UWUALKNDAOVELF-ZJUUUORDSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(C)CN(C(=O)COCC[NH3+])CCN1 ZINC000647084143 385245716 /nfs/dbraw/zinc/24/57/16/385245716.db2.gz RQIPIDBMSUKCRY-UHFFFAOYSA-N 1 3 215.297 -0.828 20 0 BBADHO CN(C(=O)C[C@@H]1CNCCO1)[C@H](C[NH3+])C1CC1 ZINC000647085546 385249701 /nfs/dbraw/zinc/24/97/01/385249701.db2.gz PLJNKGQMACCXST-GHMZBOCLSA-N 1 3 241.335 -0.439 20 0 BBADHO CN(C(=O)C[C@@H]1CNCCO1)[C@@H](C[NH3+])C1CC1 ZINC000647085547 385249801 /nfs/dbraw/zinc/24/98/01/385249801.db2.gz PLJNKGQMACCXST-MNOVXSKESA-N 1 3 241.335 -0.439 20 0 BBADHO CN(C(=O)C[C@H]1CNCCO1)[C@@H](C[NH3+])C1CC1 ZINC000647085548 385250262 /nfs/dbraw/zinc/25/02/62/385250262.db2.gz PLJNKGQMACCXST-QWRGUYRKSA-N 1 3 241.335 -0.439 20 0 BBADHO CN(C(=O)C[C@H]1CNCCO1)[C@H](C[NH3+])C1CC1 ZINC000647085549 385249718 /nfs/dbraw/zinc/24/97/18/385249718.db2.gz PLJNKGQMACCXST-WDEREUQCSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(N)C(F)(F)F ZINC000647086080 385249863 /nfs/dbraw/zinc/24/98/63/385249863.db2.gz SYKVPPUTLWISQT-HCWXCVPCSA-N 1 3 225.214 -0.176 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(N)C(F)(F)F ZINC000647086081 385250149 /nfs/dbraw/zinc/25/01/49/385250149.db2.gz SYKVPPUTLWISQT-ZLUOBGJFSA-N 1 3 225.214 -0.176 20 0 BBADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC000647086388 385249216 /nfs/dbraw/zinc/24/92/16/385249216.db2.gz AUYIOUNYXOGUFI-GXSJLCMTSA-N 1 3 229.324 -0.392 20 0 BBADHO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CNCCO1 ZINC000647086389 385248555 /nfs/dbraw/zinc/24/85/55/385248555.db2.gz AUYIOUNYXOGUFI-KOLCDFICSA-N 1 3 229.324 -0.392 20 0 BBADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CNCCO1 ZINC000647086390 385248906 /nfs/dbraw/zinc/24/89/06/385248906.db2.gz AUYIOUNYXOGUFI-MWLCHTKSSA-N 1 3 229.324 -0.392 20 0 BBADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC000647086391 385248183 /nfs/dbraw/zinc/24/81/83/385248183.db2.gz AUYIOUNYXOGUFI-ONGXEEELSA-N 1 3 229.324 -0.392 20 0 BBADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CNCCO1 ZINC000647086481 385249653 /nfs/dbraw/zinc/24/96/53/385249653.db2.gz QVWWSSWUFOINHH-QWRGUYRKSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CNCCO1 ZINC000647086482 385249320 /nfs/dbraw/zinc/24/93/20/385249320.db2.gz QVWWSSWUFOINHH-WDEREUQCSA-N 1 3 241.335 -0.377 20 0 BBADHO CC(C)([NH3+])CC(=O)NC[C@H]1CNCCO1 ZINC000647086572 385248644 /nfs/dbraw/zinc/24/86/44/385248644.db2.gz GHWOEGKVDGREMD-MRVPVSSYSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)([NH3+])CC(=O)NC[C@@H]1CNCCO1 ZINC000647086573 385248897 /nfs/dbraw/zinc/24/88/97/385248897.db2.gz GHWOEGKVDGREMD-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1CNCCO1 ZINC000647086594 385248283 /nfs/dbraw/zinc/24/82/83/385248283.db2.gz IFRUZWWIIZRDRN-JTQLQIEISA-N 1 3 229.324 -0.521 20 0 BBADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CNCCO1 ZINC000647086595 385249189 /nfs/dbraw/zinc/24/91/89/385249189.db2.gz IFRUZWWIIZRDRN-SNVBAGLBSA-N 1 3 229.324 -0.521 20 0 BBADHO [NH3+]C1(CC(=O)NC[C@H]2CNCCO2)CCC1 ZINC000647086630 385252028 /nfs/dbraw/zinc/25/20/28/385252028.db2.gz NQYJZGYPLJMXKW-SECBINFHSA-N 1 3 227.308 -0.638 20 0 BBADHO [NH3+]C1(CC(=O)NC[C@@H]2CNCCO2)CCC1 ZINC000647086631 385251467 /nfs/dbraw/zinc/25/14/67/385251467.db2.gz NQYJZGYPLJMXKW-VIFPVBQESA-N 1 3 227.308 -0.638 20 0 BBADHO CCC[NH2+][C@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000647086686 385251205 /nfs/dbraw/zinc/25/12/05/385251205.db2.gz WUXYOCRROJXVLW-NXEZZACHSA-N 1 3 229.324 -0.521 20 0 BBADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000647086687 385251457 /nfs/dbraw/zinc/25/14/57/385251457.db2.gz WUXYOCRROJXVLW-UWVGGRQHSA-N 1 3 229.324 -0.521 20 0 BBADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000647086688 385251560 /nfs/dbraw/zinc/25/15/60/385251560.db2.gz WUXYOCRROJXVLW-VHSXEESVSA-N 1 3 229.324 -0.521 20 0 BBADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000647086689 385251393 /nfs/dbraw/zinc/25/13/93/385251393.db2.gz WUXYOCRROJXVLW-ZJUUUORDSA-N 1 3 229.324 -0.521 20 0 BBADHO COCCNCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000647086855 385251475 /nfs/dbraw/zinc/25/14/75/385251475.db2.gz OMWXCSXLCWLMPN-GHMZBOCLSA-N 1 3 243.351 -0.334 20 0 BBADHO COCCNCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000647086856 385251944 /nfs/dbraw/zinc/25/19/44/385251944.db2.gz OMWXCSXLCWLMPN-MNOVXSKESA-N 1 3 243.351 -0.334 20 0 BBADHO COCCNCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000647086857 385251544 /nfs/dbraw/zinc/25/15/44/385251544.db2.gz OMWXCSXLCWLMPN-QWRGUYRKSA-N 1 3 243.351 -0.334 20 0 BBADHO COCCNCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000647086858 385251981 /nfs/dbraw/zinc/25/19/81/385251981.db2.gz OMWXCSXLCWLMPN-WDEREUQCSA-N 1 3 243.351 -0.334 20 0 BBADHO CC(C)C[C@@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647088904 385253528 /nfs/dbraw/zinc/25/35/28/385253528.db2.gz ZZAMVYJSRCZTST-GHMZBOCLSA-N 1 3 243.351 -0.064 20 0 BBADHO CC(C)C[C@@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647088905 385254166 /nfs/dbraw/zinc/25/41/66/385254166.db2.gz ZZAMVYJSRCZTST-WDEREUQCSA-N 1 3 243.351 -0.064 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647089350 385256337 /nfs/dbraw/zinc/25/63/37/385256337.db2.gz DPDBZNXVBJLMIT-NXEZZACHSA-N 1 3 229.324 -0.454 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647089351 385257153 /nfs/dbraw/zinc/25/71/53/385257153.db2.gz DPDBZNXVBJLMIT-VHSXEESVSA-N 1 3 229.324 -0.454 20 0 BBADHO CC1(OCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CNC1 ZINC000647113710 384206338 /nfs/dbraw/zinc/20/63/38/384206338.db2.gz ZZFOQBAMNHQKRY-AOOOYVTPSA-N 1 3 239.319 -0.957 20 0 BBADHO C[C@@H]1C[C@@H](NC[C@]2(O)CC[N@@H+](C)C2)CO1 ZINC000647202044 384900815 /nfs/dbraw/zinc/90/08/15/384900815.db2.gz KFQCYRRHLUOFRG-GMTAPVOTSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H]1C[C@@H](NC[C@]2(O)CC[N@H+](C)C2)CO1 ZINC000647202044 384900812 /nfs/dbraw/zinc/90/08/12/384900812.db2.gz KFQCYRRHLUOFRG-GMTAPVOTSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@@H+](C)C2)CO1 ZINC000647202045 384901918 /nfs/dbraw/zinc/90/19/18/384901918.db2.gz KFQCYRRHLUOFRG-MXWKQRLJSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@H+](C)C2)CO1 ZINC000647202045 384901913 /nfs/dbraw/zinc/90/19/13/384901913.db2.gz KFQCYRRHLUOFRG-MXWKQRLJSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H]1C[C@H](NC[C@]2(O)CC[N@@H+](C)C2)CO1 ZINC000647202046 384902417 /nfs/dbraw/zinc/90/24/17/384902417.db2.gz KFQCYRRHLUOFRG-OUAUKWLOSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H]1C[C@H](NC[C@]2(O)CC[N@H+](C)C2)CO1 ZINC000647202046 384902413 /nfs/dbraw/zinc/90/24/13/384902413.db2.gz KFQCYRRHLUOFRG-OUAUKWLOSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H]1C[C@H](NC[C@@]2(O)CC[N@@H+](C)C2)CO1 ZINC000647202047 384902906 /nfs/dbraw/zinc/90/29/06/384902906.db2.gz KFQCYRRHLUOFRG-VWYCJHECSA-N 1 3 214.309 -0.180 20 0 BBADHO C[C@@H]1C[C@H](NC[C@@]2(O)CC[N@H+](C)C2)CO1 ZINC000647202047 384902899 /nfs/dbraw/zinc/90/28/99/384902899.db2.gz KFQCYRRHLUOFRG-VWYCJHECSA-N 1 3 214.309 -0.180 20 0 BBADHO Cn1ccnc1[C@@H]1CNCCN1CCC[NH3+] ZINC000647539513 384679387 /nfs/dbraw/zinc/67/93/87/384679387.db2.gz KCDBSJYFEZLZSU-JTQLQIEISA-N 1 3 223.324 -0.285 20 0 BBADHO Cn1ccnc1[C@H]1CNCCN1CCC[NH3+] ZINC000647539514 384679909 /nfs/dbraw/zinc/67/99/09/384679909.db2.gz KCDBSJYFEZLZSU-SNVBAGLBSA-N 1 3 223.324 -0.285 20 0 BBADHO CN(C[C@@H]1CCCN(C(=O)CN)C1)C1C[NH2+]C1 ZINC000647542024 384702742 /nfs/dbraw/zinc/70/27/42/384702742.db2.gz CHTFQRQHIFILSR-JTQLQIEISA-N 1 3 240.351 -0.913 20 0 BBADHO CN(C[C@H]1CCCN(C(=O)CN)C1)C1C[NH2+]C1 ZINC000647542025 384703719 /nfs/dbraw/zinc/70/37/19/384703719.db2.gz CHTFQRQHIFILSR-SNVBAGLBSA-N 1 3 240.351 -0.913 20 0 BBADHO Nc1ccc(CNCCN2CC[NH2+]CC2)cn1 ZINC000647546810 411958880 /nfs/dbraw/zinc/95/88/80/411958880.db2.gz CLDGJIUOTKVNIJ-UHFFFAOYSA-N 1 3 235.335 -0.341 20 0 BBADHO COCCNCCN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000647546929 384732909 /nfs/dbraw/zinc/73/29/09/384732909.db2.gz HSHGYRJYVLHOLN-GHMZBOCLSA-N 1 3 215.341 -0.190 20 0 BBADHO COCCNCCN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647546930 384733885 /nfs/dbraw/zinc/73/38/85/384733885.db2.gz HSHGYRJYVLHOLN-MNOVXSKESA-N 1 3 215.341 -0.190 20 0 BBADHO COCCNCCN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546931 384732660 /nfs/dbraw/zinc/73/26/60/384732660.db2.gz HSHGYRJYVLHOLN-QWRGUYRKSA-N 1 3 215.341 -0.190 20 0 BBADHO COCCNCCN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546932 384733050 /nfs/dbraw/zinc/73/30/50/384733050.db2.gz HSHGYRJYVLHOLN-WDEREUQCSA-N 1 3 215.341 -0.190 20 0 BBADHO COCCNCCN[C@H]1CCC[NH2+]C1 ZINC000647547038 384736836 /nfs/dbraw/zinc/73/68/36/384736836.db2.gz LUOKRJKHIKNHKU-JTQLQIEISA-N 1 3 201.314 -0.436 20 0 BBADHO COCCNCCN[C@@H]1CCC[NH2+]C1 ZINC000647547039 384735904 /nfs/dbraw/zinc/73/59/04/384735904.db2.gz LUOKRJKHIKNHKU-SNVBAGLBSA-N 1 3 201.314 -0.436 20 0 BBADHO CN1CCNC[C@@H]1CNC[C@@]1(C)CC[NH2+]C1 ZINC000647547102 384737545 /nfs/dbraw/zinc/73/75/45/384737545.db2.gz NWQUKPKBYYHVQX-NEPJUHHUSA-N 1 3 226.368 -0.521 20 0 BBADHO CN1CCNC[C@H]1CNC[C@]1(C)CC[NH2+]C1 ZINC000647547103 384738111 /nfs/dbraw/zinc/73/81/11/384738111.db2.gz NWQUKPKBYYHVQX-NWDGAFQWSA-N 1 3 226.368 -0.521 20 0 BBADHO CN1CCNC[C@H]1CNC[C@@]1(C)CC[NH2+]C1 ZINC000647547104 384737927 /nfs/dbraw/zinc/73/79/27/384737927.db2.gz NWQUKPKBYYHVQX-RYUDHWBXSA-N 1 3 226.368 -0.521 20 0 BBADHO CN1CCNC[C@@H]1CNC[C@]1(C)CC[NH2+]C1 ZINC000647547105 384735656 /nfs/dbraw/zinc/73/56/56/384735656.db2.gz NWQUKPKBYYHVQX-VXGBXAGGSA-N 1 3 226.368 -0.521 20 0 BBADHO CN1CCNC[C@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000647547570 384740952 /nfs/dbraw/zinc/74/09/52/384740952.db2.gz ZNGWLOMHINCXCR-NEPJUHHUSA-N 1 3 226.368 -0.521 20 0 BBADHO CN1CCNC[C@@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000647547571 384740723 /nfs/dbraw/zinc/74/07/23/384740723.db2.gz ZNGWLOMHINCXCR-NWDGAFQWSA-N 1 3 226.368 -0.521 20 0 BBADHO CN1CCNC[C@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000647547572 384741247 /nfs/dbraw/zinc/74/12/47/384741247.db2.gz ZNGWLOMHINCXCR-RYUDHWBXSA-N 1 3 226.368 -0.521 20 0 BBADHO CN1CCNC[C@@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000647547573 384739802 /nfs/dbraw/zinc/73/98/02/384739802.db2.gz ZNGWLOMHINCXCR-VXGBXAGGSA-N 1 3 226.368 -0.521 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2CNCCO2)C1 ZINC000647551887 384754404 /nfs/dbraw/zinc/75/44/04/384754404.db2.gz UUBUHJIDLGVZBR-AXFHLTTASA-N 1 3 213.325 -0.438 20 0 BBADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2CNCCO2)C1 ZINC000647551888 384755070 /nfs/dbraw/zinc/75/50/70/384755070.db2.gz UUBUHJIDLGVZBR-DCAQKATOSA-N 1 3 213.325 -0.438 20 0 BBADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2CNCCO2)C1 ZINC000647551889 384755108 /nfs/dbraw/zinc/75/51/08/384755108.db2.gz UUBUHJIDLGVZBR-GARJFASQSA-N 1 3 213.325 -0.438 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H](NC[C@H]2CNCCO2)C1 ZINC000647551890 384753768 /nfs/dbraw/zinc/75/37/68/384753768.db2.gz UUBUHJIDLGVZBR-HBNTYKKESA-N 1 3 213.325 -0.438 20 0 BBADHO CC1(OCC(=O)N2CCC[C@@H]([NH3+])C2)CNC1 ZINC000647603415 384921294 /nfs/dbraw/zinc/92/12/94/384921294.db2.gz XWZZBHSJGYOZAX-SECBINFHSA-N 1 3 227.308 -0.685 20 0 BBADHO CC1(OCC(=O)NC2CC[NH2+]CC2)CNC1 ZINC000647605513 384926457 /nfs/dbraw/zinc/92/64/57/384926457.db2.gz OBIRAAGWLLFAJY-UHFFFAOYSA-N 1 3 227.308 -0.767 20 0 BBADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000647611141 384951803 /nfs/dbraw/zinc/95/18/03/384951803.db2.gz JCBJQXAIVCNVGJ-HTQZYQBOSA-N 1 3 233.262 -0.209 20 0 BBADHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000647611142 384952538 /nfs/dbraw/zinc/95/25/38/384952538.db2.gz JCBJQXAIVCNVGJ-SFYZADRCSA-N 1 3 233.262 -0.209 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000647613668 384955253 /nfs/dbraw/zinc/95/52/53/384955253.db2.gz FVBQAXXCCOLQTK-SECBINFHSA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000647613669 384955696 /nfs/dbraw/zinc/95/56/96/384955696.db2.gz FVBQAXXCCOLQTK-VIFPVBQESA-N 1 3 227.308 -0.815 20 0 BBADHO COc1ccccc1[C@H](N)CNC(=O)C[NH3+] ZINC000647632217 385005201 /nfs/dbraw/zinc/00/52/01/385005201.db2.gz OGNPOGLKGVWVPG-SECBINFHSA-N 1 3 223.276 -0.230 20 0 BBADHO COc1ccccc1[C@@H](N)CNC(=O)C[NH3+] ZINC000647632218 385005835 /nfs/dbraw/zinc/00/58/35/385005835.db2.gz OGNPOGLKGVWVPG-VIFPVBQESA-N 1 3 223.276 -0.230 20 0 BBADHO CC1(OCC(=O)N2CCC(C[NH3+])CC2)CNC1 ZINC000647638875 385051661 /nfs/dbraw/zinc/05/16/61/385051661.db2.gz QKEAVJSVIWXNBE-UHFFFAOYSA-N 1 3 241.335 -0.438 20 0 BBADHO CC1(OCC(=O)N[C@@H]2CCC[NH2+]C2)CNC1 ZINC000647640675 385068833 /nfs/dbraw/zinc/06/88/33/385068833.db2.gz YDNWWNFFUORERK-SECBINFHSA-N 1 3 227.308 -0.767 20 0 BBADHO CC1(OCC(=O)N[C@H]2CCC[NH2+]C2)CNC1 ZINC000647640676 385070362 /nfs/dbraw/zinc/07/03/62/385070362.db2.gz YDNWWNFFUORERK-VIFPVBQESA-N 1 3 227.308 -0.767 20 0 BBADHO CC1(OCC(=O)NCC2CC[NH2+]CC2)CNC1 ZINC000647642557 385119556 /nfs/dbraw/zinc/11/95/56/385119556.db2.gz WNDUEMCQZCBVOU-UHFFFAOYSA-N 1 3 241.335 -0.519 20 0 BBADHO C[NH2+]CCCNC(=O)[C@H]1CNCCC1(F)F ZINC000647646958 385222020 /nfs/dbraw/zinc/22/20/20/385222020.db2.gz WHYVPRYSCKIGMC-MRVPVSSYSA-N 1 3 235.278 -0.043 20 0 BBADHO C[NH2+]CCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000647646959 385222303 /nfs/dbraw/zinc/22/23/03/385222303.db2.gz WHYVPRYSCKIGMC-QMMMGPOBSA-N 1 3 235.278 -0.043 20 0 BBADHO CC[NH2+]CCCNC(=O)COC1(C)CNC1 ZINC000647669271 385520037 /nfs/dbraw/zinc/52/00/37/385520037.db2.gz NGRKGWKCYLTIIF-UHFFFAOYSA-N 1 3 229.324 -0.519 20 0 BBADHO CN(C(=O)COC1(C)CNC1)C1CC[NH2+]CC1 ZINC000647673442 384787343 /nfs/dbraw/zinc/78/73/43/384787343.db2.gz LHYYNOXOAIWAKJ-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO CC1(OCC(=O)NC[C@H]2CCC[NH2+]C2)CNC1 ZINC000647697481 411128549 /nfs/dbraw/zinc/12/85/49/411128549.db2.gz MFRDCNPUCSLVCC-JTQLQIEISA-N 1 3 241.335 -0.519 20 0 BBADHO CC1(OCC(=O)NC[C@@H]2CCC[NH2+]C2)CNC1 ZINC000647697482 411128400 /nfs/dbraw/zinc/12/84/00/411128400.db2.gz MFRDCNPUCSLVCC-SNVBAGLBSA-N 1 3 241.335 -0.519 20 0 BBADHO CC1(OCC(=O)NC[C@@H]2CCCC[NH2+]2)CNC1 ZINC000647704682 397954044 /nfs/dbraw/zinc/95/40/44/397954044.db2.gz FJZKPZWBXAVWPF-JTQLQIEISA-N 1 3 241.335 -0.377 20 0 BBADHO CC1(OCC(=O)NC[C@H]2CCCC[NH2+]2)CNC1 ZINC000647704683 397954066 /nfs/dbraw/zinc/95/40/66/397954066.db2.gz FJZKPZWBXAVWPF-SNVBAGLBSA-N 1 3 241.335 -0.377 20 0 BBADHO [NH3+][C@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000647730690 385839441 /nfs/dbraw/zinc/83/94/41/385839441.db2.gz JCBJQXAIVCNVGJ-JGVFFNPUSA-N 1 3 233.262 -0.209 20 0 BBADHO [NH3+][C@H]1CCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000647730691 385840288 /nfs/dbraw/zinc/84/02/88/385840288.db2.gz JCBJQXAIVCNVGJ-YUMQZZPRSA-N 1 3 233.262 -0.209 20 0 BBADHO CC1(OCC(=O)N2CC[C@H](C[NH3+])C2)CNC1 ZINC000647732569 385863599 /nfs/dbraw/zinc/86/35/99/385863599.db2.gz MRRONDHRLDBDRV-SECBINFHSA-N 1 3 227.308 -0.828 20 0 BBADHO CC1(OCC(=O)N2CC[C@@H](C[NH3+])C2)CNC1 ZINC000647732570 385863685 /nfs/dbraw/zinc/86/36/85/385863685.db2.gz MRRONDHRLDBDRV-VIFPVBQESA-N 1 3 227.308 -0.828 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000647734139 398093209 /nfs/dbraw/zinc/09/32/09/398093209.db2.gz SYOYEFKYWYUNSJ-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000647734141 398093333 /nfs/dbraw/zinc/09/33/33/398093333.db2.gz SYOYEFKYWYUNSJ-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000647742828 385942898 /nfs/dbraw/zinc/94/28/98/385942898.db2.gz NPTYRZVMRXYWCS-UHFFFAOYSA-N 1 3 233.315 -0.182 20 0 BBADHO CC[NH2+]CCNC(=O)[C@H]1CNCCC1(F)F ZINC000647747642 385978966 /nfs/dbraw/zinc/97/89/66/385978966.db2.gz TULLKOJWKVKGIG-MRVPVSSYSA-N 1 3 235.278 -0.043 20 0 BBADHO CC[NH2+]CCNC(=O)[C@@H]1CNCCC1(F)F ZINC000647747643 385977998 /nfs/dbraw/zinc/97/79/98/385977998.db2.gz TULLKOJWKVKGIG-QMMMGPOBSA-N 1 3 235.278 -0.043 20 0 BBADHO CC1(OCC(=O)NC[C@H]2CCC[NH2+]2)CNC1 ZINC000647754564 386111770 /nfs/dbraw/zinc/11/17/70/386111770.db2.gz QUJLTCLYUABBKG-SECBINFHSA-N 1 3 227.308 -0.767 20 0 BBADHO CC1(OCC(=O)NC[C@@H]2CCC[NH2+]2)CNC1 ZINC000647754565 386111986 /nfs/dbraw/zinc/11/19/86/386111986.db2.gz QUJLTCLYUABBKG-VIFPVBQESA-N 1 3 227.308 -0.767 20 0 BBADHO CC1(OCC(=O)NCC[NH2+]C2CC2)CNC1 ZINC000647755737 386156749 /nfs/dbraw/zinc/15/67/49/386156749.db2.gz DFMMGQIXZVKJQJ-UHFFFAOYSA-N 1 3 227.308 -0.767 20 0 BBADHO CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647760052 386457723 /nfs/dbraw/zinc/45/77/23/386457723.db2.gz SNUVNKRPTHOSMM-QWRGUYRKSA-N 1 3 243.351 -0.540 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)COC1(C)CNC1 ZINC000647761834 385761068 /nfs/dbraw/zinc/76/10/68/385761068.db2.gz XSWWQFPWCMHNMW-UHFFFAOYSA-N 1 3 243.351 -0.131 20 0 BBADHO CC1(OCC(=O)NCC[C@@H]2CC[NH2+]C2)CNC1 ZINC000647769345 386016995 /nfs/dbraw/zinc/01/69/95/386016995.db2.gz SXXSOGIIOPNQMJ-JTQLQIEISA-N 1 3 241.335 -0.519 20 0 BBADHO CC1(OCC(=O)NCC[C@H]2CC[NH2+]C2)CNC1 ZINC000647769346 386016901 /nfs/dbraw/zinc/01/69/01/386016901.db2.gz SXXSOGIIOPNQMJ-SNVBAGLBSA-N 1 3 241.335 -0.519 20 0 BBADHO CC(C)[C@@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769686 386096405 /nfs/dbraw/zinc/09/64/05/386096405.db2.gz FHQVSBMSUPMBLJ-LLVKDONJSA-N 1 3 242.367 -0.667 20 0 BBADHO CC(C)[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769687 386097487 /nfs/dbraw/zinc/09/74/87/386097487.db2.gz FHQVSBMSUPMBLJ-NSHDSACASA-N 1 3 242.367 -0.667 20 0 BBADHO CN(CCN1CC[NH2+]CC1)C(=O)C(C)(C)N ZINC000647769983 386120621 /nfs/dbraw/zinc/12/06/21/386120621.db2.gz SBEVGVSTSKMFKT-UHFFFAOYSA-N 1 3 228.340 -0.913 20 0 BBADHO CC[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770067 386128002 /nfs/dbraw/zinc/12/80/02/386128002.db2.gz VOEAFEBISMHVJG-JTQLQIEISA-N 1 3 228.340 -0.913 20 0 BBADHO CN(CCN1CC[NH2+]CC1)C(=O)CNC1CC1 ZINC000647777226 386563186 /nfs/dbraw/zinc/56/31/86/386563186.db2.gz GCJVZPURUWPJME-UHFFFAOYSA-N 1 3 240.351 -0.898 20 0 BBADHO CN(CCN1CC[NH2+]CC1)C(=O)C1(N)CCC1 ZINC000647777456 386564137 /nfs/dbraw/zinc/56/41/37/386564137.db2.gz ROWOMBXTVWVBSC-UHFFFAOYSA-N 1 3 240.351 -0.769 20 0 BBADHO CC[C@@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777659 386563414 /nfs/dbraw/zinc/56/34/14/386563414.db2.gz VOEAFEBISMHVJG-SNVBAGLBSA-N 1 3 228.340 -0.913 20 0 BBADHO C[NH2+]C[C@@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000647779531 386580026 /nfs/dbraw/zinc/58/00/26/386580026.db2.gz TYKITOZXKULDTJ-JTQLQIEISA-N 1 3 241.335 -0.567 20 0 BBADHO C[NH2+]C[C@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000647779532 386580639 /nfs/dbraw/zinc/58/06/39/386580639.db2.gz TYKITOZXKULDTJ-SNVBAGLBSA-N 1 3 241.335 -0.567 20 0 BBADHO CN(C(=O)COC1(C)CNC1)[C@@H]1CC[NH2+]C1 ZINC000647790381 385633408 /nfs/dbraw/zinc/63/34/08/385633408.db2.gz XHENPXAYOHXGAN-SECBINFHSA-N 1 3 227.308 -0.815 20 0 BBADHO CN(C(=O)COC1(C)CNC1)[C@H]1CC[NH2+]C1 ZINC000647790382 385635101 /nfs/dbraw/zinc/63/51/01/385635101.db2.gz XHENPXAYOHXGAN-VIFPVBQESA-N 1 3 227.308 -0.815 20 0 BBADHO C[NH2+]C1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000647796768 398201563 /nfs/dbraw/zinc/20/15/63/398201563.db2.gz MYVVIMFDWIZUDY-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@H](C)N1 ZINC000647805326 385843919 /nfs/dbraw/zinc/84/39/19/385843919.db2.gz RIMNLCYIBSJBLO-AOOOYVTPSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@@H](C)N1 ZINC000647805327 385843563 /nfs/dbraw/zinc/84/35/63/385843563.db2.gz RIMNLCYIBSJBLO-NXEZZACHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@H](C)N1 ZINC000647805328 385843788 /nfs/dbraw/zinc/84/37/88/385843788.db2.gz RIMNLCYIBSJBLO-UWVGGRQHSA-N 1 3 241.335 -0.426 20 0 BBADHO CC1(OCC(=O)NC2(C[NH3+])CCCC2)CNC1 ZINC000647805668 385844537 /nfs/dbraw/zinc/84/45/37/385844537.db2.gz AVXNRUXQSCGRDT-UHFFFAOYSA-N 1 3 241.335 -0.247 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)COC1(C)CNC1 ZINC000647806879 385849095 /nfs/dbraw/zinc/84/90/95/385849095.db2.gz JCZQBSWXZYADJN-UHFFFAOYSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@](C[NH3+])(NC(=O)COC1(C)CNC1)C1CC1 ZINC000647807240 385859220 /nfs/dbraw/zinc/85/92/20/385859220.db2.gz WPOVYGKGMYKXEW-GFCCVEGCSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)COC1(C)CNC1)C1CC1 ZINC000647807241 385858782 /nfs/dbraw/zinc/85/87/82/385858782.db2.gz WPOVYGKGMYKXEW-LBPRGKRZSA-N 1 3 241.335 -0.392 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)COC1(C)CNC1 ZINC000647811301 385862072 /nfs/dbraw/zinc/86/20/72/385862072.db2.gz DQAMAKDRCPAPQZ-JTQLQIEISA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)COC1(C)CNC1 ZINC000647811302 385861936 /nfs/dbraw/zinc/86/19/36/385861936.db2.gz DQAMAKDRCPAPQZ-SNVBAGLBSA-N 1 3 243.351 -0.146 20 0 BBADHO C[C@@H]1CN(C(=O)COC2(C)CNC2)CC[C@H]1[NH3+] ZINC000647816980 385871121 /nfs/dbraw/zinc/87/11/21/385871121.db2.gz TXMHHFVWCWCMLQ-NXEZZACHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]1CN(C(=O)COC2(C)CNC2)CC[C@@H]1[NH3+] ZINC000647816981 385870738 /nfs/dbraw/zinc/87/07/38/385870738.db2.gz TXMHHFVWCWCMLQ-UWVGGRQHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]1CN(C(=O)COC2(C)CNC2)CC[C@H]1[NH3+] ZINC000647816982 385871306 /nfs/dbraw/zinc/87/13/06/385871306.db2.gz TXMHHFVWCWCMLQ-VHSXEESVSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]1CN(C(=O)COC2(C)CNC2)CC[C@@H]1[NH3+] ZINC000647816983 385870629 /nfs/dbraw/zinc/87/06/29/385870629.db2.gz TXMHHFVWCWCMLQ-ZJUUUORDSA-N 1 3 241.335 -0.439 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)COC1(C)CNC1 ZINC000647824978 385866916 /nfs/dbraw/zinc/86/69/16/385866916.db2.gz LQRRBBALWJGUQE-SECBINFHSA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)COC1(C)CNC1 ZINC000647824979 385866259 /nfs/dbraw/zinc/86/62/59/385866259.db2.gz LQRRBBALWJGUQE-VIFPVBQESA-N 1 3 229.324 -0.536 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)COC1(C)CNC1 ZINC000647828202 385876289 /nfs/dbraw/zinc/87/62/89/385876289.db2.gz LXIYCIUQUYMIPA-GFCCVEGCSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)COC1(C)CNC1 ZINC000647828203 385876898 /nfs/dbraw/zinc/87/68/98/385876898.db2.gz LXIYCIUQUYMIPA-LBPRGKRZSA-N 1 3 243.351 -0.146 20 0 BBADHO [NH3+]C[C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000647829780 385878544 /nfs/dbraw/zinc/87/85/44/385878544.db2.gz WIDVIJKXRLDRFA-LLVKDONJSA-N 1 3 240.351 -0.911 20 0 BBADHO [NH3+]C[C@@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000647829781 385878776 /nfs/dbraw/zinc/87/87/76/385878776.db2.gz WIDVIJKXRLDRFA-NSHDSACASA-N 1 3 240.351 -0.911 20 0 BBADHO CC1(OCC(=O)N[C@H](C[NH3+])C2CC2)CNC1 ZINC000647833300 385883039 /nfs/dbraw/zinc/88/30/39/385883039.db2.gz CZNBNNKBANFAHT-SECBINFHSA-N 1 3 227.308 -0.782 20 0 BBADHO CC1(OCC(=O)N[C@@H](C[NH3+])C2CC2)CNC1 ZINC000647833301 385883704 /nfs/dbraw/zinc/88/37/04/385883704.db2.gz CZNBNNKBANFAHT-VIFPVBQESA-N 1 3 227.308 -0.782 20 0 BBADHO CC1(C)CNCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000647840048 385886586 /nfs/dbraw/zinc/88/65/86/385886586.db2.gz PQLIVUFOZCABPS-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CC1(C)CNCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000647840049 385887653 /nfs/dbraw/zinc/88/76/53/385887653.db2.gz PQLIVUFOZCABPS-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CC1(OCC(=O)N2CCNCC2(C)C)C[NH2+]C1 ZINC000647841230 385890198 /nfs/dbraw/zinc/89/01/98/385890198.db2.gz AGAOGRRETPKTMF-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO CC1(C)CNCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647841355 385889749 /nfs/dbraw/zinc/88/97/49/385889749.db2.gz MTACMSVJFQRJCR-DTORHVGOSA-N 1 3 211.309 -0.066 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCNCC1(C)C ZINC000647841400 385890072 /nfs/dbraw/zinc/89/00/72/385890072.db2.gz QLDFPUXESSHDQU-SECBINFHSA-N 1 3 229.324 -0.439 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCNCC1(C)C ZINC000647841401 385890010 /nfs/dbraw/zinc/89/00/10/385890010.db2.gz QLDFPUXESSHDQU-VIFPVBQESA-N 1 3 229.324 -0.439 20 0 BBADHO CC1(C)CNCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647841495 385889576 /nfs/dbraw/zinc/88/95/76/385889576.db2.gz YNZLOQSEHVBEJP-MYJAWHEDSA-N 1 3 223.320 -0.338 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)COC1(C)CNC1 ZINC000647847144 385896158 /nfs/dbraw/zinc/89/61/58/385896158.db2.gz BLTXYJJBPVUGIG-UHFFFAOYSA-N 1 3 243.351 -0.001 20 0 BBADHO CN(CCC[NH3+])CCC(=O)N1CCNCC1 ZINC000647847218 385897549 /nfs/dbraw/zinc/89/75/49/385897549.db2.gz HSZAHQNGWJZEBI-UHFFFAOYSA-N 1 3 228.340 -0.911 20 0 BBADHO CN(CCC[NH3+])CCC(=O)N1CCN(C)CC1 ZINC000647847375 385897108 /nfs/dbraw/zinc/89/71/08/385897108.db2.gz NGAQLRMTBSUFMT-UHFFFAOYSA-N 1 3 242.367 -0.569 20 0 BBADHO CCS(=O)(=O)NCCCN(C)CCC[NH3+] ZINC000647847542 385898229 /nfs/dbraw/zinc/89/82/29/385898229.db2.gz SLGAXHGPIUPMAW-UHFFFAOYSA-N 1 3 237.369 -0.404 20 0 BBADHO CN(CCC[NH3+])CCC(=O)N1CCOCC1 ZINC000647848327 385899497 /nfs/dbraw/zinc/89/94/97/385899497.db2.gz MRNCECOPWAVXGM-UHFFFAOYSA-N 1 3 229.324 -0.484 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)COC1(C)CNC1 ZINC000647858079 385914777 /nfs/dbraw/zinc/91/47/77/385914777.db2.gz MJOOUQRSZKMDOM-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)COC1(C)CNC1 ZINC000647858080 385914458 /nfs/dbraw/zinc/91/44/58/385914458.db2.gz MJOOUQRSZKMDOM-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)COC1(C)CNC1 ZINC000647864410 385967558 /nfs/dbraw/zinc/96/75/58/385967558.db2.gz VXSWHYWISLDJAI-UHFFFAOYSA-N 1 3 243.351 -0.192 20 0 BBADHO CN1CCN(C(=O)CCC(C)(C)[NH3+])[C@@H](CN)C1 ZINC000647872655 386137555 /nfs/dbraw/zinc/13/75/55/386137555.db2.gz OJTYELDTIUBKIW-JTQLQIEISA-N 1 3 242.367 -0.395 20 0 BBADHO CN1CCN(C(=O)CCC(C)(C)[NH3+])[C@H](CN)C1 ZINC000647872656 386138255 /nfs/dbraw/zinc/13/82/55/386138255.db2.gz OJTYELDTIUBKIW-SNVBAGLBSA-N 1 3 242.367 -0.395 20 0 BBADHO CN1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@H](CN)C1 ZINC000647874399 386136299 /nfs/dbraw/zinc/13/62/99/386136299.db2.gz RNPIGQIIGJCGTO-NXEZZACHSA-N 1 3 240.351 -0.914 20 0 BBADHO CN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H](CN)C1 ZINC000647874400 386135546 /nfs/dbraw/zinc/13/55/46/386135546.db2.gz RNPIGQIIGJCGTO-UWVGGRQHSA-N 1 3 240.351 -0.914 20 0 BBADHO CN1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@@H](CN)C1 ZINC000647874401 386135412 /nfs/dbraw/zinc/13/54/12/386135412.db2.gz RNPIGQIIGJCGTO-VHSXEESVSA-N 1 3 240.351 -0.914 20 0 BBADHO CN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H](CN)C1 ZINC000647874402 386134284 /nfs/dbraw/zinc/13/42/84/386134284.db2.gz RNPIGQIIGJCGTO-ZJUUUORDSA-N 1 3 240.351 -0.914 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCCCN2)CCO1 ZINC000647874830 386143239 /nfs/dbraw/zinc/14/32/39/386143239.db2.gz BYDCOLICBZLHHG-AXFHLTTASA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCCCN2)CCO1 ZINC000647874831 386143222 /nfs/dbraw/zinc/14/32/22/386143222.db2.gz BYDCOLICBZLHHG-GMTAPVOTSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCCCN2)CCO1 ZINC000647874832 386144161 /nfs/dbraw/zinc/14/41/61/386144161.db2.gz BYDCOLICBZLHHG-HBNTYKKESA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCCCN2)CCO1 ZINC000647874833 386143431 /nfs/dbraw/zinc/14/34/31/386143431.db2.gz BYDCOLICBZLHHG-MXWKQRLJSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(N)CCCC2)CCO1 ZINC000647874932 386143456 /nfs/dbraw/zinc/14/34/56/386143456.db2.gz KXVBDZTXYFBDQS-NXEZZACHSA-N 1 3 241.335 -0.168 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(N)CCCC2)CCO1 ZINC000647874933 386142858 /nfs/dbraw/zinc/14/28/58/386142858.db2.gz KXVBDZTXYFBDQS-UWVGGRQHSA-N 1 3 241.335 -0.168 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C2(N)CCCC2)CCO1 ZINC000647874934 386142622 /nfs/dbraw/zinc/14/26/22/386142622.db2.gz KXVBDZTXYFBDQS-VHSXEESVSA-N 1 3 241.335 -0.168 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(N)CCCC2)CCO1 ZINC000647874935 386142144 /nfs/dbraw/zinc/14/21/44/386142144.db2.gz KXVBDZTXYFBDQS-ZJUUUORDSA-N 1 3 241.335 -0.168 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)COC1(C)CNC1 ZINC000647874937 386144172 /nfs/dbraw/zinc/14/41/72/386144172.db2.gz LGTITCPTEQQVCO-JTQLQIEISA-N 1 3 243.351 -0.001 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)COC1(C)CNC1 ZINC000647874938 386142907 /nfs/dbraw/zinc/14/29/07/386142907.db2.gz LGTITCPTEQQVCO-SNVBAGLBSA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CCO1 ZINC000647875054 386143611 /nfs/dbraw/zinc/14/36/11/386143611.db2.gz TWYSVTWUOQYCSW-IVZWLZJFSA-N 1 3 243.351 -0.066 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CCO1 ZINC000647875055 386143962 /nfs/dbraw/zinc/14/39/62/386143962.db2.gz TWYSVTWUOQYCSW-KXUCPTDWSA-N 1 3 243.351 -0.066 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CCO1 ZINC000647875056 386142189 /nfs/dbraw/zinc/14/21/89/386142189.db2.gz TWYSVTWUOQYCSW-LPEHRKFASA-N 1 3 243.351 -0.066 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CCO1 ZINC000647875057 386143786 /nfs/dbraw/zinc/14/37/86/386143786.db2.gz TWYSVTWUOQYCSW-OPRDCNLKSA-N 1 3 243.351 -0.066 20 0 BBADHO OCCCN(CCN1CC[NH2+]CC1)C1CC1 ZINC000647884902 397925646 /nfs/dbraw/zinc/92/56/46/397925646.db2.gz IHNIDCMHWXSPSR-UHFFFAOYSA-N 1 3 227.352 -0.262 20 0 BBADHO CN(CCOCC[NH3+])CCN1CCCC1=O ZINC000647885713 386279054 /nfs/dbraw/zinc/27/90/54/386279054.db2.gz IRFJCOOUSYUBDW-UHFFFAOYSA-N 1 3 229.324 -0.484 20 0 BBADHO [NH3+]CCOCCN1CCC(OCCCO)CC1 ZINC000647890021 386365691 /nfs/dbraw/zinc/36/56/91/386365691.db2.gz HPXRWFVQIPKWGG-UHFFFAOYSA-N 1 3 246.351 -0.175 20 0 BBADHO CC(C)(O)C[NH+]1CCC(NCCO)CC1 ZINC000647908800 386790149 /nfs/dbraw/zinc/79/01/49/386790149.db2.gz LDOVNRQJYJNECY-UHFFFAOYSA-N 1 3 216.325 -0.196 20 0 BBADHO Cn1ccnc1[C@@H]1CNCCN1C[C@@H]1CC[NH2+]C1 ZINC000647958081 411496279 /nfs/dbraw/zinc/49/62/79/411496279.db2.gz UGBPOUQIMIGJQN-NEPJUHHUSA-N 1 3 249.362 -0.024 20 0 BBADHO Cn1ccnc1[C@H]1CNCCN1C[C@H]1CC[NH2+]C1 ZINC000647958082 411496828 /nfs/dbraw/zinc/49/68/28/411496828.db2.gz UGBPOUQIMIGJQN-NWDGAFQWSA-N 1 3 249.362 -0.024 20 0 BBADHO Cn1ccnc1[C@@H]1CNCCN1C[C@H]1CC[NH2+]C1 ZINC000647958083 411496270 /nfs/dbraw/zinc/49/62/70/411496270.db2.gz UGBPOUQIMIGJQN-RYUDHWBXSA-N 1 3 249.362 -0.024 20 0 BBADHO Cn1ccnc1[C@H]1CNCCN1C[C@@H]1CC[NH2+]C1 ZINC000647958084 411496581 /nfs/dbraw/zinc/49/65/81/411496581.db2.gz UGBPOUQIMIGJQN-VXGBXAGGSA-N 1 3 249.362 -0.024 20 0 BBADHO CNC(=O)CC[N@@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000647962039 386734433 /nfs/dbraw/zinc/73/44/33/386734433.db2.gz KHUZPSRTZUJYDW-LLVKDONJSA-N 1 3 245.367 -0.245 20 0 BBADHO CNC(=O)CC[N@H+](C)C[C@@H](O)CN(C)C(C)C ZINC000647962039 386734427 /nfs/dbraw/zinc/73/44/27/386734427.db2.gz KHUZPSRTZUJYDW-LLVKDONJSA-N 1 3 245.367 -0.245 20 0 BBADHO CNC(=O)CC[N@@H+](C)C[C@H](O)CN(C)C(C)C ZINC000647962040 386736180 /nfs/dbraw/zinc/73/61/80/386736180.db2.gz KHUZPSRTZUJYDW-NSHDSACASA-N 1 3 245.367 -0.245 20 0 BBADHO CNC(=O)CC[N@H+](C)C[C@H](O)CN(C)C(C)C ZINC000647962040 386736174 /nfs/dbraw/zinc/73/61/74/386736174.db2.gz KHUZPSRTZUJYDW-NSHDSACASA-N 1 3 245.367 -0.245 20 0 BBADHO C[C@@H]1CN(CCOCC[NH3+])[C@H](C)CN1C ZINC000647989202 386348675 /nfs/dbraw/zinc/34/86/75/386348675.db2.gz XAHNHRXVYJATHV-GHMZBOCLSA-N 1 3 215.341 -0.014 20 0 BBADHO C[C@@H]1CN(CCOCC[NH3+])[C@@H](C)CN1C ZINC000647989204 386346639 /nfs/dbraw/zinc/34/66/39/386346639.db2.gz XAHNHRXVYJATHV-MNOVXSKESA-N 1 3 215.341 -0.014 20 0 BBADHO C[C@H]1CN(CCOCC[NH3+])[C@@H](C)CN1C ZINC000647989205 386346232 /nfs/dbraw/zinc/34/62/32/386346232.db2.gz XAHNHRXVYJATHV-QWRGUYRKSA-N 1 3 215.341 -0.014 20 0 BBADHO C[C@@H]1CN(C)[C@@H](C)CN1CCOCC[NH3+] ZINC000647989206 386348174 /nfs/dbraw/zinc/34/81/74/386348174.db2.gz XAHNHRXVYJATHV-WDEREUQCSA-N 1 3 215.341 -0.014 20 0 BBADHO C[C@@H]1CC[C@@H](O)CN1CCN1CC[NH2+]CC1 ZINC000647997585 386621140 /nfs/dbraw/zinc/62/11/40/386621140.db2.gz QWKCSKIWYBOVES-VXGBXAGGSA-N 1 3 227.352 -0.263 20 0 BBADHO C[C@@H]1CC[C@@H](O)CN1CCOCC[NH3+] ZINC000647997642 386620502 /nfs/dbraw/zinc/62/05/02/386620502.db2.gz VGVYEYXYXDPOSB-NXEZZACHSA-N 1 3 202.298 -0.193 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)[C@H]1CNCCC1(F)F ZINC000648103516 387018635 /nfs/dbraw/zinc/01/86/35/387018635.db2.gz DWYUQDKFZOPNFO-HTQZYQBOSA-N 1 3 235.278 -0.058 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)[C@H]1CNCCC1(F)F ZINC000648103517 387019457 /nfs/dbraw/zinc/01/94/57/387019457.db2.gz DWYUQDKFZOPNFO-JGVFFNPUSA-N 1 3 235.278 -0.058 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)[C@@H]1CNCCC1(F)F ZINC000648103518 387018975 /nfs/dbraw/zinc/01/89/75/387018975.db2.gz DWYUQDKFZOPNFO-SFYZADRCSA-N 1 3 235.278 -0.058 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)[C@@H]1CNCCC1(F)F ZINC000648103519 387019257 /nfs/dbraw/zinc/01/92/57/387019257.db2.gz DWYUQDKFZOPNFO-YUMQZZPRSA-N 1 3 235.278 -0.058 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)COC1(C)CNC1 ZINC000648105272 387023424 /nfs/dbraw/zinc/02/34/24/387023424.db2.gz KQRCYTWKGJABOI-NXEZZACHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)COC1(C)CNC1 ZINC000648105273 387023392 /nfs/dbraw/zinc/02/33/92/387023392.db2.gz KQRCYTWKGJABOI-UWVGGRQHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)COC1(C)CNC1 ZINC000648105274 387023587 /nfs/dbraw/zinc/02/35/87/387023587.db2.gz KQRCYTWKGJABOI-VHSXEESVSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)COC1(C)CNC1 ZINC000648105275 387022810 /nfs/dbraw/zinc/02/28/10/387022810.db2.gz KQRCYTWKGJABOI-ZJUUUORDSA-N 1 3 241.335 -0.439 20 0 BBADHO CCC[NH2+]CCNC(=O)COC1(C)CNC1 ZINC000648105502 387024806 /nfs/dbraw/zinc/02/48/06/387024806.db2.gz DAMFVXFXVUHDRW-UHFFFAOYSA-N 1 3 229.324 -0.519 20 0 BBADHO NC1(C(=O)NCC2C[NH2+]C2)Cc2ccccc2C1 ZINC000648105989 387029521 /nfs/dbraw/zinc/02/95/21/387029521.db2.gz XMVMPBVRSUPYFC-UHFFFAOYSA-N 1 3 245.326 -0.182 20 0 BBADHO COCCNCCNC(=O)CCC(C)(C)[NH3+] ZINC000648106098 387030896 /nfs/dbraw/zinc/03/08/96/387030896.db2.gz AIDGVUABHNCUJW-UHFFFAOYSA-N 1 3 231.340 -0.144 20 0 BBADHO CC1(OCC(=O)NC[C@@H]([NH3+])C2CC2)CNC1 ZINC000648106137 387029598 /nfs/dbraw/zinc/02/95/98/387029598.db2.gz DQEOSIOZHROYSI-SECBINFHSA-N 1 3 227.308 -0.782 20 0 BBADHO CC1(OCC(=O)NC[C@H]([NH3+])C2CC2)CNC1 ZINC000648106138 387028377 /nfs/dbraw/zinc/02/83/77/387028377.db2.gz DQEOSIOZHROYSI-VIFPVBQESA-N 1 3 227.308 -0.782 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648106175 387028495 /nfs/dbraw/zinc/02/84/95/387028495.db2.gz HZMCLXNKUNBCQU-GHMZBOCLSA-N 1 3 243.351 -0.321 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648106175 387028492 /nfs/dbraw/zinc/02/84/92/387028492.db2.gz HZMCLXNKUNBCQU-GHMZBOCLSA-N 1 3 243.351 -0.321 20 0 BBADHO COCCNCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648106187 387028265 /nfs/dbraw/zinc/02/82/65/387028265.db2.gz JZKIMXGTWLDDSL-BBBLOLIVSA-N 1 3 227.308 -0.911 20 0 BBADHO C[NH2+]CC(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106811 387041911 /nfs/dbraw/zinc/04/19/11/387041911.db2.gz ZDQMJQNVOGLHJZ-UHFFFAOYSA-N 1 3 220.276 -0.115 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000648107842 387050768 /nfs/dbraw/zinc/05/07/68/387050768.db2.gz UWCFROUFMUKMRV-NXEZZACHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000648107843 387050825 /nfs/dbraw/zinc/05/08/25/387050825.db2.gz UWCFROUFMUKMRV-UWVGGRQHSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000648107844 387049620 /nfs/dbraw/zinc/04/96/20/387049620.db2.gz UWCFROUFMUKMRV-VHSXEESVSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000648107845 387050543 /nfs/dbraw/zinc/05/05/43/387050543.db2.gz UWCFROUFMUKMRV-ZJUUUORDSA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)CN1 ZINC000648107978 387052287 /nfs/dbraw/zinc/05/22/87/387052287.db2.gz JIHCAWKQLOIBLT-APLZJWDSSA-N 1 3 223.320 -0.339 20 0 BBADHO C[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)CN1 ZINC000648107979 387053547 /nfs/dbraw/zinc/05/35/47/387053547.db2.gz JIHCAWKQLOIBLT-LADJIXMOSA-N 1 3 223.320 -0.339 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648107980 387053401 /nfs/dbraw/zinc/05/34/01/387053401.db2.gz JIHCAWKQLOIBLT-OGBGREFGSA-N 1 3 223.320 -0.339 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)CN1 ZINC000648107981 387053322 /nfs/dbraw/zinc/05/33/22/387053322.db2.gz JIHCAWKQLOIBLT-XXFSISAASA-N 1 3 223.320 -0.339 20 0 BBADHO C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)[C@H](C)CN1 ZINC000648108060 387051777 /nfs/dbraw/zinc/05/17/77/387051777.db2.gz WDYOJJATSXULJJ-NXEZZACHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)[C@@H](C)CN1 ZINC000648108061 387053070 /nfs/dbraw/zinc/05/30/70/387053070.db2.gz WDYOJJATSXULJJ-UWVGGRQHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)COC1(C)C[NH2+]C1 ZINC000648108062 387052175 /nfs/dbraw/zinc/05/21/75/387052175.db2.gz WDYOJJATSXULJJ-VHSXEESVSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)[C@@H](C)CN1 ZINC000648108063 387052596 /nfs/dbraw/zinc/05/25/96/387052596.db2.gz WDYOJJATSXULJJ-ZJUUUORDSA-N 1 3 241.335 -0.426 20 0 BBADHO CC1(OCC(=O)NCC2([NH3+])CCC2)CNC1 ZINC000648108603 387059299 /nfs/dbraw/zinc/05/92/99/387059299.db2.gz CDHRWPQRRXVPII-UHFFFAOYSA-N 1 3 227.308 -0.638 20 0 BBADHO C[C@H](C[NH3+])NC(=O)C1(N)Cc2ccccc2C1 ZINC000648110403 387503857 /nfs/dbraw/zinc/50/38/57/387503857.db2.gz BSNJOVLEPMNBES-SECBINFHSA-N 1 3 233.315 -0.054 20 0 BBADHO CC1(OCC(=O)NCC2=CC[NH2+]CC2)CNC1 ZINC000648111262 387082442 /nfs/dbraw/zinc/08/24/42/387082442.db2.gz BXEWCETYSUAYAC-UHFFFAOYSA-N 1 3 239.319 -0.599 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COC1(C)CNC1 ZINC000648111299 387094690 /nfs/dbraw/zinc/09/46/90/387094690.db2.gz FOQVCJOZABXODI-NXEZZACHSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COC1(C)CNC1 ZINC000648111300 387094427 /nfs/dbraw/zinc/09/44/27/387094427.db2.gz FOQVCJOZABXODI-UWVGGRQHSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)COC1(C)CNC1 ZINC000648111301 387094667 /nfs/dbraw/zinc/09/46/67/387094667.db2.gz FOQVCJOZABXODI-VHSXEESVSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COC1(C)CNC1 ZINC000648111302 387094776 /nfs/dbraw/zinc/09/47/76/387094776.db2.gz FOQVCJOZABXODI-ZJUUUORDSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(OCC(=O)N[C@H]2CCC[NH2+]CC2)CNC1 ZINC000648120214 387266486 /nfs/dbraw/zinc/26/64/86/387266486.db2.gz SKULGUCCKOGPLR-JTQLQIEISA-N 1 3 241.335 -0.377 20 0 BBADHO CC1(OCC(=O)N[C@@H]2CCC[NH2+]CC2)CNC1 ZINC000648120215 387265804 /nfs/dbraw/zinc/26/58/04/387265804.db2.gz SKULGUCCKOGPLR-SNVBAGLBSA-N 1 3 241.335 -0.377 20 0 BBADHO CC1(OCC(=O)N2CCC(C)([NH3+])CC2)CNC1 ZINC000648121362 387310107 /nfs/dbraw/zinc/31/01/07/387310107.db2.gz GTACRUNGCHTISV-UHFFFAOYSA-N 1 3 241.335 -0.295 20 0 BBADHO CC(C)[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC000648121710 387323217 /nfs/dbraw/zinc/32/32/17/387323217.db2.gz SNZWUYVYKNOIBZ-KXNHARMFSA-N 1 3 237.347 -0.092 20 0 BBADHO CC1(OCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CNC1 ZINC000648122149 487859679 /nfs/dbraw/zinc/85/96/79/487859679.db2.gz MOLYXRJIOKZXAE-NXEZZACHSA-N 1 3 241.335 -0.249 20 0 BBADHO CC1(OCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CNC1 ZINC000648122150 487859665 /nfs/dbraw/zinc/85/96/65/487859665.db2.gz MOLYXRJIOKZXAE-UWVGGRQHSA-N 1 3 241.335 -0.249 20 0 BBADHO CC1(OCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CNC1 ZINC000648122151 487860404 /nfs/dbraw/zinc/86/04/04/487860404.db2.gz MOLYXRJIOKZXAE-VHSXEESVSA-N 1 3 241.335 -0.249 20 0 BBADHO CC1(OCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CNC1 ZINC000648122152 487859974 /nfs/dbraw/zinc/85/99/74/487859974.db2.gz MOLYXRJIOKZXAE-ZJUUUORDSA-N 1 3 241.335 -0.249 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)COC1(C)CNC1 ZINC000648123840 387406131 /nfs/dbraw/zinc/40/61/31/387406131.db2.gz JOJXDDLLTHUIGE-NXEZZACHSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000648123841 387406834 /nfs/dbraw/zinc/40/68/34/387406834.db2.gz JOJXDDLLTHUIGE-UWVGGRQHSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)COC1(C)CNC1 ZINC000648123842 387406925 /nfs/dbraw/zinc/40/69/25/387406925.db2.gz JOJXDDLLTHUIGE-VHSXEESVSA-N 1 3 241.335 -0.521 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000648123843 387406123 /nfs/dbraw/zinc/40/61/23/387406123.db2.gz JOJXDDLLTHUIGE-ZJUUUORDSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(OCC(=O)NC2(C)CC[NH2+]CC2)CNC1 ZINC000648127066 383999752 /nfs/dbraw/zinc/99/97/52/383999752.db2.gz ABGDMLBIQATIAR-UHFFFAOYSA-N 1 3 241.335 -0.377 20 0 BBADHO C[C@H]1NCCN(C(=O)COC2(C)C[NH2+]C2)[C@@H]1C ZINC000648127645 384053970 /nfs/dbraw/zinc/05/39/70/384053970.db2.gz BIPZLTVPQRLKRT-NXEZZACHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1NCCN(C(=O)COC2(C)C[NH2+]C2)[C@H]1C ZINC000648127646 384053274 /nfs/dbraw/zinc/05/32/74/384053274.db2.gz BIPZLTVPQRLKRT-UWVGGRQHSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000648127647 384053633 /nfs/dbraw/zinc/05/36/33/384053633.db2.gz BIPZLTVPQRLKRT-VHSXEESVSA-N 1 3 241.335 -0.426 20 0 BBADHO C[C@H]1NCCN(C(=O)COC2(C)C[NH2+]C2)[C@H]1C ZINC000648127648 384053343 /nfs/dbraw/zinc/05/33/43/384053343.db2.gz BIPZLTVPQRLKRT-ZJUUUORDSA-N 1 3 241.335 -0.426 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000648127669 384053239 /nfs/dbraw/zinc/05/32/39/384053239.db2.gz GOOZKJCIFRTHMQ-AEJSXWLSSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000648127670 384054724 /nfs/dbraw/zinc/05/47/24/384054724.db2.gz GOOZKJCIFRTHMQ-BBBLOLIVSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000648127671 384052948 /nfs/dbraw/zinc/05/29/48/384052948.db2.gz GOOZKJCIFRTHMQ-GUBZILKMSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000648127672 384053457 /nfs/dbraw/zinc/05/34/57/384053457.db2.gz GOOZKJCIFRTHMQ-UTLUCORTSA-N 1 3 229.324 -0.441 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1C ZINC000648127739 384053677 /nfs/dbraw/zinc/05/36/77/384053677.db2.gz VZZWZKGBQLIXLA-APLZJWDSSA-N 1 3 223.320 -0.339 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]1C ZINC000648127740 384055053 /nfs/dbraw/zinc/05/50/53/384055053.db2.gz VZZWZKGBQLIXLA-LADJIXMOSA-N 1 3 223.320 -0.339 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648127741 384053643 /nfs/dbraw/zinc/05/36/43/384053643.db2.gz VZZWZKGBQLIXLA-OGBGREFGSA-N 1 3 223.320 -0.339 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]1C ZINC000648127742 384053030 /nfs/dbraw/zinc/05/30/30/384053030.db2.gz VZZWZKGBQLIXLA-XXFSISAASA-N 1 3 223.320 -0.339 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000648128554 397924651 /nfs/dbraw/zinc/92/46/51/397924651.db2.gz YBQZYOKKEGYJSF-UWVGGRQHSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)C1(N)Cc2ccccc2C1 ZINC000648128695 384075040 /nfs/dbraw/zinc/07/50/40/384075040.db2.gz IWTBFLXGCUQPPV-SECBINFHSA-N 1 3 233.315 -0.054 20 0 BBADHO C[C@H]([NH3+])CNC(=O)C1(N)Cc2ccccc2C1 ZINC000648128696 384075271 /nfs/dbraw/zinc/07/52/71/384075271.db2.gz IWTBFLXGCUQPPV-VIFPVBQESA-N 1 3 233.315 -0.054 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[NH2+]1 ZINC000648128880 384080225 /nfs/dbraw/zinc/08/02/25/384080225.db2.gz WLLSQRPNNSEGKM-NXEZZACHSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)COC2(C)CNC2)CC[NH2+]1 ZINC000648128881 384079303 /nfs/dbraw/zinc/07/93/03/384079303.db2.gz WLLSQRPNNSEGKM-UWVGGRQHSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[NH2+]1 ZINC000648128882 384080567 /nfs/dbraw/zinc/08/05/67/384080567.db2.gz WLLSQRPNNSEGKM-VHSXEESVSA-N 1 3 241.335 -0.378 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)COC2(C)CNC2)CC[NH2+]1 ZINC000648128883 384081551 /nfs/dbraw/zinc/08/15/51/384081551.db2.gz WLLSQRPNNSEGKM-ZJUUUORDSA-N 1 3 241.335 -0.378 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)COC1(C)CNC1 ZINC000648129575 384088732 /nfs/dbraw/zinc/08/87/32/384088732.db2.gz KQEYDTVGEQOSCZ-SECBINFHSA-N 1 3 229.324 -0.521 20 0 BBADHO CC1(OCC(=O)N2CC[C@](C)(C[NH3+])C2)CNC1 ZINC000648131018 384091879 /nfs/dbraw/zinc/09/18/79/384091879.db2.gz TUIRUVVPKUQKMP-LLVKDONJSA-N 1 3 241.335 -0.438 20 0 BBADHO CC1(OCC(=O)N2CC[C@@](C)(C[NH3+])C2)CNC1 ZINC000648131019 384090899 /nfs/dbraw/zinc/09/08/99/384090899.db2.gz TUIRUVVPKUQKMP-NSHDSACASA-N 1 3 241.335 -0.438 20 0 BBADHO CN(C)CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648136189 384155906 /nfs/dbraw/zinc/15/59/06/384155906.db2.gz FBSBIIRKDYNJSG-MRVPVSSYSA-N 1 3 235.278 -0.091 20 0 BBADHO CN(C)CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648136190 384154836 /nfs/dbraw/zinc/15/48/36/384154836.db2.gz FBSBIIRKDYNJSG-QMMMGPOBSA-N 1 3 235.278 -0.091 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)COC1(C)CNC1 ZINC000648137897 384159511 /nfs/dbraw/zinc/15/95/11/384159511.db2.gz SRKQGOHCAAXAJR-IUCAKERBSA-N 1 3 227.308 -0.687 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)COC1(C)CNC1 ZINC000648139911 384168994 /nfs/dbraw/zinc/16/89/94/384168994.db2.gz MLTNOPLFCGDFJT-JTQLQIEISA-N 1 3 243.351 -0.001 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)COC1(C)CNC1 ZINC000648139912 384169176 /nfs/dbraw/zinc/16/91/76/384169176.db2.gz MLTNOPLFCGDFJT-SNVBAGLBSA-N 1 3 243.351 -0.001 20 0 BBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CNCCC1(F)F ZINC000648140490 384169788 /nfs/dbraw/zinc/16/97/88/384169788.db2.gz WUJKKADBWZEMDX-UYXSQOIJSA-N 1 3 245.273 -0.435 20 0 BBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CNCCC1(F)F ZINC000648140491 384169001 /nfs/dbraw/zinc/16/90/01/384169001.db2.gz WUJKKADBWZEMDX-XAVMHZPKSA-N 1 3 245.273 -0.435 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648140771 384170897 /nfs/dbraw/zinc/17/08/97/384170897.db2.gz KLWCFMODRFWPCX-RXKWGBCNSA-N 1 3 227.283 -0.732 20 0 BBADHO CC1(OCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CNC1 ZINC000648140798 384172040 /nfs/dbraw/zinc/17/20/40/384172040.db2.gz LQOQKTVDNGGQDX-IUCAKERBSA-N 1 3 245.298 -0.819 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648140844 384171064 /nfs/dbraw/zinc/17/10/64/384171064.db2.gz NEPYGHHFWXVYQF-KBDSZGMXSA-N 1 3 227.283 -0.447 20 0 BBADHO [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000648141266 384171777 /nfs/dbraw/zinc/17/17/77/384171777.db2.gz XGCXUBDPYXPVLY-MAUMQABQSA-N 1 3 215.272 -0.460 20 0 BBADHO CC(C)(CCC[NH3+])NC(=O)COC1(C)CNC1 ZINC000648141594 384171266 /nfs/dbraw/zinc/17/12/66/384171266.db2.gz LQFAVKQLJZFDBI-UHFFFAOYSA-N 1 3 243.351 -0.001 20 0 BBADHO CC(C)(CCC[NH3+])NC(=O)[C@@H]1CNCCOC1 ZINC000648142406 384173077 /nfs/dbraw/zinc/17/30/77/384173077.db2.gz QTBFJTMINSEYMV-SNVBAGLBSA-N 1 3 243.351 -0.144 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)COC1(C)CNC1 ZINC000648144549 384264323 /nfs/dbraw/zinc/26/43/23/384264323.db2.gz PZSSXICUSZVGTQ-SECBINFHSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)COC1(C)CNC1 ZINC000648144550 384266041 /nfs/dbraw/zinc/26/60/41/384266041.db2.gz PZSSXICUSZVGTQ-VIFPVBQESA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000648145063 384441338 /nfs/dbraw/zinc/44/13/38/384441338.db2.gz AQGVBBDZRDTQTG-HTQZYQBOSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@@H](NC(=O)COC1(C)CNC1)[C@H](C)[NH3+] ZINC000648145064 384442345 /nfs/dbraw/zinc/44/23/45/384442345.db2.gz AQGVBBDZRDTQTG-JGVFFNPUSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)COC1(C)CNC1 ZINC000648145065 384441531 /nfs/dbraw/zinc/44/15/31/384441531.db2.gz AQGVBBDZRDTQTG-SFYZADRCSA-N 1 3 215.297 -0.783 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)COC1(C)CNC1 ZINC000648145066 384441751 /nfs/dbraw/zinc/44/17/51/384441751.db2.gz AQGVBBDZRDTQTG-YUMQZZPRSA-N 1 3 215.297 -0.783 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)COC1(C)CNC1 ZINC000648145917 397957395 /nfs/dbraw/zinc/95/73/95/397957395.db2.gz ZYABCIDUIAOUAT-MRVPVSSYSA-N 1 3 215.297 -0.782 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)COC1(C)CNC1 ZINC000648145918 397957390 /nfs/dbraw/zinc/95/73/90/397957390.db2.gz ZYABCIDUIAOUAT-QMMMGPOBSA-N 1 3 215.297 -0.782 20 0 BBADHO CN(C(=O)COC1(C)CNC1)C1CC([NH3+])C1 ZINC000648146732 384494752 /nfs/dbraw/zinc/49/47/52/384494752.db2.gz BFWVTSNMSUSHDO-UHFFFAOYSA-N 1 3 227.308 -0.687 20 0 BBADHO CN(C(=O)[C@H]1NCC1(C)C)C1CC([NH3+])C1 ZINC000648146760 384494608 /nfs/dbraw/zinc/49/46/08/384494608.db2.gz JSHRXFBZAPUUBY-AMDVSUOASA-N 1 3 211.309 -0.068 20 0 BBADHO CN(C(=O)[C@@H]1NCC1(C)C)C1CC([NH3+])C1 ZINC000648146761 384496109 /nfs/dbraw/zinc/49/61/09/384496109.db2.gz JSHRXFBZAPUUBY-HACHORDNSA-N 1 3 211.309 -0.068 20 0 BBADHO COCCNCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000648147061 384503808 /nfs/dbraw/zinc/50/38/08/384503808.db2.gz DENRJLJKUCAJSB-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO CN(C(=O)COC1(C)CNC1)C1(C[NH3+])CCC1 ZINC000648147213 384517914 /nfs/dbraw/zinc/51/79/14/384517914.db2.gz DXMIKMLXRXSMHN-UHFFFAOYSA-N 1 3 241.335 -0.295 20 0 BBADHO NC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCC1 ZINC000648148100 384828873 /nfs/dbraw/zinc/82/88/73/384828873.db2.gz GQIQTSQSSQXWTJ-JTQLQIEISA-N 1 3 241.335 -0.247 20 0 BBADHO NC1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCCC1 ZINC000648148101 384829116 /nfs/dbraw/zinc/82/91/16/384829116.db2.gz GQIQTSQSSQXWTJ-SNVBAGLBSA-N 1 3 241.335 -0.247 20 0 BBADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCCCN1 ZINC000648148154 384838306 /nfs/dbraw/zinc/83/83/06/384838306.db2.gz MFSDZLAQHLPONW-GHMZBOCLSA-N 1 3 241.335 -0.377 20 0 BBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCCN1 ZINC000648148155 384838093 /nfs/dbraw/zinc/83/80/93/384838093.db2.gz MFSDZLAQHLPONW-WDEREUQCSA-N 1 3 241.335 -0.377 20 0 BBADHO CC1(OCC(=O)N[C@@H]2CC[NH2+]C2(C)C)CNC1 ZINC000648148372 384993996 /nfs/dbraw/zinc/99/39/96/384993996.db2.gz AMRKGEGGSSJXIU-SECBINFHSA-N 1 3 241.335 -0.378 20 0 BBADHO CC1(OCC(=O)N[C@H]2CC[NH2+]C2(C)C)CNC1 ZINC000648148373 384995691 /nfs/dbraw/zinc/99/56/91/384995691.db2.gz AMRKGEGGSSJXIU-VIFPVBQESA-N 1 3 241.335 -0.378 20 0 BBADHO CC1(OCC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CNC1 ZINC000648148536 385002140 /nfs/dbraw/zinc/00/21/40/385002140.db2.gz OGZAGSHCVURVET-NXEZZACHSA-N 1 3 241.335 -0.392 20 0 BBADHO CC1(OCC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CNC1 ZINC000648148537 385001569 /nfs/dbraw/zinc/00/15/69/385001569.db2.gz OGZAGSHCVURVET-UWVGGRQHSA-N 1 3 241.335 -0.392 20 0 BBADHO CC1(OCC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CNC1 ZINC000648148538 385001910 /nfs/dbraw/zinc/00/19/10/385001910.db2.gz OGZAGSHCVURVET-VHSXEESVSA-N 1 3 241.335 -0.392 20 0 BBADHO CC1(OCC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CNC1 ZINC000648148539 385002212 /nfs/dbraw/zinc/00/22/12/385002212.db2.gz OGZAGSHCVURVET-ZJUUUORDSA-N 1 3 241.335 -0.392 20 0 BBADHO CC1(C)CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCN1 ZINC000648148763 385260541 /nfs/dbraw/zinc/26/05/41/385260541.db2.gz BZGKRKPBLIHIOH-MYJAWHEDSA-N 1 3 223.320 -0.338 20 0 BBADHO CC1(C)CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCN1 ZINC000648148766 385258769 /nfs/dbraw/zinc/25/87/69/385258769.db2.gz DJDPFOJKJORKDV-BBBLOLIVSA-N 1 3 223.320 -0.053 20 0 BBADHO CC1(OCC(=O)N2CCNC(C)(C)C2)C[NH2+]C1 ZINC000648148839 385255679 /nfs/dbraw/zinc/25/56/79/385255679.db2.gz WOWXCQOBQYGDSV-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCN(CCN(C)C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648152596 385294456 /nfs/dbraw/zinc/29/44/56/385294456.db2.gz KDWXTAQALITTCX-LLVKDONJSA-N 1 3 243.351 -0.225 20 0 BBADHO COCCN(CCN(C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648152657 385295470 /nfs/dbraw/zinc/29/54/70/385295470.db2.gz RMZJTMHJFKNAPL-PHIMTYICSA-N 1 3 243.351 -0.240 20 0 BBADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN2CCC1CC2 ZINC000648153786 384199406 /nfs/dbraw/zinc/19/94/06/384199406.db2.gz OCZZLEBAMVSAFI-GDNZZTSVSA-N 1 3 235.331 -0.242 20 0 BBADHO CN(C)CCOCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648159812 384859854 /nfs/dbraw/zinc/85/98/54/384859854.db2.gz JEITUUQWJSRPJI-MXWKQRLJSA-N 1 3 241.335 -0.569 20 0 BBADHO CN(C)CCOCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648159914 384860625 /nfs/dbraw/zinc/86/06/25/384860625.db2.gz ZIBQVTIJVVZKCL-URLYPYJESA-N 1 3 241.335 -0.854 20 0 BBADHO COCCNCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000648162422 384888681 /nfs/dbraw/zinc/88/86/81/384888681.db2.gz FYTQZZXAFSSBBN-LLVKDONJSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000648162423 384889922 /nfs/dbraw/zinc/88/99/22/384889922.db2.gz FYTQZZXAFSSBBN-NSHDSACASA-N 1 3 241.335 -0.425 20 0 BBADHO CN(C(=O)COC1(C)CNC1)[C@@H](C[NH3+])C1CC1 ZINC000648177052 384518852 /nfs/dbraw/zinc/51/88/52/384518852.db2.gz ZNKIZECWDSSTCB-JTQLQIEISA-N 1 3 241.335 -0.439 20 0 BBADHO CN(C(=O)COC1(C)CNC1)[C@H](C[NH3+])C1CC1 ZINC000648177053 384520939 /nfs/dbraw/zinc/52/09/39/384520939.db2.gz ZNKIZECWDSSTCB-SNVBAGLBSA-N 1 3 241.335 -0.439 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)COC1(C)CNC1 ZINC000648177123 384539474 /nfs/dbraw/zinc/53/94/74/384539474.db2.gz JEFYXZJZQWEHEM-SECBINFHSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)COC1(C)CNC1 ZINC000648177124 384540085 /nfs/dbraw/zinc/54/00/85/384540085.db2.gz JEFYXZJZQWEHEM-VIFPVBQESA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000648177148 384540535 /nfs/dbraw/zinc/54/05/35/384540535.db2.gz LOIUWSPZGSVTTM-NXEZZACHSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000648177149 384539652 /nfs/dbraw/zinc/53/96/52/384539652.db2.gz LOIUWSPZGSVTTM-UWVGGRQHSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@H]1CNCCO1 ZINC000648177150 384539952 /nfs/dbraw/zinc/53/99/52/384539952.db2.gz LOIUWSPZGSVTTM-VHSXEESVSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H]1CNCCO1 ZINC000648177151 384541338 /nfs/dbraw/zinc/54/13/38/384541338.db2.gz LOIUWSPZGSVTTM-ZJUUUORDSA-N 1 3 243.351 -0.146 20 0 BBADHO [NH3+]C1(C(=O)NC[C@H]2CNCCO2)CCCC1 ZINC000648177314 384545709 /nfs/dbraw/zinc/54/57/09/384545709.db2.gz SICQNLPSSPKYKV-SECBINFHSA-N 1 3 227.308 -0.638 20 0 BBADHO [NH3+]C1(C(=O)NC[C@@H]2CNCCO2)CCCC1 ZINC000648177315 384546439 /nfs/dbraw/zinc/54/64/39/384546439.db2.gz SICQNLPSSPKYKV-VIFPVBQESA-N 1 3 227.308 -0.638 20 0 BBADHO CC(C)([NH3+])CCC(=O)NC[C@H]1CNCCO1 ZINC000648177316 384546394 /nfs/dbraw/zinc/54/63/94/384546394.db2.gz SOUZYJYMCZKQDU-SECBINFHSA-N 1 3 229.324 -0.392 20 0 BBADHO CC(C)([NH3+])CCC(=O)NC[C@@H]1CNCCO1 ZINC000648177317 384545301 /nfs/dbraw/zinc/54/53/01/384545301.db2.gz SOUZYJYMCZKQDU-VIFPVBQESA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CNCCO2)CC[N@H+]1C ZINC000648177323 384547412 /nfs/dbraw/zinc/54/74/12/384547412.db2.gz SVNLSSBIPDVBOT-GMTAPVOTSA-N 1 3 241.335 -0.569 20 0 BBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CNCCO2)CC[N@@H+]1C ZINC000648177323 384547403 /nfs/dbraw/zinc/54/74/03/384547403.db2.gz SVNLSSBIPDVBOT-GMTAPVOTSA-N 1 3 241.335 -0.569 20 0 BBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CNCCO2)CC[N@H+]1C ZINC000648177325 384548352 /nfs/dbraw/zinc/54/83/52/384548352.db2.gz SVNLSSBIPDVBOT-OUAUKWLOSA-N 1 3 241.335 -0.569 20 0 BBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CNCCO2)CC[N@@H+]1C ZINC000648177325 384548345 /nfs/dbraw/zinc/54/83/45/384548345.db2.gz SVNLSSBIPDVBOT-OUAUKWLOSA-N 1 3 241.335 -0.569 20 0 BBADHO CN(CC[NH3+])C(=O)[C@H]1CNCCC1(F)F ZINC000648177468 488072617 /nfs/dbraw/zinc/07/26/17/488072617.db2.gz BMPUFLYUPIHQSW-SSDOTTSWSA-N 1 3 221.251 -0.352 20 0 BBADHO CN(CC[NH3+])C(=O)[C@@H]1CNCCC1(F)F ZINC000648177469 488073077 /nfs/dbraw/zinc/07/30/77/488073077.db2.gz BMPUFLYUPIHQSW-ZETCQYMHSA-N 1 3 221.251 -0.352 20 0 BBADHO NC1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCC1 ZINC000648177526 398338317 /nfs/dbraw/zinc/33/83/17/398338317.db2.gz GCLAVVZNPIOTSF-JTQLQIEISA-N 1 3 241.335 -0.166 20 0 BBADHO NC1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCCC1 ZINC000648177527 398338321 /nfs/dbraw/zinc/33/83/21/398338321.db2.gz GCLAVVZNPIOTSF-SNVBAGLBSA-N 1 3 241.335 -0.166 20 0 BBADHO CN(CC[NH3+])C(=O)C1(N)Cc2ccccc2C1 ZINC000648177630 384567054 /nfs/dbraw/zinc/56/70/54/384567054.db2.gz KWFGWGAJQKDGMJ-UHFFFAOYSA-N 1 3 233.315 -0.100 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)COC1(C)CNC1 ZINC000648179419 384335228 /nfs/dbraw/zinc/33/52/28/384335228.db2.gz UJSKDBJACYPZHI-UHFFFAOYSA-N 1 3 229.324 -0.392 20 0 BBADHO CC1(OCC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CNC1 ZINC000648180332 384461194 /nfs/dbraw/zinc/46/11/94/384461194.db2.gz WYPSRXBTOREXKV-NXEZZACHSA-N 1 3 241.335 -0.249 20 0 BBADHO CNCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181038 384492062 /nfs/dbraw/zinc/49/20/62/384492062.db2.gz XLUTYOIUJZFXBO-SECBINFHSA-N 1 3 211.309 -0.003 20 0 BBADHO CNCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181039 384490827 /nfs/dbraw/zinc/49/08/27/384490827.db2.gz XLUTYOIUJZFXBO-VIFPVBQESA-N 1 3 211.309 -0.003 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)COC1(C)CNC1 ZINC000648190410 384802930 /nfs/dbraw/zinc/80/29/30/384802930.db2.gz ZGHKLHNCEWXPIE-BDAKNGLRSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)COC1(C)CNC1 ZINC000648190411 384803913 /nfs/dbraw/zinc/80/39/13/384803913.db2.gz ZGHKLHNCEWXPIE-DTWKUNHWSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)COC1(C)CNC1 ZINC000648190412 384803406 /nfs/dbraw/zinc/80/34/06/384803406.db2.gz ZGHKLHNCEWXPIE-IUCAKERBSA-N 1 3 229.324 -0.393 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000648190413 384803732 /nfs/dbraw/zinc/80/37/32/384803732.db2.gz ZGHKLHNCEWXPIE-RKDXNWHRSA-N 1 3 229.324 -0.393 20 0 BBADHO CNCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000648201709 384825331 /nfs/dbraw/zinc/82/53/31/384825331.db2.gz DFAWHFKUNSUFSV-UHFFFAOYSA-N 1 3 207.277 -0.019 20 0 BBADHO CC1(OCC(=O)NCCC[NH2+]C2CC2)CNC1 ZINC000648203207 384832155 /nfs/dbraw/zinc/83/21/55/384832155.db2.gz XKDVVCLWPSHNFE-UHFFFAOYSA-N 1 3 241.335 -0.377 20 0 BBADHO CNCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205921 384840140 /nfs/dbraw/zinc/84/01/40/384840140.db2.gz OZGLLPQVUHKIBA-SECBINFHSA-N 1 3 211.309 -0.003 20 0 BBADHO CNCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205922 384840690 /nfs/dbraw/zinc/84/06/90/384840690.db2.gz OZGLLPQVUHKIBA-VIFPVBQESA-N 1 3 211.309 -0.003 20 0 BBADHO CN1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649277636 388500496 /nfs/dbraw/zinc/50/04/96/388500496.db2.gz LJZRTTCEAKOUEM-URLYPYJESA-N 1 3 223.320 -0.338 20 0 BBADHO CN1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649277785 388503815 /nfs/dbraw/zinc/50/38/15/388503815.db2.gz RSOFFULNMIGIOU-IEBDPFPHSA-N 1 3 223.320 -0.053 20 0 BBADHO [NH3+][C@H]1C[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000649280819 388515488 /nfs/dbraw/zinc/51/54/88/388515488.db2.gz NYKCTUJPWRCWIS-AOOOYVTPSA-N 1 3 211.309 -0.064 20 0 BBADHO O=C(NCCN1CCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649280868 388515890 /nfs/dbraw/zinc/51/58/90/388515890.db2.gz QKNGKGVZOBAERO-URLYPYJESA-N 1 3 223.320 -0.336 20 0 BBADHO O=C(NCCN1CCCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649280901 388515897 /nfs/dbraw/zinc/51/58/97/388515897.db2.gz SBXWCIFHPGFJMI-MXWKQRLJSA-N 1 3 223.320 -0.051 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000649304992 388589421 /nfs/dbraw/zinc/58/94/21/388589421.db2.gz VEVWYZKGBXIMDH-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000649304993 388589050 /nfs/dbraw/zinc/58/90/50/388589050.db2.gz VEVWYZKGBXIMDH-KXUCPTDWSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649305031 388589024 /nfs/dbraw/zinc/58/90/24/388589024.db2.gz YCDOVOCACOSYSR-UKKRHICBSA-N 1 3 223.320 -0.338 20 0 BBADHO CN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649305032 388589485 /nfs/dbraw/zinc/58/94/85/388589485.db2.gz YCDOVOCACOSYSR-ZNSHCXBVSA-N 1 3 223.320 -0.338 20 0 BBADHO C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)N(C)C ZINC000649305860 388590562 /nfs/dbraw/zinc/59/05/62/388590562.db2.gz IPUBTGBWVDMRLC-JLIMGVALSA-N 1 3 211.309 -0.197 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)N(C)C ZINC000649305861 388590147 /nfs/dbraw/zinc/59/01/47/388590147.db2.gz IPUBTGBWVDMRLC-KYXWUPHJSA-N 1 3 211.309 -0.197 20 0 BBADHO C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(C)C ZINC000649305979 388590371 /nfs/dbraw/zinc/59/03/71/388590371.db2.gz RMCPGFZHABANPA-AXTSPUMRSA-N 1 3 211.309 -0.482 20 0 BBADHO C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(C)C ZINC000649305980 388590678 /nfs/dbraw/zinc/59/06/78/388590678.db2.gz RMCPGFZHABANPA-IMSYWVGJSA-N 1 3 211.309 -0.482 20 0 BBADHO CN(CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000649307319 388592673 /nfs/dbraw/zinc/59/26/73/388592673.db2.gz GLFSOPYYRBJRKV-DTORHVGOSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000649307352 388592826 /nfs/dbraw/zinc/59/28/26/388592826.db2.gz JIZFNUXGBGVYBP-URLYPYJESA-N 1 3 223.320 -0.338 20 0 BBADHO CN(CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000649307537 388593310 /nfs/dbraw/zinc/59/33/10/388593310.db2.gz YYDVMDPYQKZMAE-IEBDPFPHSA-N 1 3 223.320 -0.053 20 0 BBADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649308182 388595000 /nfs/dbraw/zinc/59/50/00/388595000.db2.gz QLDCDGCSZNMQTQ-OHBODLIOSA-N 1 3 235.331 -0.195 20 0 BBADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649308183 388594525 /nfs/dbraw/zinc/59/45/25/388594525.db2.gz QLDCDGCSZNMQTQ-YJQGPUDQSA-N 1 3 235.331 -0.195 20 0 BBADHO CN1CCC[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649311010 388596813 /nfs/dbraw/zinc/59/68/13/388596813.db2.gz UGAVOAZAYVHLFC-NNYUYHANSA-N 1 3 237.347 -0.090 20 0 BBADHO CN1CCC[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649311011 388596529 /nfs/dbraw/zinc/59/65/29/388596529.db2.gz UGAVOAZAYVHLFC-WYUUTHIRSA-N 1 3 237.347 -0.090 20 0 BBADHO C[NH+](C)CCn1cc(NC(=O)C2(N)CC2)cn1 ZINC000649312365 388600026 /nfs/dbraw/zinc/60/00/26/388600026.db2.gz KIGXXFCYCGVADO-UHFFFAOYSA-N 1 3 237.307 -0.126 20 0 BBADHO C[NH+](C)CCn1cc(NC(=O)CN)cn1 ZINC000649312379 388599507 /nfs/dbraw/zinc/59/95/07/388599507.db2.gz KZMGOHQZQRZUSC-UHFFFAOYSA-N 1 3 211.269 -0.658 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649313993 398141347 /nfs/dbraw/zinc/14/13/47/398141347.db2.gz GASCEFWTQWFSFB-URLYPYJESA-N 1 3 241.335 -0.854 20 0 BBADHO COCCN(C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649314277 388603581 /nfs/dbraw/zinc/60/35/81/388603581.db2.gz XPDIHJPUVIJMHM-MXWKQRLJSA-N 1 3 241.335 -0.569 20 0 BBADHO C[C@H]1CCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649341700 398157955 /nfs/dbraw/zinc/15/79/55/398157955.db2.gz RLNYIBLKOLBIBG-NNYUYHANSA-N 1 3 237.347 -0.090 20 0 BBADHO C[C@@H]1CCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649341701 398157996 /nfs/dbraw/zinc/15/79/96/398157996.db2.gz RLNYIBLKOLBIBG-WYUUTHIRSA-N 1 3 237.347 -0.090 20 0 BBADHO C[C@H]1CCN(CCNC(=O)COCC[NH3+])C1 ZINC000649342236 398158548 /nfs/dbraw/zinc/15/85/48/398158548.db2.gz VIWKAMRUAPBJFB-JTQLQIEISA-N 1 3 229.324 -0.580 20 0 BBADHO C[C@@H]1CCN(CCNC(=O)COCC[NH3+])C1 ZINC000649342237 398158487 /nfs/dbraw/zinc/15/84/87/398158487.db2.gz VIWKAMRUAPBJFB-SNVBAGLBSA-N 1 3 229.324 -0.580 20 0 BBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN)CC2)C1 ZINC000649352729 398165874 /nfs/dbraw/zinc/16/58/74/398165874.db2.gz GUYMZGKDHMCQGI-LLVKDONJSA-N 1 3 240.351 -0.817 20 0 BBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN)CC2)C1 ZINC000649352729 398165871 /nfs/dbraw/zinc/16/58/71/398165871.db2.gz GUYMZGKDHMCQGI-LLVKDONJSA-N 1 3 240.351 -0.817 20 0 BBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)CN)CC2)C1 ZINC000649352730 398166050 /nfs/dbraw/zinc/16/60/50/398166050.db2.gz GUYMZGKDHMCQGI-NSHDSACASA-N 1 3 240.351 -0.817 20 0 BBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN)CC2)C1 ZINC000649352730 398166047 /nfs/dbraw/zinc/16/60/47/398166047.db2.gz GUYMZGKDHMCQGI-NSHDSACASA-N 1 3 240.351 -0.817 20 0 BBADHO CCN1CCN(CCC(=O)NC[C@@H](C)[NH3+])CC1 ZINC000649359978 398172587 /nfs/dbraw/zinc/17/25/87/398172587.db2.gz SQKSYEXUKHKNRE-LLVKDONJSA-N 1 3 242.367 -0.523 20 0 BBADHO CCN1CCN(CCC(=O)NC[C@H](C)[NH3+])CC1 ZINC000649359979 398172609 /nfs/dbraw/zinc/17/26/09/398172609.db2.gz SQKSYEXUKHKNRE-NSHDSACASA-N 1 3 242.367 -0.523 20 0 BBADHO CC(C)N1CCCN(C(=O)COCC[NH3+])CC1 ZINC000649374075 398182366 /nfs/dbraw/zinc/18/23/66/398182366.db2.gz PIESSGVZGGBWDI-UHFFFAOYSA-N 1 3 243.351 -0.096 20 0 BBADHO CN(CCC[NH3+])CCCN1CCOCC1 ZINC000649410138 398209062 /nfs/dbraw/zinc/20/90/62/398209062.db2.gz SHMBKZSXUZSCAS-UHFFFAOYSA-N 1 3 215.341 -0.011 20 0 BBADHO [NH3+]CCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000649412359 398213939 /nfs/dbraw/zinc/21/39/39/398213939.db2.gz CWJCPHLIYWVNLW-NEPJUHHUSA-N 1 3 227.352 -0.134 20 0 BBADHO [NH3+]CCCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000649412360 398214389 /nfs/dbraw/zinc/21/43/89/398214389.db2.gz CWJCPHLIYWVNLW-NWDGAFQWSA-N 1 3 227.352 -0.134 20 0 BBADHO [NH3+]CCCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000649412361 398214450 /nfs/dbraw/zinc/21/44/50/398214450.db2.gz CWJCPHLIYWVNLW-RYUDHWBXSA-N 1 3 227.352 -0.134 20 0 BBADHO [NH3+]CCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000649412362 398214318 /nfs/dbraw/zinc/21/43/18/398214318.db2.gz CWJCPHLIYWVNLW-VXGBXAGGSA-N 1 3 227.352 -0.134 20 0 BBADHO C[C@H]([NH3+])CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000649412409 398214363 /nfs/dbraw/zinc/21/43/63/398214363.db2.gz IVPPRBBGNNWVBZ-QJPTWQEYSA-N 1 3 227.352 -0.135 20 0 BBADHO C[C@H]([NH3+])CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000649412410 398214385 /nfs/dbraw/zinc/21/43/85/398214385.db2.gz IVPPRBBGNNWVBZ-SDDRHHMPSA-N 1 3 227.352 -0.135 20 0 BBADHO C[C@H]([NH3+])CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000649412411 398213667 /nfs/dbraw/zinc/21/36/67/398213667.db2.gz IVPPRBBGNNWVBZ-SRVKXCTJSA-N 1 3 227.352 -0.135 20 0 BBADHO C[C@H]([NH3+])CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000649412412 398213703 /nfs/dbraw/zinc/21/37/03/398213703.db2.gz IVPPRBBGNNWVBZ-TUAOUCFPSA-N 1 3 227.352 -0.135 20 0 BBADHO C[C@H]([NH3+])CN1CCN(C(C)(C)CO)CC1 ZINC000649413506 398212118 /nfs/dbraw/zinc/21/21/18/398212118.db2.gz AZHOUACDJRIBFL-JTQLQIEISA-N 1 3 215.341 -0.278 20 0 BBADHO C[C@@H]([NH3+])CN1CCN(C(C)(C)CO)CC1 ZINC000649413507 398212114 /nfs/dbraw/zinc/21/21/14/398212114.db2.gz AZHOUACDJRIBFL-SNVBAGLBSA-N 1 3 215.341 -0.278 20 0 BBADHO C[NH2+]CCCN1CCN(C(C)(C)CO)CC1 ZINC000649413526 398211876 /nfs/dbraw/zinc/21/18/76/398211876.db2.gz DFNCSGWLVUNMFK-UHFFFAOYSA-N 1 3 229.368 -0.016 20 0 BBADHO CC(C)(CO)N1CCN(CCC[NH3+])CC1 ZINC000649413531 398212091 /nfs/dbraw/zinc/21/20/91/398212091.db2.gz DRELIMAHKGNAIC-UHFFFAOYSA-N 1 3 215.341 -0.276 20 0 BBADHO CC(C)(CO)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649413645 398212235 /nfs/dbraw/zinc/21/22/35/398212235.db2.gz WLKFWYWYTRZFJQ-GFCCVEGCSA-N 1 3 241.379 -0.016 20 0 BBADHO CC(C)(CO)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649413646 398212030 /nfs/dbraw/zinc/21/20/30/398212030.db2.gz WLKFWYWYTRZFJQ-LBPRGKRZSA-N 1 3 241.379 -0.016 20 0 BBADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743684 410380337 /nfs/dbraw/zinc/38/03/37/410380337.db2.gz YOPWQGKNPUELGY-AXTSPUMRSA-N 1 3 211.309 -0.033 20 0 BBADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743685 410381023 /nfs/dbraw/zinc/38/10/23/410381023.db2.gz YOPWQGKNPUELGY-DOLQZWNJSA-N 1 3 211.309 -0.033 20 0 BBADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743686 410380748 /nfs/dbraw/zinc/38/07/48/410380748.db2.gz YOPWQGKNPUELGY-IMSYWVGJSA-N 1 3 211.309 -0.033 20 0 BBADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743687 410381578 /nfs/dbraw/zinc/38/15/78/410381578.db2.gz YOPWQGKNPUELGY-QEYWKRMJSA-N 1 3 211.309 -0.033 20 0 BBADHO CN(C)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652238499 411177420 /nfs/dbraw/zinc/17/74/20/411177420.db2.gz JJTUFSZEPBDGBK-UHFFFAOYSA-N 1 3 228.340 -0.024 20 0 BBADHO CNC[C@](C)(O)C[N@@H+](C)CCCOC ZINC000652337428 411204223 /nfs/dbraw/zinc/20/42/23/411204223.db2.gz LKQCPALQHMPZPS-JTQLQIEISA-N 1 3 204.314 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+](C)CCCOC ZINC000652337428 411204222 /nfs/dbraw/zinc/20/42/22/411204222.db2.gz LKQCPALQHMPZPS-JTQLQIEISA-N 1 3 204.314 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+](C)CCCOC ZINC000652337429 411204265 /nfs/dbraw/zinc/20/42/65/411204265.db2.gz LKQCPALQHMPZPS-SNVBAGLBSA-N 1 3 204.314 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@H+](C)CCCOC ZINC000652337429 411204264 /nfs/dbraw/zinc/20/42/64/411204264.db2.gz LKQCPALQHMPZPS-SNVBAGLBSA-N 1 3 204.314 -0.075 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000652338147 411204991 /nfs/dbraw/zinc/20/49/91/411204991.db2.gz GIWBWBFCHPNNFI-CMPLNLGQSA-N 1 3 243.351 -0.585 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000652338147 411204989 /nfs/dbraw/zinc/20/49/89/411204989.db2.gz GIWBWBFCHPNNFI-CMPLNLGQSA-N 1 3 243.351 -0.585 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000652338148 411204827 /nfs/dbraw/zinc/20/48/27/411204827.db2.gz GIWBWBFCHPNNFI-JQWIXIFHSA-N 1 3 243.351 -0.585 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000652338148 411204825 /nfs/dbraw/zinc/20/48/25/411204825.db2.gz GIWBWBFCHPNNFI-JQWIXIFHSA-N 1 3 243.351 -0.585 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000652338149 411204547 /nfs/dbraw/zinc/20/45/47/411204547.db2.gz GIWBWBFCHPNNFI-PWSUYJOCSA-N 1 3 243.351 -0.585 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000652338149 411204545 /nfs/dbraw/zinc/20/45/45/411204545.db2.gz GIWBWBFCHPNNFI-PWSUYJOCSA-N 1 3 243.351 -0.585 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000652338150 411204671 /nfs/dbraw/zinc/20/46/71/411204671.db2.gz GIWBWBFCHPNNFI-ZYHUDNBSSA-N 1 3 243.351 -0.585 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000652338150 411204668 /nfs/dbraw/zinc/20/46/68/411204668.db2.gz GIWBWBFCHPNNFI-ZYHUDNBSSA-N 1 3 243.351 -0.585 20 0 BBADHO C[NH2+]C[C@](C)(O)CN(C)C[C@H]1CCCN1C ZINC000652344265 411209425 /nfs/dbraw/zinc/20/94/25/411209425.db2.gz BOOXJNFENSERAQ-NEPJUHHUSA-N 1 3 229.368 -0.017 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@@H]1CCCN1C ZINC000652344266 411209411 /nfs/dbraw/zinc/20/94/11/411209411.db2.gz BOOXJNFENSERAQ-NWDGAFQWSA-N 1 3 229.368 -0.017 20 0 BBADHO C[NH2+]C[C@](C)(O)CN(C)C[C@@H]1CCCN1C ZINC000652344267 411208861 /nfs/dbraw/zinc/20/88/61/411208861.db2.gz BOOXJNFENSERAQ-RYUDHWBXSA-N 1 3 229.368 -0.017 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@H]1CCCN1C ZINC000652344268 411209070 /nfs/dbraw/zinc/20/90/70/411209070.db2.gz BOOXJNFENSERAQ-VXGBXAGGSA-N 1 3 229.368 -0.017 20 0 BBADHO NC[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC000652352622 487930316 /nfs/dbraw/zinc/93/03/16/487930316.db2.gz GBFBUOCPFAEXRN-NHCYSSNCSA-N 1 3 223.320 -0.064 20 0 BBADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000652352622 487930313 /nfs/dbraw/zinc/93/03/13/487930313.db2.gz GBFBUOCPFAEXRN-NHCYSSNCSA-N 1 3 223.320 -0.064 20 0 BBADHO [NH3+]C[C@]12CCC[C@H]1CN([C@H]1CCNC1=O)C2 ZINC000652352622 487930309 /nfs/dbraw/zinc/93/03/09/487930309.db2.gz GBFBUOCPFAEXRN-NHCYSSNCSA-N 1 3 223.320 -0.064 20 0 BBADHO NC[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000652352623 487930090 /nfs/dbraw/zinc/93/00/90/487930090.db2.gz GBFBUOCPFAEXRN-UMNHJUIQSA-N 1 3 223.320 -0.064 20 0 BBADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000652352623 487930087 /nfs/dbraw/zinc/93/00/87/487930087.db2.gz GBFBUOCPFAEXRN-UMNHJUIQSA-N 1 3 223.320 -0.064 20 0 BBADHO [NH3+]C[C@]12CCC[C@H]1CN([C@@H]1CCNC1=O)C2 ZINC000652352623 487930085 /nfs/dbraw/zinc/93/00/85/487930085.db2.gz GBFBUOCPFAEXRN-UMNHJUIQSA-N 1 3 223.320 -0.064 20 0 BBADHO CN(C)CCn1cc(NC(=O)NCC[NH3+])cn1 ZINC000652612223 411285573 /nfs/dbraw/zinc/28/55/73/411285573.db2.gz LXPGLQBRSPYKTK-UHFFFAOYSA-N 1 3 240.311 -0.475 20 0 BBADHO O=C(N1CCCNCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653043826 411401899 /nfs/dbraw/zinc/40/18/99/411401899.db2.gz CTECQRUWZVHNIT-JQWIXIFHSA-N 1 3 239.319 -0.956 20 0 BBADHO C[C@@H]1CNCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653046947 411402572 /nfs/dbraw/zinc/40/25/72/411402572.db2.gz XPPZMRQMKUMKPE-NXEZZACHSA-N 1 3 228.340 -0.914 20 0 BBADHO C[C@H]1CNCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653046948 411402754 /nfs/dbraw/zinc/40/27/54/411402754.db2.gz XPPZMRQMKUMKPE-UWVGGRQHSA-N 1 3 228.340 -0.914 20 0 BBADHO C[C@H]1CNCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653046949 411402906 /nfs/dbraw/zinc/40/29/06/411402906.db2.gz XPPZMRQMKUMKPE-VHSXEESVSA-N 1 3 228.340 -0.914 20 0 BBADHO C[C@@H]1CNCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653046950 411403093 /nfs/dbraw/zinc/40/30/93/411403093.db2.gz XPPZMRQMKUMKPE-ZJUUUORDSA-N 1 3 228.340 -0.914 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@H](C)N1 ZINC000653050257 411405298 /nfs/dbraw/zinc/40/52/98/411405298.db2.gz MBHAMALKJGNOCE-AXFHLTTASA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)C[C@@H](C)N1 ZINC000653050258 411404817 /nfs/dbraw/zinc/40/48/17/411404817.db2.gz MBHAMALKJGNOCE-GMTAPVOTSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@@H](C)N1 ZINC000653050259 411405005 /nfs/dbraw/zinc/40/50/05/411405005.db2.gz MBHAMALKJGNOCE-MXWKQRLJSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)C[C@H](C)N1 ZINC000653050260 411404864 /nfs/dbraw/zinc/40/48/64/411404864.db2.gz MBHAMALKJGNOCE-OUAUKWLOSA-N 1 3 242.367 -0.526 20 0 BBADHO C[NH+](C)CC[C@H](N)C(=O)N1CCNCC1(C)C ZINC000653053782 411406244 /nfs/dbraw/zinc/40/62/44/411406244.db2.gz JTWPKKUGAUKTQU-JTQLQIEISA-N 1 3 242.367 -0.524 20 0 BBADHO C[NH+](C)CC[C@@H](N)C(=O)N1CCNCC1(C)C ZINC000653053783 411406370 /nfs/dbraw/zinc/40/63/70/411406370.db2.gz JTWPKKUGAUKTQU-SNVBAGLBSA-N 1 3 242.367 -0.524 20 0 BBADHO C[NH+](C)CC[C@@H](N)C(=O)NCCN1CCCC1 ZINC000653105974 409796696 /nfs/dbraw/zinc/79/66/96/409796696.db2.gz OHXBOPKHCVLXRQ-LLVKDONJSA-N 1 3 242.367 -0.523 20 0 BBADHO C[NH+](C)CC[C@H](N)C(=O)NCCN1CCCC1 ZINC000653105975 409797404 /nfs/dbraw/zinc/79/74/04/409797404.db2.gz OHXBOPKHCVLXRQ-NSHDSACASA-N 1 3 242.367 -0.523 20 0 BBADHO CN1CCC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653112370 487687832 /nfs/dbraw/zinc/68/78/32/487687832.db2.gz WTDSSDMXZXNYLI-GHMZBOCLSA-N 1 3 242.367 -0.524 20 0 BBADHO CN1CCC[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653112371 487687318 /nfs/dbraw/zinc/68/73/18/487687318.db2.gz WTDSSDMXZXNYLI-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653112372 487687756 /nfs/dbraw/zinc/68/77/56/487687756.db2.gz WTDSSDMXZXNYLI-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653112373 487687810 /nfs/dbraw/zinc/68/78/10/487687810.db2.gz WTDSSDMXZXNYLI-WDEREUQCSA-N 1 3 242.367 -0.524 20 0 BBADHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N(C)C ZINC000653113133 409821246 /nfs/dbraw/zinc/82/12/46/409821246.db2.gz UGQJCTLKYWSAOX-NHCYSSNCSA-N 1 3 241.335 -0.711 20 0 BBADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N(C)C ZINC000653113134 409822258 /nfs/dbraw/zinc/82/22/58/409822258.db2.gz UGQJCTLKYWSAOX-SCVCMEIPSA-N 1 3 241.335 -0.711 20 0 BBADHO CN(CCNC(=O)[C@H](N)CC[NH+](C)C)C1CC1 ZINC000653113185 409821887 /nfs/dbraw/zinc/82/18/87/409821887.db2.gz VSRQUGITVBPRQV-LLVKDONJSA-N 1 3 242.367 -0.524 20 0 BBADHO CN(CCNC(=O)[C@@H](N)CC[NH+](C)C)C1CC1 ZINC000653113186 409822712 /nfs/dbraw/zinc/82/27/12/409822712.db2.gz VSRQUGITVBPRQV-NSHDSACASA-N 1 3 242.367 -0.524 20 0 BBADHO COCCNCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653127488 409838676 /nfs/dbraw/zinc/83/86/76/409838676.db2.gz CVMWNPRJAXFBRO-LLVKDONJSA-N 1 3 243.351 -0.272 20 0 BBADHO COCCNCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653127489 409839456 /nfs/dbraw/zinc/83/94/56/409839456.db2.gz CVMWNPRJAXFBRO-NSHDSACASA-N 1 3 243.351 -0.272 20 0 BBADHO COCCNCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653127749 409839257 /nfs/dbraw/zinc/83/92/57/409839257.db2.gz ZTKYXMWUMMQAJO-WDEREUQCSA-N 1 3 243.351 -0.144 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H](C)CN1 ZINC000653128646 409840722 /nfs/dbraw/zinc/84/07/22/409840722.db2.gz QCZFBUFBWUOREN-GMTAPVOTSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H](C)CN1 ZINC000653128647 409841486 /nfs/dbraw/zinc/84/14/86/409841486.db2.gz QCZFBUFBWUOREN-MXWKQRLJSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H](C)CN1 ZINC000653128648 409841571 /nfs/dbraw/zinc/84/15/71/409841571.db2.gz QCZFBUFBWUOREN-OUAUKWLOSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H](C)CN1 ZINC000653128649 409840987 /nfs/dbraw/zinc/84/09/87/409840987.db2.gz QCZFBUFBWUOREN-VWYCJHECSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653135548 409854162 /nfs/dbraw/zinc/85/41/62/409854162.db2.gz HYBGLCRRNVZKOM-AXFHLTTASA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1C ZINC000653135549 409853754 /nfs/dbraw/zinc/85/37/54/409853754.db2.gz HYBGLCRRNVZKOM-DCAQKATOSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1C ZINC000653135550 409853778 /nfs/dbraw/zinc/85/37/78/409853778.db2.gz HYBGLCRRNVZKOM-GARJFASQSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653135551 409854612 /nfs/dbraw/zinc/85/46/12/409854612.db2.gz HYBGLCRRNVZKOM-HBNTYKKESA-N 1 3 242.367 -0.526 20 0 BBADHO C[NH+](C)CC[C@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000653148170 409871293 /nfs/dbraw/zinc/87/12/93/409871293.db2.gz QMMJFIFXGAQNQG-JTQLQIEISA-N 1 3 242.367 -0.524 20 0 BBADHO C[NH+](C)CC[C@@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000653148171 409871833 /nfs/dbraw/zinc/87/18/33/409871833.db2.gz QMMJFIFXGAQNQG-SNVBAGLBSA-N 1 3 242.367 -0.524 20 0 BBADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CNCCO1 ZINC000653163265 410109200 /nfs/dbraw/zinc/10/92/00/410109200.db2.gz PCAGHBJIVJPRKD-GARJFASQSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CNCCO1 ZINC000653163266 410109216 /nfs/dbraw/zinc/10/92/16/410109216.db2.gz PCAGHBJIVJPRKD-HBNTYKKESA-N 1 3 241.335 -0.392 20 0 BBADHO O=C(NC[C@H]1CNCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653163427 410109328 /nfs/dbraw/zinc/10/93/28/410109328.db2.gz YCYMDUJHHOCOSB-GHMZBOCLSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653163428 410109359 /nfs/dbraw/zinc/10/93/59/410109359.db2.gz YCYMDUJHHOCOSB-MNOVXSKESA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(NC[C@@H]1CNCCO1)[C@H]1CCC[NH2+]CC1 ZINC000653163429 410108984 /nfs/dbraw/zinc/10/89/84/410108984.db2.gz YCYMDUJHHOCOSB-QWRGUYRKSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(NC[C@H]1CNCCO1)[C@H]1CCC[NH2+]CC1 ZINC000653163430 410109735 /nfs/dbraw/zinc/10/97/35/410109735.db2.gz YCYMDUJHHOCOSB-WDEREUQCSA-N 1 3 241.335 -0.519 20 0 BBADHO CO[C@H](CN)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653169446 410136945 /nfs/dbraw/zinc/13/69/45/410136945.db2.gz XMSSKMSQTFEXKH-SQLBVSGCSA-N 1 3 241.335 -0.310 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653169447 410137071 /nfs/dbraw/zinc/13/70/71/410137071.db2.gz XMSSKMSQTFEXKH-YZRBJQDESA-N 1 3 241.335 -0.310 20 0 BBADHO C[NH2+]Cc1ccccc1CNC(=O)CN ZINC000653211358 410166508 /nfs/dbraw/zinc/16/65/08/410166508.db2.gz VPJONFJYBIREBN-UHFFFAOYSA-N 1 3 207.277 -0.019 20 0 BBADHO COCCNCC(=O)NCCC1(C[NH3+])CC1 ZINC000653215889 491128272 /nfs/dbraw/zinc/12/82/72/491128272.db2.gz HLLCENIENYYQDM-UHFFFAOYSA-N 1 3 229.324 -0.532 20 0 BBADHO CC1(OCC(=O)NCCC2(C[NH3+])CC2)CNC1 ZINC000653221107 410168847 /nfs/dbraw/zinc/16/88/47/410168847.db2.gz IBKLYELIBLWRLL-UHFFFAOYSA-N 1 3 241.335 -0.390 20 0 BBADHO [NH3+]CC1(CCNC(=O)CCOC2CNC2)CC1 ZINC000653221188 410168764 /nfs/dbraw/zinc/16/87/64/410168764.db2.gz LVSNONDMCYNFBC-UHFFFAOYSA-N 1 3 241.335 -0.390 20 0 BBADHO [NH3+]CC1(CCNC(=O)CNC2CC2)CC1 ZINC000653221395 410171630 /nfs/dbraw/zinc/17/16/30/410171630.db2.gz VQSKBXWVNJOWCU-UHFFFAOYSA-N 1 3 211.309 -0.016 20 0 BBADHO NCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653226404 582803062 /nfs/dbraw/zinc/80/30/62/582803062.db2.gz YZQBQQRMXPRFQP-UHFFFAOYSA-N 1 3 211.240 -0.141 20 0 BBADHO CCO[C@@H]1CN(C(=O)C(C)(C)N)C[C@H]1C[NH3+] ZINC000653243369 410183273 /nfs/dbraw/zinc/18/32/73/410183273.db2.gz ANJKXDMNFNUMSK-RKDXNWHRSA-N 1 3 229.324 -0.454 20 0 BBADHO CCO[C@@H]1CN(C(=O)CNC)C[C@H]1C[NH3+] ZINC000653243534 410183297 /nfs/dbraw/zinc/18/32/97/410183297.db2.gz GGAPZXDKFAWEPJ-RKDXNWHRSA-N 1 3 215.297 -0.972 20 0 BBADHO CCO[C@@H]1CN(C(=O)C2(N)CC2)C[C@H]1C[NH3+] ZINC000653243552 410183338 /nfs/dbraw/zinc/18/33/38/410183338.db2.gz HAUUNZRXPRKABL-RKDXNWHRSA-N 1 3 227.308 -0.700 20 0 BBADHO CCO[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1C[NH3+] ZINC000653243709 410183443 /nfs/dbraw/zinc/18/34/43/410183443.db2.gz KZJAHJIHKHRICN-DJLDLDEBSA-N 1 3 215.297 -0.844 20 0 BBADHO CCO[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C[NH3+] ZINC000653243710 410183363 /nfs/dbraw/zinc/18/33/63/410183363.db2.gz KZJAHJIHKHRICN-IWSPIJDZSA-N 1 3 215.297 -0.844 20 0 BBADHO CCO[C@@H]1CN(C(=O)[C@H](N)C(C)C)C[C@H]1C[NH3+] ZINC000653244070 410183614 /nfs/dbraw/zinc/18/36/14/410183614.db2.gz WWLBGBKJWKTQJB-GMTAPVOTSA-N 1 3 243.351 -0.208 20 0 BBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)C(C)C)C[C@H]1C[NH3+] ZINC000653244071 410183147 /nfs/dbraw/zinc/18/31/47/410183147.db2.gz WWLBGBKJWKTQJB-MXWKQRLJSA-N 1 3 243.351 -0.208 20 0 BBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CC)C[C@H]1C[NH3+] ZINC000653244120 410183211 /nfs/dbraw/zinc/18/32/11/410183211.db2.gz XWSVIPJVZIBGJR-KXUCPTDWSA-N 1 3 229.324 -0.454 20 0 BBADHO CCO[C@@H]1CN(C(=O)C2(N)CCC2)C[C@H]1C[NH3+] ZINC000653247455 410200518 /nfs/dbraw/zinc/20/05/18/410200518.db2.gz BDORWBVMSIDEDI-NXEZZACHSA-N 1 3 241.335 -0.310 20 0 BBADHO CCO[C@@H]1CN(C(=O)CNC2CC2)C[C@H]1C[NH3+] ZINC000653247909 410202797 /nfs/dbraw/zinc/20/27/97/410202797.db2.gz XTFFPLZDPCWXGQ-MWLCHTKSSA-N 1 3 241.335 -0.439 20 0 BBADHO CCO[C@@H]1CN(C(=O)[C@H](N)CC)C[C@H]1C[NH3+] ZINC000653247916 410202132 /nfs/dbraw/zinc/20/21/32/410202132.db2.gz XWSVIPJVZIBGJR-OPRDCNLKSA-N 1 3 229.324 -0.454 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256285 410237548 /nfs/dbraw/zinc/23/75/48/410237548.db2.gz KJPLOSQHWRLQMV-ZJUUUORDSA-N 1 3 211.309 -0.079 20 0 BBADHO COCCNCC(=O)NCCC1CC[NH2+]CC1 ZINC000653267706 410317208 /nfs/dbraw/zinc/31/72/08/410317208.db2.gz UZBGAIRJGNNJBP-UHFFFAOYSA-N 1 3 243.351 -0.272 20 0 BBADHO NC1(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000653267903 410318805 /nfs/dbraw/zinc/31/88/05/410318805.db2.gz YHIRHGFELLDRKD-UHFFFAOYSA-N 1 3 211.309 -0.016 20 0 BBADHO CN(CCN1CCCCC1)C(=O)COCC[NH3+] ZINC000653274374 410554392 /nfs/dbraw/zinc/55/43/92/410554392.db2.gz DXWOFUOJQFSRLB-UHFFFAOYSA-N 1 3 243.351 -0.094 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)COC1(C)CNC1 ZINC000653444894 411256261 /nfs/dbraw/zinc/25/62/61/411256261.db2.gz ZKXIODKDCZPRLX-NXEZZACHSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)COC1(C)CNC1 ZINC000653444895 411255776 /nfs/dbraw/zinc/25/57/76/411255776.db2.gz ZKXIODKDCZPRLX-UWVGGRQHSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@H]1C[C@H]([NH3+])CCN1C(=O)COC1(C)CNC1 ZINC000653444896 411255834 /nfs/dbraw/zinc/25/58/34/411255834.db2.gz ZKXIODKDCZPRLX-VHSXEESVSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)COC1(C)CNC1 ZINC000653444897 411256532 /nfs/dbraw/zinc/25/65/32/411256532.db2.gz ZKXIODKDCZPRLX-ZJUUUORDSA-N 1 3 241.335 -0.297 20 0 BBADHO CN(C)[C@H]1CN(C[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000653684902 411178037 /nfs/dbraw/zinc/17/80/37/411178037.db2.gz HDYRHCCKNYPVFN-SRVKXCTJSA-N 1 3 227.352 -0.313 20 0 BBADHO CN(C)[C@H]1CN(C[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000653684902 411178035 /nfs/dbraw/zinc/17/80/35/411178035.db2.gz HDYRHCCKNYPVFN-SRVKXCTJSA-N 1 3 227.352 -0.313 20 0 BBADHO CN(C)[C@H]1CN(C[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000653684903 411178246 /nfs/dbraw/zinc/17/82/46/411178246.db2.gz HDYRHCCKNYPVFN-WOPDTQHZSA-N 1 3 227.352 -0.313 20 0 BBADHO CN(C)[C@H]1CN(C[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000653684903 411178244 /nfs/dbraw/zinc/17/82/44/411178244.db2.gz HDYRHCCKNYPVFN-WOPDTQHZSA-N 1 3 227.352 -0.313 20 0 BBADHO CN(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000655094739 411494486 /nfs/dbraw/zinc/49/44/86/411494486.db2.gz WPKFSNRMJYRICO-DCAQKATOSA-N 1 3 241.335 -0.929 20 0 BBADHO CN(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000655094739 411494484 /nfs/dbraw/zinc/49/44/84/411494484.db2.gz WPKFSNRMJYRICO-DCAQKATOSA-N 1 3 241.335 -0.929 20 0 BBADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000655094741 411494076 /nfs/dbraw/zinc/49/40/76/411494076.db2.gz WPKFSNRMJYRICO-VWYCJHECSA-N 1 3 241.335 -0.929 20 0 BBADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000655094741 411494074 /nfs/dbraw/zinc/49/40/74/411494074.db2.gz WPKFSNRMJYRICO-VWYCJHECSA-N 1 3 241.335 -0.929 20 0 BBADHO CN1CCN(C(=O)CC[NH2+]C2CC2)[C@H](CN)C1 ZINC000655419059 410226941 /nfs/dbraw/zinc/22/69/41/410226941.db2.gz KSFXXNLAPCXGAV-LLVKDONJSA-N 1 3 240.351 -0.770 20 0 BBADHO CN1CCN(C(=O)CC[NH2+]C2CC2)[C@@H](CN)C1 ZINC000655419060 410227378 /nfs/dbraw/zinc/22/73/78/410227378.db2.gz KSFXXNLAPCXGAV-NSHDSACASA-N 1 3 240.351 -0.770 20 0 BBADHO C[NH2+][C@@H](C)C(=O)NC1CCN(CCOC)CC1 ZINC000655445899 410268037 /nfs/dbraw/zinc/26/80/37/410268037.db2.gz RBEGMXIZJCLRDF-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO CN[C@@H](C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000655446325 410269010 /nfs/dbraw/zinc/26/90/10/410269010.db2.gz ODPBOQUSXMHZHX-VIFPVBQESA-N 1 3 239.323 -0.009 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000655458889 487472204 /nfs/dbraw/zinc/47/22/04/487472204.db2.gz WHDMIKWBAAASHD-BBBLOLIVSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000655458890 487472488 /nfs/dbraw/zinc/47/24/88/487472488.db2.gz WHDMIKWBAAASHD-KXUCPTDWSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000655458891 487472531 /nfs/dbraw/zinc/47/25/31/487472531.db2.gz WHDMIKWBAAASHD-OPRDCNLKSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000655458892 487471971 /nfs/dbraw/zinc/47/19/71/487471971.db2.gz WHDMIKWBAAASHD-UTLUCORTSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000655460351 410572577 /nfs/dbraw/zinc/57/25/77/410572577.db2.gz LNSNBPLZTZYIEG-CIUDSAMLSA-N 1 3 217.288 -0.247 20 0 BBADHO O=C(CC[NH2+]C1CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000655462956 410634332 /nfs/dbraw/zinc/63/43/32/410634332.db2.gz AAAUZIHZDARIEJ-WPRPVWTQSA-N 1 3 229.299 -0.055 20 0 BBADHO CN[C@@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000655463611 410644652 /nfs/dbraw/zinc/64/46/52/410644652.db2.gz SBAFOAFBFGCQBG-DTWKUNHWSA-N 1 3 211.309 -0.147 20 0 BBADHO CN[C@@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000655463614 410644563 /nfs/dbraw/zinc/64/45/63/410644563.db2.gz SBAFOAFBFGCQBG-IUCAKERBSA-N 1 3 211.309 -0.147 20 0 BBADHO CCO[C@@H]1CN(C(=O)[C@H](C)NC)C[C@H]1C[NH3+] ZINC000655485717 410779555 /nfs/dbraw/zinc/77/95/55/410779555.db2.gz JEPFMVJOYBWDRG-IVZWLZJFSA-N 1 3 229.324 -0.584 20 0 BBADHO COCCNCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489584 410797060 /nfs/dbraw/zinc/79/70/60/410797060.db2.gz VDJUMIPJKQCLRL-PHIMTYICSA-N 1 3 243.351 -0.321 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655504633 411115382 /nfs/dbraw/zinc/11/53/82/411115382.db2.gz GOUMUFGRKOHAST-NTSWFWBYSA-N 1 3 227.230 -0.152 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655504634 411115367 /nfs/dbraw/zinc/11/53/67/411115367.db2.gz GOUMUFGRKOHAST-PHDIDXHHSA-N 1 3 227.230 -0.152 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655504635 411115104 /nfs/dbraw/zinc/11/51/04/411115104.db2.gz GOUMUFGRKOHAST-RITPCOANSA-N 1 3 227.230 -0.152 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655504636 411115083 /nfs/dbraw/zinc/11/50/83/411115083.db2.gz GOUMUFGRKOHAST-WDSKDSINSA-N 1 3 227.230 -0.152 20 0 BBADHO NC[C@@H](NC(=O)C1CC[NH2+]CC1)C(F)(F)F ZINC000655504769 411115228 /nfs/dbraw/zinc/11/52/28/411115228.db2.gz HPEXSPYOUVBXPU-SSDOTTSWSA-N 1 3 239.241 -0.008 20 0 BBADHO NC[C@H](NC(=O)C1CC[NH2+]CC1)C(F)(F)F ZINC000655504770 411115398 /nfs/dbraw/zinc/11/53/98/411115398.db2.gz HPEXSPYOUVBXPU-ZETCQYMHSA-N 1 3 239.241 -0.008 20 0 BBADHO NC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000655504783 411114996 /nfs/dbraw/zinc/11/49/96/411114996.db2.gz IBOZEXLNUFFIPZ-RNFRBKRXSA-N 1 3 239.241 -0.008 20 0 BBADHO NC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000655504784 411115071 /nfs/dbraw/zinc/11/50/71/411115071.db2.gz IBOZEXLNUFFIPZ-RQJHMYQMSA-N 1 3 239.241 -0.008 20 0 BBADHO NC1(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655505166 487770376 /nfs/dbraw/zinc/77/03/76/487770376.db2.gz QSTPQIHKCIRORW-BYPYZUCNSA-N 1 3 211.187 -0.517 20 0 BBADHO NC1(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655505167 487770297 /nfs/dbraw/zinc/77/02/97/487770297.db2.gz QSTPQIHKCIRORW-SCSAIBSYSA-N 1 3 211.187 -0.517 20 0 BBADHO COCCNCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655505200 487770390 /nfs/dbraw/zinc/77/03/90/487770390.db2.gz RZKUKHKPFUEMGT-LURJTMIESA-N 1 3 243.229 -0.772 20 0 BBADHO COCCNCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655505201 487770412 /nfs/dbraw/zinc/77/04/12/487770412.db2.gz RZKUKHKPFUEMGT-ZCFIWIBFSA-N 1 3 243.229 -0.772 20 0 BBADHO C[NH2+]CCCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655505321 411115796 /nfs/dbraw/zinc/11/57/96/411115796.db2.gz WLYFUOPQVZHVEK-LURJTMIESA-N 1 3 227.230 -0.008 20 0 BBADHO C[NH2+]CCCC(=O)N[C@H](CN)C(F)(F)F ZINC000655505322 411115737 /nfs/dbraw/zinc/11/57/37/411115737.db2.gz WLYFUOPQVZHVEK-ZCFIWIBFSA-N 1 3 227.230 -0.008 20 0 BBADHO C[C@@]1(C(=O)N[C@H](CN)C(F)(F)F)CC[NH2+]C1 ZINC000655505329 411115671 /nfs/dbraw/zinc/11/56/71/411115671.db2.gz WUELKUZPRZRLBK-HTRCEHHLSA-N 1 3 239.241 -0.008 20 0 BBADHO C[C@@]1(C(=O)N[C@@H](CN)C(F)(F)F)CC[NH2+]C1 ZINC000655505330 411115721 /nfs/dbraw/zinc/11/57/21/411115721.db2.gz WUELKUZPRZRLBK-POYBYMJQSA-N 1 3 239.241 -0.008 20 0 BBADHO C[C@]1(C(=O)N[C@H](CN)C(F)(F)F)CC[NH2+]C1 ZINC000655505331 411115755 /nfs/dbraw/zinc/11/57/55/411115755.db2.gz WUELKUZPRZRLBK-SVRRBLITSA-N 1 3 239.241 -0.008 20 0 BBADHO C[C@]1(C(=O)N[C@@H](CN)C(F)(F)F)CC[NH2+]C1 ZINC000655505332 411115746 /nfs/dbraw/zinc/11/57/46/411115746.db2.gz WUELKUZPRZRLBK-XPUUQOCRSA-N 1 3 239.241 -0.008 20 0 BBADHO NC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655505361 411115711 /nfs/dbraw/zinc/11/57/11/411115711.db2.gz XJXZYKCEDDZHMF-NTSWFWBYSA-N 1 3 225.214 -0.256 20 0 BBADHO NC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655505364 411115665 /nfs/dbraw/zinc/11/56/65/411115665.db2.gz XJXZYKCEDDZHMF-WDSKDSINSA-N 1 3 225.214 -0.256 20 0 BBADHO C[C@@H]([NH3+])CC(=O)N[C@H](CN)C(F)(F)F ZINC000655505387 411115801 /nfs/dbraw/zinc/11/58/01/411115801.db2.gz XXZGGWWWYXKUGX-RFZPGFLSSA-N 1 3 213.203 -0.271 20 0 BBADHO C[C@@H]([NH3+])CC(=O)N[C@@H](CN)C(F)(F)F ZINC000655505388 411115779 /nfs/dbraw/zinc/11/57/79/411115779.db2.gz XXZGGWWWYXKUGX-UHNVWZDZSA-N 1 3 213.203 -0.271 20 0 BBADHO CC(C)(C[NH3+])C(=O)N[C@H](CN)C(F)(F)F ZINC000655505389 411115806 /nfs/dbraw/zinc/11/58/06/411115806.db2.gz YASAFKOEBDADSA-RXMQYKEDSA-N 1 3 227.230 -0.023 20 0 BBADHO CC(C)(C[NH3+])C(=O)N[C@@H](CN)C(F)(F)F ZINC000655505390 411115658 /nfs/dbraw/zinc/11/56/58/411115658.db2.gz YASAFKOEBDADSA-YFKPBYRVSA-N 1 3 227.230 -0.023 20 0 BBADHO NC[C@@H](NC(=O)CCC[NH3+])C(F)(F)F ZINC000655505427 490106753 /nfs/dbraw/zinc/10/67/53/490106753.db2.gz ZQNMBAKLJFMSQH-RXMQYKEDSA-N 1 3 213.203 -0.269 20 0 BBADHO NC[C@H](NC(=O)CCC[NH3+])C(F)(F)F ZINC000655505428 490106706 /nfs/dbraw/zinc/10/67/06/490106706.db2.gz ZQNMBAKLJFMSQH-YFKPBYRVSA-N 1 3 213.203 -0.269 20 0 BBADHO NC[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000655515130 490175212 /nfs/dbraw/zinc/17/52/12/490175212.db2.gz HDNVZOMPWUVPLQ-RNFRBKRXSA-N 1 3 239.241 -0.008 20 0 BBADHO NC[C@H](NC(=O)C[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000655515131 490174710 /nfs/dbraw/zinc/17/47/10/490174710.db2.gz HDNVZOMPWUVPLQ-RQJHMYQMSA-N 1 3 239.241 -0.008 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN)C(F)(F)F ZINC000655515191 411182513 /nfs/dbraw/zinc/18/25/13/411182513.db2.gz IXSCPQBJLQPLAU-ACZMJKKPSA-N 1 3 239.241 -0.010 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN)C(F)(F)F ZINC000655515192 411182721 /nfs/dbraw/zinc/18/27/21/411182721.db2.gz IXSCPQBJLQPLAU-LYFYHCNISA-N 1 3 239.241 -0.010 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN)C(F)(F)F ZINC000655515193 411182862 /nfs/dbraw/zinc/18/28/62/411182862.db2.gz IXSCPQBJLQPLAU-RRKCRQDMSA-N 1 3 239.241 -0.010 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN)C(F)(F)F ZINC000655515194 411182348 /nfs/dbraw/zinc/18/23/48/411182348.db2.gz IXSCPQBJLQPLAU-XVMARJQXSA-N 1 3 239.241 -0.010 20 0 BBADHO C[NH2+]CCC(=O)N[C@H](CN)C(F)(F)F ZINC000655515498 411182910 /nfs/dbraw/zinc/18/29/10/411182910.db2.gz KQALPNIMZKTBAC-RXMQYKEDSA-N 1 3 213.203 -0.398 20 0 BBADHO C[NH2+]CCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655515500 411182828 /nfs/dbraw/zinc/18/28/28/411182828.db2.gz KQALPNIMZKTBAC-YFKPBYRVSA-N 1 3 213.203 -0.398 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655516283 487897580 /nfs/dbraw/zinc/89/75/80/487897580.db2.gz RPQMFJDJILGNTN-HCWXCVPCSA-N 1 3 227.230 -0.025 20 0 BBADHO C[C@@H](C(=O)N[C@H](CN)C(F)(F)F)[C@H](C)[NH3+] ZINC000655516284 487898175 /nfs/dbraw/zinc/89/81/75/487898175.db2.gz RPQMFJDJILGNTN-NGJCXOISSA-N 1 3 227.230 -0.025 20 0 BBADHO C[C@@H](C(=O)N[C@@H](CN)C(F)(F)F)[C@H](C)[NH3+] ZINC000655516285 487897692 /nfs/dbraw/zinc/89/76/92/487897692.db2.gz RPQMFJDJILGNTN-SRQIZXRXSA-N 1 3 227.230 -0.025 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655516286 487897472 /nfs/dbraw/zinc/89/74/72/487897472.db2.gz RPQMFJDJILGNTN-ZLUOBGJFSA-N 1 3 227.230 -0.025 20 0 BBADHO [NH3+]C[C@H](NC(=O)CNC1CC1)C(F)(F)F ZINC000655516287 487898097 /nfs/dbraw/zinc/89/80/97/487898097.db2.gz RPVUAUAFPDCMMT-LURJTMIESA-N 1 3 225.214 -0.256 20 0 BBADHO [NH3+]C[C@@H](NC(=O)CNC1CC1)C(F)(F)F ZINC000655516288 487897335 /nfs/dbraw/zinc/89/73/35/487897335.db2.gz RPVUAUAFPDCMMT-ZCFIWIBFSA-N 1 3 225.214 -0.256 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@H](CN)C(F)(F)F ZINC000655516748 411186604 /nfs/dbraw/zinc/18/66/04/411186604.db2.gz XZOFTNQBEDZQCN-NTSWFWBYSA-N 1 3 243.229 -0.644 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N[C@H](CN)C(F)(F)F ZINC000655516749 411186582 /nfs/dbraw/zinc/18/65/82/411186582.db2.gz XZOFTNQBEDZQCN-PHDIDXHHSA-N 1 3 243.229 -0.644 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N[C@@H](CN)C(F)(F)F ZINC000655516751 411186913 /nfs/dbraw/zinc/18/69/13/411186913.db2.gz XZOFTNQBEDZQCN-RITPCOANSA-N 1 3 243.229 -0.644 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N[C@@H](CN)C(F)(F)F ZINC000655516754 411186957 /nfs/dbraw/zinc/18/69/57/411186957.db2.gz XZOFTNQBEDZQCN-WDSKDSINSA-N 1 3 243.229 -0.644 20 0 BBADHO CC1(C(=O)N[C@H](CN)C(F)(F)F)C[NH2+]C1 ZINC000655517836 487903889 /nfs/dbraw/zinc/90/38/89/487903889.db2.gz GWBYUXKOWALLHG-RXMQYKEDSA-N 1 3 225.214 -0.398 20 0 BBADHO CC1(C(=O)N[C@@H](CN)C(F)(F)F)C[NH2+]C1 ZINC000655517837 487903275 /nfs/dbraw/zinc/90/32/75/487903275.db2.gz GWBYUXKOWALLHG-YFKPBYRVSA-N 1 3 225.214 -0.398 20 0 BBADHO CN(C)CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922826 411157945 /nfs/dbraw/zinc/15/79/45/411157945.db2.gz SSCLUCYTGOFZCC-LURJTMIESA-N 1 3 242.245 -0.263 20 0 BBADHO CN(C)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922830 411157939 /nfs/dbraw/zinc/15/79/39/411157939.db2.gz SSCLUCYTGOFZCC-ZCFIWIBFSA-N 1 3 242.245 -0.263 20 0 BBADHO O[C@@H]1C[C@H]2CN(C[C@@H]3CC[NH2+]C3)CCN2C1 ZINC000655945939 411161288 /nfs/dbraw/zinc/16/12/88/411161288.db2.gz ICLBWZDJIAYIQI-GRYCIOLGSA-N 1 3 225.336 -0.653 20 0 BBADHO O[C@@H]1C[C@H]2CN(C[C@H]3CC[NH2+]C3)CCN2C1 ZINC000655945940 411161329 /nfs/dbraw/zinc/16/13/29/411161329.db2.gz ICLBWZDJIAYIQI-SDDRHHMPSA-N 1 3 225.336 -0.653 20 0 BBADHO C[C@@H](O)CN(CCN1CC[NH2+]CC1)C1CC1 ZINC000655948969 411161229 /nfs/dbraw/zinc/16/12/29/411161229.db2.gz JFMFUOOPGQIPCX-LLVKDONJSA-N 1 3 227.352 -0.263 20 0 BBADHO C[C@H](O)CN(CCN1CC[NH2+]CC1)C1CC1 ZINC000655948970 411161239 /nfs/dbraw/zinc/16/12/39/411161239.db2.gz JFMFUOOPGQIPCX-NSHDSACASA-N 1 3 227.352 -0.263 20 0 BBADHO C[C@@H](O)CN(CCOCC[NH3+])C1CC1 ZINC000655949315 411161552 /nfs/dbraw/zinc/16/15/52/411161552.db2.gz TXYKJSUBMWUQPW-SECBINFHSA-N 1 3 202.298 -0.193 20 0 BBADHO C[C@H](O)CN(CCOCC[NH3+])C1CC1 ZINC000655949316 411161486 /nfs/dbraw/zinc/16/14/86/411161486.db2.gz TXYKJSUBMWUQPW-VIFPVBQESA-N 1 3 202.298 -0.193 20 0 BBADHO CC(C)([NH3+])CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656193884 411199876 /nfs/dbraw/zinc/19/98/76/411199876.db2.gz WXOHWINZWUCPIQ-VHSXEESVSA-N 1 3 213.325 -0.526 20 0 BBADHO C[C@]1(CN2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]C1 ZINC000656193947 411199232 /nfs/dbraw/zinc/19/92/32/411199232.db2.gz ZIGUTXLATYUENI-XQQFMLRXSA-N 1 3 239.363 -0.263 20 0 BBADHO C[C@@]1(CN2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]C1 ZINC000656193948 411200075 /nfs/dbraw/zinc/20/00/75/411200075.db2.gz ZIGUTXLATYUENI-YNEHKIRRSA-N 1 3 239.363 -0.263 20 0 BBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(N)=O ZINC000656540370 411293813 /nfs/dbraw/zinc/29/38/13/411293813.db2.gz GTSZPYYYUACELI-VIFPVBQESA-N 1 3 216.329 -0.073 20 0 BBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(N)=O ZINC000656540370 411293810 /nfs/dbraw/zinc/29/38/10/411293810.db2.gz GTSZPYYYUACELI-VIFPVBQESA-N 1 3 216.329 -0.073 20 0 BBADHO [NH3+]CCCN1CC[C@H](Cn2ccnn2)C1 ZINC000656787702 411365591 /nfs/dbraw/zinc/36/55/91/411365591.db2.gz SFLSCWHYFXFUEC-JTQLQIEISA-N 1 3 209.297 -0.051 20 0 BBADHO [NH3+]CCCN1CC[C@@H](Cn2ccnn2)C1 ZINC000656787703 411365957 /nfs/dbraw/zinc/36/59/57/411365957.db2.gz SFLSCWHYFXFUEC-SNVBAGLBSA-N 1 3 209.297 -0.051 20 0 BBADHO C[C@H](Cn1cncn1)[NH2+]CCOCCN(C)C ZINC000657988280 487512616 /nfs/dbraw/zinc/51/26/16/487512616.db2.gz ZKZAUVYBHWVTIJ-LLVKDONJSA-N 1 3 241.339 -0.166 20 0 BBADHO C[C@@H](Cn1cncn1)[NH2+]CCOCCN(C)C ZINC000657988281 487512875 /nfs/dbraw/zinc/51/28/75/487512875.db2.gz ZKZAUVYBHWVTIJ-NSHDSACASA-N 1 3 241.339 -0.166 20 0 BBADHO NC1(C(=O)NCC2C[NH2+]C2)CC2(CCC2)C1 ZINC000659305829 411391725 /nfs/dbraw/zinc/39/17/25/411391725.db2.gz KRGZGKWKLOQCLI-UHFFFAOYSA-N 1 3 223.320 -0.016 20 0 BBADHO COC[C@]1(CNC(=O)CNC(C)C)CCC[NH2+]1 ZINC000659309538 411391782 /nfs/dbraw/zinc/39/17/82/411391782.db2.gz YSEXIOSUTYSYDA-GFCCVEGCSA-N 1 3 243.351 -0.131 20 0 BBADHO COC[C@@]1(CNC(=O)CNC(C)C)CCC[NH2+]1 ZINC000659309539 411391891 /nfs/dbraw/zinc/39/18/91/411391891.db2.gz YSEXIOSUTYSYDA-LBPRGKRZSA-N 1 3 243.351 -0.131 20 0 BBADHO CC(C)[NH2+]CC(=O)NC[C@H]1CNCCO1 ZINC000659322492 411394240 /nfs/dbraw/zinc/39/42/40/411394240.db2.gz LWSQRIRUCUQISU-SECBINFHSA-N 1 3 215.297 -0.911 20 0 BBADHO CC(C)[NH2+]CC(=O)NC[C@@H]1CNCCO1 ZINC000659322495 411394617 /nfs/dbraw/zinc/39/46/17/411394617.db2.gz LWSQRIRUCUQISU-VIFPVBQESA-N 1 3 215.297 -0.911 20 0 BBADHO C[NH2+][C@@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659385948 411408869 /nfs/dbraw/zinc/40/88/69/411408869.db2.gz RMBRFJZIBLLQFJ-XLPZGREQSA-N 1 3 203.261 -0.508 20 0 BBADHO CC(C)[NH2+]CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659386058 411408906 /nfs/dbraw/zinc/40/89/06/411408906.db2.gz UCJDIDNXIFRSQO-RKDXNWHRSA-N 1 3 217.288 -0.118 20 0 BBADHO CC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)C[NH2+]C1 ZINC000659386819 411408403 /nfs/dbraw/zinc/40/84/03/411408403.db2.gz HXWMZSGVNRXZNJ-HTQZYQBOSA-N 1 3 215.272 -0.506 20 0 BBADHO N[C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[C@H]1F ZINC000659388285 487587365 /nfs/dbraw/zinc/58/73/65/487587365.db2.gz AERYOHPCYQPOLZ-RKDXNWHRSA-N 1 3 215.272 -0.364 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[C@H]1F ZINC000659388446 411409661 /nfs/dbraw/zinc/40/96/61/411409661.db2.gz HKUVWOUXPOSGIV-BWZBUEFSSA-N 1 3 201.245 -0.754 20 0 BBADHO N[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@H]1F ZINC000659388574 411410486 /nfs/dbraw/zinc/41/04/86/411410486.db2.gz KKQJPIFRBSMSIS-NXEZZACHSA-N 1 3 245.298 -0.737 20 0 BBADHO CC1(OCC(=O)N2CC[C@@H](F)[C@H](N)C2)C[NH2+]C1 ZINC000659388583 411410332 /nfs/dbraw/zinc/41/03/32/411410332.db2.gz KNWUZTPLMQLAJB-RKDXNWHRSA-N 1 3 245.298 -0.737 20 0 BBADHO CC(C)(C[NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388635 411410368 /nfs/dbraw/zinc/41/03/68/411410368.db2.gz LNQGIAOAANXTKZ-HTQZYQBOSA-N 1 3 217.288 -0.131 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000659388910 411410461 /nfs/dbraw/zinc/41/04/61/411410461.db2.gz NRQKXXVAPOVMEI-HLTSFMKQSA-N 1 3 215.272 -0.364 20 0 BBADHO C[C@@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H](C)[NH3+] ZINC000659388968 411410355 /nfs/dbraw/zinc/41/03/55/411410355.db2.gz OGFAHXBRABGVOJ-BZNPZCIMSA-N 1 3 217.288 -0.133 20 0 BBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388969 411409773 /nfs/dbraw/zinc/40/97/73/411409773.db2.gz OGFAHXBRABGVOJ-FNCVBFRFSA-N 1 3 217.288 -0.133 20 0 BBADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388970 411404383 /nfs/dbraw/zinc/40/43/83/411404383.db2.gz OGFAHXBRABGVOJ-JQCXWYLXSA-N 1 3 217.288 -0.133 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388971 411404691 /nfs/dbraw/zinc/40/46/91/411404691.db2.gz OGFAHXBRABGVOJ-RBXMUDONSA-N 1 3 217.288 -0.133 20 0 BBADHO C[C@H](C[NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388972 411404978 /nfs/dbraw/zinc/40/49/78/411404978.db2.gz OGJSLLHVERUXDD-BWZBUEFSSA-N 1 3 203.261 -0.521 20 0 BBADHO C[C@@H](C[NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388973 411405274 /nfs/dbraw/zinc/40/52/74/411405274.db2.gz OGJSLLHVERUXDD-XLPZGREQSA-N 1 3 203.261 -0.521 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389237 411410112 /nfs/dbraw/zinc/41/01/12/411410112.db2.gz QJBQUJSXGCKWDM-DJLDLDEBSA-N 1 3 217.288 -0.260 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389238 411410683 /nfs/dbraw/zinc/41/06/83/411410683.db2.gz QJBQUJSXGCKWDM-IWSPIJDZSA-N 1 3 217.288 -0.260 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000659389261 411410127 /nfs/dbraw/zinc/41/01/27/411410127.db2.gz ROSLQBJCDUODES-OPRDCNLKSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]C1 ZINC000659389425 411410531 /nfs/dbraw/zinc/41/05/31/411410531.db2.gz UKPLUJSRLFBKOK-FXPVBKGRSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]C1 ZINC000659389426 411410155 /nfs/dbraw/zinc/41/01/55/411410155.db2.gz UKPLUJSRLFBKOK-KKZNHRDASA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389582 487589877 /nfs/dbraw/zinc/58/98/77/487589877.db2.gz WZWAZXLYTNJYOB-AXTSPUMRSA-N 1 3 229.299 -0.118 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389740 411408319 /nfs/dbraw/zinc/40/83/19/411408319.db2.gz WZWAZXLYTNJYOB-SGIHWFKDSA-N 1 3 229.299 -0.118 20 0 BBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389741 411408564 /nfs/dbraw/zinc/40/85/64/411408564.db2.gz WZWAZXLYTNJYOB-UTINFBMNSA-N 1 3 229.299 -0.118 20 0 BBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389742 411408591 /nfs/dbraw/zinc/40/85/91/411408591.db2.gz WZWAZXLYTNJYOB-ZYUZMQFOSA-N 1 3 229.299 -0.118 20 0 BBADHO CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389744 411408127 /nfs/dbraw/zinc/40/81/27/411408127.db2.gz XFIWCNMKOHCCEH-HLTSFMKQSA-N 1 3 229.299 -0.118 20 0 BBADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389745 411408952 /nfs/dbraw/zinc/40/89/52/411408952.db2.gz XFIWCNMKOHCCEH-IWSPIJDZSA-N 1 3 229.299 -0.118 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000659425845 411413467 /nfs/dbraw/zinc/41/34/67/411413467.db2.gz OSFORBPUPVGHGV-SECBINFHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000659425846 411413439 /nfs/dbraw/zinc/41/34/39/411413439.db2.gz OSFORBPUPVGHGV-VIFPVBQESA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000659441372 411415408 /nfs/dbraw/zinc/41/54/08/411415408.db2.gz SNQIHXKEVJBTDD-NXEZZACHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000659441373 411415581 /nfs/dbraw/zinc/41/55/81/411415581.db2.gz SNQIHXKEVJBTDD-UWVGGRQHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000659441374 411415510 /nfs/dbraw/zinc/41/55/10/411415510.db2.gz SNQIHXKEVJBTDD-VHSXEESVSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000659441375 411415597 /nfs/dbraw/zinc/41/55/97/411415597.db2.gz SNQIHXKEVJBTDD-ZJUUUORDSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)NCCN(C)CCOC ZINC000659448584 411416294 /nfs/dbraw/zinc/41/62/94/411416294.db2.gz FMNRDLXFBFPMNA-JTQLQIEISA-N 1 3 246.355 -0.528 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)NCCN(C)CCOC ZINC000659448585 411416350 /nfs/dbraw/zinc/41/63/50/411416350.db2.gz FMNRDLXFBFPMNA-SNVBAGLBSA-N 1 3 246.355 -0.528 20 0 BBADHO COCCN(C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659448669 411416234 /nfs/dbraw/zinc/41/62/34/411416234.db2.gz JHYIETYHRXCMBQ-JTQLQIEISA-N 1 3 244.339 -0.774 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)NCCN(C)C1CC1 ZINC000659454898 411416536 /nfs/dbraw/zinc/41/65/36/411416536.db2.gz PPJUSRFFSKQGNK-SECBINFHSA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000659454899 411416570 /nfs/dbraw/zinc/41/65/70/411416570.db2.gz PPJUSRFFSKQGNK-VIFPVBQESA-N 1 3 228.340 -0.012 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)NCCOCCN(C)C ZINC000659484719 411419963 /nfs/dbraw/zinc/41/99/63/411419963.db2.gz PZXWXQLGCLUBNC-JTQLQIEISA-N 1 3 246.355 -0.528 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)NCCOCCN(C)C ZINC000659484721 411420162 /nfs/dbraw/zinc/42/01/62/411420162.db2.gz PZXWXQLGCLUBNC-SNVBAGLBSA-N 1 3 246.355 -0.528 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000659492557 411420985 /nfs/dbraw/zinc/42/09/85/411420985.db2.gz FZUPRRXJZDBOTN-BDAKNGLRSA-N 1 3 216.329 -0.156 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000659492558 411420716 /nfs/dbraw/zinc/42/07/16/411420716.db2.gz FZUPRRXJZDBOTN-IUCAKERBSA-N 1 3 216.329 -0.156 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659493890 411421309 /nfs/dbraw/zinc/42/13/09/411421309.db2.gz XRCXMSADMFVMNZ-BMQDGWLCSA-N 1 3 240.351 -0.012 20 0 BBADHO C[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)N(C)C ZINC000659500278 411421988 /nfs/dbraw/zinc/42/19/88/411421988.db2.gz BIZFKXUHVSGHEU-BMQDGWLCSA-N 1 3 240.351 -0.012 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000659501046 411423234 /nfs/dbraw/zinc/42/32/34/411423234.db2.gz GXIYAWKKBXSWKY-BDAKNGLRSA-N 1 3 216.329 -0.156 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000659501047 411423099 /nfs/dbraw/zinc/42/30/99/411423099.db2.gz GXIYAWKKBXSWKY-IUCAKERBSA-N 1 3 216.329 -0.156 20 0 BBADHO C[NH2+]CCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659504617 411423169 /nfs/dbraw/zinc/42/31/69/411423169.db2.gz GZFNSLDWLNGKRC-RKDXNWHRSA-N 1 3 232.303 -0.323 20 0 BBADHO N[C@@H]1CN(C(=O)NC2CC[NH2+]CC2)CC[C@H]1F ZINC000659504625 411422765 /nfs/dbraw/zinc/42/27/65/411422765.db2.gz HIXNYDLEWRKHCB-NXEZZACHSA-N 1 3 244.314 -0.181 20 0 BBADHO N[C@@H]1CN(C(=O)NCC[NH3+])CC[C@H]1F ZINC000659508059 411424336 /nfs/dbraw/zinc/42/43/36/411424336.db2.gz QUKJJJDUBJTQDP-RNFRBKRXSA-N 1 3 204.249 -0.974 20 0 BBADHO CCCN1CC[C@@H](NC(=O)NCC[NH3+])C1 ZINC000659508845 411463977 /nfs/dbraw/zinc/46/39/77/411463977.db2.gz ZRNMXRKNDYMZBV-SECBINFHSA-N 1 3 214.313 -0.271 20 0 BBADHO CCCN1CC[C@H](NC(=O)NCC[NH3+])C1 ZINC000659508846 411464100 /nfs/dbraw/zinc/46/41/00/411464100.db2.gz ZRNMXRKNDYMZBV-VIFPVBQESA-N 1 3 214.313 -0.271 20 0 BBADHO N[C@@H]1CN(C(=O)NCCC[NH3+])CC[C@H]1F ZINC000659509468 411424274 /nfs/dbraw/zinc/42/42/74/411424274.db2.gz DCZAUZBYNJJOJV-HTQZYQBOSA-N 1 3 218.276 -0.584 20 0 BBADHO N[C@@H]1CN(C(=O)NCC[NH2+]C2CC2)CC[C@H]1F ZINC000659510272 411424903 /nfs/dbraw/zinc/42/49/03/411424903.db2.gz MFFZWUBUUWOVCO-NXEZZACHSA-N 1 3 244.314 -0.181 20 0 BBADHO C[NH2+]CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659510858 411465632 /nfs/dbraw/zinc/46/56/32/411465632.db2.gz CFASLXQZUOHRMG-HTQZYQBOSA-N 1 3 218.276 -0.714 20 0 BBADHO N[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000659513814 411425305 /nfs/dbraw/zinc/42/53/05/411425305.db2.gz JWQUHEQQFSYENI-IVZWLZJFSA-N 1 3 244.314 -0.181 20 0 BBADHO N[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000659513815 411466919 /nfs/dbraw/zinc/46/69/19/411466919.db2.gz JWQUHEQQFSYENI-OPRDCNLKSA-N 1 3 244.314 -0.181 20 0 BBADHO CC[NH2+]CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659514744 411426533 /nfs/dbraw/zinc/42/65/33/411426533.db2.gz NYTCRUAOLXBEBD-RKDXNWHRSA-N 1 3 232.303 -0.323 20 0 BBADHO CCCN1CC[C@H](NC(=O)NCC[NH2+]C)C1 ZINC000659515219 411426579 /nfs/dbraw/zinc/42/65/79/411426579.db2.gz RBHZLVMRBQMDEG-JTQLQIEISA-N 1 3 228.340 -0.011 20 0 BBADHO CCCN1CC[C@@H](NC(=O)NCC[NH2+]C)C1 ZINC000659515220 411426294 /nfs/dbraw/zinc/42/62/94/411426294.db2.gz RBHZLVMRBQMDEG-SNVBAGLBSA-N 1 3 228.340 -0.011 20 0 BBADHO N[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000659516300 411426169 /nfs/dbraw/zinc/42/61/69/411426169.db2.gz PLKVZQHLDNFGBT-DJLDLDEBSA-N 1 3 230.287 -0.571 20 0 BBADHO N[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000659516751 411426309 /nfs/dbraw/zinc/42/63/09/411426309.db2.gz JYYBSFGROPIUJO-IVZWLZJFSA-N 1 3 244.314 -0.181 20 0 BBADHO N[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000659516752 411426100 /nfs/dbraw/zinc/42/61/00/411426100.db2.gz JYYBSFGROPIUJO-OPRDCNLKSA-N 1 3 244.314 -0.181 20 0 BBADHO N[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)CC[C@H]1F ZINC000659518922 487775016 /nfs/dbraw/zinc/77/50/16/487775016.db2.gz KUJVSGHDVMAIEB-BBBLOLIVSA-N 1 3 244.314 -0.196 20 0 BBADHO N[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[C@H]1F ZINC000659518923 487774958 /nfs/dbraw/zinc/77/49/58/487774958.db2.gz KUJVSGHDVMAIEB-OPRDCNLKSA-N 1 3 244.314 -0.196 20 0 BBADHO CC(C)([NH3+])CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659519043 411427124 /nfs/dbraw/zinc/42/71/24/411427124.db2.gz CSNNYPBNBPCCCR-HTQZYQBOSA-N 1 3 232.303 -0.196 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)NCCNCCOC ZINC000659526409 411484986 /nfs/dbraw/zinc/48/49/86/411484986.db2.gz CEICNGLXYSJIBO-SECBINFHSA-N 1 3 232.328 -0.871 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)NCCNCCOC ZINC000659526410 411485093 /nfs/dbraw/zinc/48/50/93/411485093.db2.gz CEICNGLXYSJIBO-VIFPVBQESA-N 1 3 232.328 -0.871 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659526581 411428899 /nfs/dbraw/zinc/42/88/99/411428899.db2.gz PUIJWWSXAQCGOJ-DJLDLDEBSA-N 1 3 232.303 -0.338 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659526585 411428839 /nfs/dbraw/zinc/42/88/39/411428839.db2.gz PUIJWWSXAQCGOJ-IWSPIJDZSA-N 1 3 232.303 -0.338 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659526636 411428891 /nfs/dbraw/zinc/42/88/91/411428891.db2.gz DIOPBMHCEPHDFR-DJLDLDEBSA-N 1 3 232.303 -0.196 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659526637 411428828 /nfs/dbraw/zinc/42/88/28/411428828.db2.gz DIOPBMHCEPHDFR-IWSPIJDZSA-N 1 3 232.303 -0.196 20 0 BBADHO COCCNCCNC(=O)N(C)CCC[NH3+] ZINC000659527491 411429314 /nfs/dbraw/zinc/42/93/14/411429314.db2.gz MUSBVEJYAWWILD-UHFFFAOYSA-N 1 3 232.328 -0.787 20 0 BBADHO N[C@@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)CC[C@H]1F ZINC000659528526 411428962 /nfs/dbraw/zinc/42/89/62/411428962.db2.gz UDAIVVIBZPJMHQ-KXUCPTDWSA-N 1 3 244.314 -0.196 20 0 BBADHO N[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[C@H]1F ZINC000659528527 411429091 /nfs/dbraw/zinc/42/90/91/411429091.db2.gz UDAIVVIBZPJMHQ-OPRDCNLKSA-N 1 3 244.314 -0.196 20 0 BBADHO COCCNCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659528638 411428999 /nfs/dbraw/zinc/42/89/99/411428999.db2.gz SSTIKQJIOVSOEX-UHFFFAOYSA-N 1 3 246.355 -0.399 20 0 BBADHO CCCN1CC[C@@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000659528733 411429126 /nfs/dbraw/zinc/42/91/26/411429126.db2.gz WXUOXBKKNGOLAH-LLVKDONJSA-N 1 3 240.351 -0.011 20 0 BBADHO CCCN1CC[C@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000659528734 411429364 /nfs/dbraw/zinc/42/93/64/411429364.db2.gz WXUOXBKKNGOLAH-NSHDSACASA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@H](C[NH3+])NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659530233 411489502 /nfs/dbraw/zinc/48/95/02/411489502.db2.gz GXOHHYRTKOYORE-BWZBUEFSSA-N 1 3 218.276 -0.586 20 0 BBADHO N[C@@H]1CN(C(=O)NCC2([NH3+])CCC2)CC[C@H]1F ZINC000659530867 538035940 /nfs/dbraw/zinc/03/59/40/538035940.db2.gz VMGCIDAEYXDFFO-RKDXNWHRSA-N 1 3 244.314 -0.052 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659535599 411430849 /nfs/dbraw/zinc/43/08/49/411430849.db2.gz AUBAZFRVWPGIFG-BWZBUEFSSA-N 1 3 218.276 -0.586 20 0 BBADHO C[C@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659535600 411431190 /nfs/dbraw/zinc/43/11/90/411431190.db2.gz AUBAZFRVWPGIFG-XLPZGREQSA-N 1 3 218.276 -0.586 20 0 BBADHO N[C@@H]1CN(C(=O)NC/C=C/C[NH3+])CC[C@H]1F ZINC000659542612 411433252 /nfs/dbraw/zinc/43/32/52/411433252.db2.gz BKWCZUNVQDUTFW-NPIHWTNLSA-N 1 3 230.287 -0.418 20 0 BBADHO N[C@@H]1CN(C(=O)NC/C=C\C[NH3+])CC[C@H]1F ZINC000659542613 411432640 /nfs/dbraw/zinc/43/26/40/411432640.db2.gz BKWCZUNVQDUTFW-WDESOFOKSA-N 1 3 230.287 -0.418 20 0 BBADHO N[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[C@H]1F ZINC000659546847 411515886 /nfs/dbraw/zinc/51/58/86/411515886.db2.gz HWFSWBHZEVYDTR-ZOZBQHSOSA-N 1 3 242.298 -0.715 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659547381 411433766 /nfs/dbraw/zinc/43/37/66/411433766.db2.gz CMAMZFREDOAISB-DJLDLDEBSA-N 1 3 232.303 -0.196 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659547385 411433579 /nfs/dbraw/zinc/43/35/79/411433579.db2.gz CMAMZFREDOAISB-IWSPIJDZSA-N 1 3 232.303 -0.196 20 0 BBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659549545 411152291 /nfs/dbraw/zinc/15/22/91/411152291.db2.gz NNOIILZETWAHIQ-BZNPZCIMSA-N 1 3 232.303 -0.197 20 0 BBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659549552 411152299 /nfs/dbraw/zinc/15/22/99/411152299.db2.gz NNOIILZETWAHIQ-FNCVBFRFSA-N 1 3 232.303 -0.197 20 0 BBADHO C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H](C)[NH3+] ZINC000659549558 411152468 /nfs/dbraw/zinc/15/24/68/411152468.db2.gz NNOIILZETWAHIQ-JQCXWYLXSA-N 1 3 232.303 -0.197 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659549563 411152913 /nfs/dbraw/zinc/15/29/13/411152913.db2.gz NNOIILZETWAHIQ-RBXMUDONSA-N 1 3 232.303 -0.197 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CNCCC1(F)F ZINC000659552091 411434883 /nfs/dbraw/zinc/43/48/83/411434883.db2.gz NWWSYNDGLYHNBH-JGVFFNPUSA-N 1 3 248.277 -0.355 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CNCCC1(F)F ZINC000659552094 411434591 /nfs/dbraw/zinc/43/45/91/411434591.db2.gz NWWSYNDGLYHNBH-YUMQZZPRSA-N 1 3 248.277 -0.355 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CNCCO1 ZINC000659553652 411435417 /nfs/dbraw/zinc/43/54/17/411435417.db2.gz BUWDGMLRSKOFEL-SECBINFHSA-N 1 3 244.339 -0.647 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC000659553653 411435367 /nfs/dbraw/zinc/43/53/67/411435367.db2.gz BUWDGMLRSKOFEL-VIFPVBQESA-N 1 3 244.339 -0.647 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000659564183 411436521 /nfs/dbraw/zinc/43/65/21/411436521.db2.gz PDMXFGPBXKLQSY-AEJSXWLSSA-N 1 3 226.324 -0.260 20 0 BBADHO C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000659564184 411437009 /nfs/dbraw/zinc/43/70/09/411437009.db2.gz PDMXFGPBXKLQSY-GUBZILKMSA-N 1 3 226.324 -0.260 20 0 BBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCCNCC1 ZINC000659611729 411441631 /nfs/dbraw/zinc/44/16/31/411441631.db2.gz QTCYRSGQOFAARA-UHFFFAOYSA-N 1 3 238.335 -0.257 20 0 BBADHO CN(C)CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616931 411440543 /nfs/dbraw/zinc/44/05/43/411440543.db2.gz XWLYBZBGZXGYTR-UHFFFAOYSA-N 1 3 226.324 -0.401 20 0 BBADHO CN(C)CCN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617173 411442640 /nfs/dbraw/zinc/44/26/40/411442640.db2.gz NLZGLMUCPHUYIN-UHFFFAOYSA-N 1 3 240.351 -0.059 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000659634083 411259765 /nfs/dbraw/zinc/25/97/65/411259765.db2.gz AZDXULSYCNRHCO-AEJSXWLSSA-N 1 3 228.340 -0.014 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000659634085 411260007 /nfs/dbraw/zinc/26/00/07/411260007.db2.gz AZDXULSYCNRHCO-GUBZILKMSA-N 1 3 228.340 -0.014 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000659634087 411260028 /nfs/dbraw/zinc/26/00/28/411260028.db2.gz AZDXULSYCNRHCO-IVZWLZJFSA-N 1 3 228.340 -0.014 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000659634089 411259781 /nfs/dbraw/zinc/25/97/81/411259781.db2.gz AZDXULSYCNRHCO-LPEHRKFASA-N 1 3 228.340 -0.014 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)NCCN(C)C ZINC000659635787 411265902 /nfs/dbraw/zinc/26/59/02/411265902.db2.gz IBVZEDYGZYHDPM-MRVPVSSYSA-N 1 3 202.302 -0.545 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)NCCN(C)C ZINC000659635788 411265962 /nfs/dbraw/zinc/26/59/62/411265962.db2.gz IBVZEDYGZYHDPM-QMMMGPOBSA-N 1 3 202.302 -0.545 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659637031 411272873 /nfs/dbraw/zinc/27/28/73/411272873.db2.gz SWFDWQTWNOUQLL-DJLDLDEBSA-N 1 3 232.303 -0.325 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659637033 411273280 /nfs/dbraw/zinc/27/32/80/411273280.db2.gz SWFDWQTWNOUQLL-IWSPIJDZSA-N 1 3 232.303 -0.325 20 0 BBADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659639428 411446248 /nfs/dbraw/zinc/44/62/48/411446248.db2.gz KOSHWKRYAAIQGA-JTQLQIEISA-N 1 3 246.355 -0.792 20 0 BBADHO CCN(CCO)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659639429 411446182 /nfs/dbraw/zinc/44/61/82/411446182.db2.gz KOSHWKRYAAIQGA-SNVBAGLBSA-N 1 3 246.355 -0.792 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)N1CCCNCC1 ZINC000659642766 411278285 /nfs/dbraw/zinc/27/82/85/411278285.db2.gz LZXBFZUNDWINJG-SECBINFHSA-N 1 3 214.313 -0.401 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1CCCNCC1 ZINC000659642767 411278378 /nfs/dbraw/zinc/27/83/78/411278378.db2.gz LZXBFZUNDWINJG-VIFPVBQESA-N 1 3 214.313 -0.401 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000659643086 411286700 /nfs/dbraw/zinc/28/67/00/411286700.db2.gz NITHVWJBGLOFSJ-AEJSXWLSSA-N 1 3 228.340 -0.014 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000659643087 411286970 /nfs/dbraw/zinc/28/69/70/411286970.db2.gz NITHVWJBGLOFSJ-GUBZILKMSA-N 1 3 228.340 -0.014 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000659643088 411286427 /nfs/dbraw/zinc/28/64/27/411286427.db2.gz NITHVWJBGLOFSJ-IVZWLZJFSA-N 1 3 228.340 -0.014 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000659643089 411287107 /nfs/dbraw/zinc/28/71/07/411287107.db2.gz NITHVWJBGLOFSJ-LPEHRKFASA-N 1 3 228.340 -0.014 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000659643867 411447032 /nfs/dbraw/zinc/44/70/32/411447032.db2.gz UROFABHARYYLRG-GARJFASQSA-N 1 3 240.351 -0.060 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000659643868 411446849 /nfs/dbraw/zinc/44/68/49/411446849.db2.gz UROFABHARYYLRG-OUAUKWLOSA-N 1 3 240.351 -0.060 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)N(C)CCN(C)C ZINC000659645949 411447320 /nfs/dbraw/zinc/44/73/20/411447320.db2.gz FZBNYYKVDXSFQR-SECBINFHSA-N 1 3 216.329 -0.203 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)N(C)CCN(C)C ZINC000659645950 411446682 /nfs/dbraw/zinc/44/66/82/411446682.db2.gz FZBNYYKVDXSFQR-VIFPVBQESA-N 1 3 216.329 -0.203 20 0 BBADHO c1[nH]nnc1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659849072 411341766 /nfs/dbraw/zinc/34/17/66/411341766.db2.gz FDVZDHPHGJVQPM-DTORHVGOSA-N 1 3 207.281 -0.502 20 0 BBADHO c1[nH]nnc1CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659849075 411340504 /nfs/dbraw/zinc/34/05/04/411340504.db2.gz FDVZDHPHGJVQPM-IUCAKERBSA-N 1 3 207.281 -0.502 20 0 BBADHO c1[nH]nnc1CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659849083 411340366 /nfs/dbraw/zinc/34/03/66/411340366.db2.gz FDVZDHPHGJVQPM-RKDXNWHRSA-N 1 3 207.281 -0.502 20 0 BBADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CCC(N)=O ZINC000660547118 411315365 /nfs/dbraw/zinc/31/53/65/411315365.db2.gz RSFXTODFTQRENV-JTQLQIEISA-N 1 3 231.340 -0.505 20 0 BBADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CCC(N)=O ZINC000660547118 411315363 /nfs/dbraw/zinc/31/53/63/411315363.db2.gz RSFXTODFTQRENV-JTQLQIEISA-N 1 3 231.340 -0.505 20 0 BBADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCC(N)=O ZINC000660547121 411315349 /nfs/dbraw/zinc/31/53/49/411315349.db2.gz RSFXTODFTQRENV-SNVBAGLBSA-N 1 3 231.340 -0.505 20 0 BBADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCC(N)=O ZINC000660547121 411315348 /nfs/dbraw/zinc/31/53/48/411315348.db2.gz RSFXTODFTQRENV-SNVBAGLBSA-N 1 3 231.340 -0.505 20 0 BBADHO [NH3+][C@@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662235197 411383538 /nfs/dbraw/zinc/38/35/38/411383538.db2.gz OWMJAUSREAQPSX-GHMZBOCLSA-N 1 3 225.336 -0.070 20 0 BBADHO [NH3+][C@@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662235211 411383520 /nfs/dbraw/zinc/38/35/20/411383520.db2.gz OWMJAUSREAQPSX-MNOVXSKESA-N 1 3 225.336 -0.070 20 0 BBADHO [NH3+][C@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662235216 411383558 /nfs/dbraw/zinc/38/35/58/411383558.db2.gz OWMJAUSREAQPSX-QWRGUYRKSA-N 1 3 225.336 -0.070 20 0 BBADHO [NH3+][C@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662235223 411382988 /nfs/dbraw/zinc/38/29/88/411382988.db2.gz OWMJAUSREAQPSX-WDEREUQCSA-N 1 3 225.336 -0.070 20 0 BBADHO CN(C[C@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000662238756 487471274 /nfs/dbraw/zinc/47/12/74/487471274.db2.gz VWOFCZXFPORQRT-LLVKDONJSA-N 1 3 213.325 -0.341 20 0 BBADHO CN(C[C@@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000662238759 487471432 /nfs/dbraw/zinc/47/14/32/487471432.db2.gz VWOFCZXFPORQRT-NSHDSACASA-N 1 3 213.325 -0.341 20 0 BBADHO C[NH2+]C[C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662238837 412035399 /nfs/dbraw/zinc/03/53/99/412035399.db2.gz YHVYJNLOUKAKJH-NEPJUHHUSA-N 1 3 227.352 -0.094 20 0 BBADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662238838 412034754 /nfs/dbraw/zinc/03/47/54/412034754.db2.gz YHVYJNLOUKAKJH-NWDGAFQWSA-N 1 3 227.352 -0.094 20 0 BBADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662238839 412035820 /nfs/dbraw/zinc/03/58/20/412035820.db2.gz YHVYJNLOUKAKJH-RYUDHWBXSA-N 1 3 227.352 -0.094 20 0 BBADHO C[NH2+]C[C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662238840 412035637 /nfs/dbraw/zinc/03/56/37/412035637.db2.gz YHVYJNLOUKAKJH-VXGBXAGGSA-N 1 3 227.352 -0.094 20 0 BBADHO C([C@H]1CCC2(CNC2)O1)N1CCC[NH2+]CC1 ZINC000662239379 409525352 /nfs/dbraw/zinc/52/53/52/409525352.db2.gz BTMKAQFGOHPSQA-LLVKDONJSA-N 1 3 225.336 -0.197 20 0 BBADHO C([C@@H]1CCC2(CNC2)O1)N1CCC[NH2+]CC1 ZINC000662239382 409526142 /nfs/dbraw/zinc/52/61/42/409526142.db2.gz BTMKAQFGOHPSQA-NSHDSACASA-N 1 3 225.336 -0.197 20 0 BBADHO [NH3+]C1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662239398 412037948 /nfs/dbraw/zinc/03/79/48/412037948.db2.gz BVTJXVFQQDKKNN-LLVKDONJSA-N 1 3 225.336 -0.070 20 0 BBADHO [NH3+]C1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662239400 412037284 /nfs/dbraw/zinc/03/72/84/412037284.db2.gz BVTJXVFQQDKKNN-NSHDSACASA-N 1 3 225.336 -0.070 20 0 BBADHO C[NH2+][C@@H]1CCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662241286 409528507 /nfs/dbraw/zinc/52/85/07/409528507.db2.gz RUQHDZINFOCBEU-GHMZBOCLSA-N 1 3 225.336 -0.199 20 0 BBADHO C[NH2+][C@@H]1CCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662241287 409528410 /nfs/dbraw/zinc/52/84/10/409528410.db2.gz RUQHDZINFOCBEU-MNOVXSKESA-N 1 3 225.336 -0.199 20 0 BBADHO C[NH2+][C@H]1CCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662241288 409528687 /nfs/dbraw/zinc/52/86/87/409528687.db2.gz RUQHDZINFOCBEU-QWRGUYRKSA-N 1 3 225.336 -0.199 20 0 BBADHO C[NH2+][C@H]1CCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662241289 409528248 /nfs/dbraw/zinc/52/82/48/409528248.db2.gz RUQHDZINFOCBEU-WDEREUQCSA-N 1 3 225.336 -0.199 20 0 BBADHO [NH3+][C@@H]1CCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662241697 412037339 /nfs/dbraw/zinc/03/73/39/412037339.db2.gz VSIIKTQCKKUVKH-NXEZZACHSA-N 1 3 211.309 -0.460 20 0 BBADHO [NH3+][C@@H]1CCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662241698 412036445 /nfs/dbraw/zinc/03/64/45/412036445.db2.gz VSIIKTQCKKUVKH-ZJUUUORDSA-N 1 3 211.309 -0.460 20 0 BBADHO C[C@@H]1CN(C[C@@H]2CNCCO2)C[C@H](C)[NH2+]1 ZINC000662242632 412036704 /nfs/dbraw/zinc/03/67/04/412036704.db2.gz CYZPDPDPIHEMKM-AXFHLTTASA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1CN(C[C@H]2CNCCO2)C[C@@H](C)[NH2+]1 ZINC000662242634 412037386 /nfs/dbraw/zinc/03/73/86/412037386.db2.gz CYZPDPDPIHEMKM-GMTAPVOTSA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1CN(C[C@@H]2CNCCO2)C[C@@H](C)[NH2+]1 ZINC000662242636 412037713 /nfs/dbraw/zinc/03/77/13/412037713.db2.gz CYZPDPDPIHEMKM-MXWKQRLJSA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1CN(C[C@H]2CNCCO2)C[C@H](C)[NH2+]1 ZINC000662242637 412036868 /nfs/dbraw/zinc/03/68/68/412036868.db2.gz CYZPDPDPIHEMKM-OUAUKWLOSA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1CN(C[C@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000662242880 412036464 /nfs/dbraw/zinc/03/64/64/412036464.db2.gz DVBUWWORIFKTEK-GMTAPVOTSA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@@H]1CN(C[C@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000662242881 412038011 /nfs/dbraw/zinc/03/80/11/412038011.db2.gz DVBUWWORIFKTEK-MXWKQRLJSA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@@H]1CN(C[C@@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000662242883 412037922 /nfs/dbraw/zinc/03/79/22/412037922.db2.gz DVBUWWORIFKTEK-OUAUKWLOSA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@@H]1CN(C[C@@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000662242885 412037173 /nfs/dbraw/zinc/03/71/73/412037173.db2.gz DVBUWWORIFKTEK-VWYCJHECSA-N 1 3 213.325 -0.356 20 0 BBADHO [NH3+]C[C@H]1CCCCN1C[C@H]1CNCCO1 ZINC000662243684 412039294 /nfs/dbraw/zinc/03/92/94/412039294.db2.gz OMGYDUCYRRPSSI-GHMZBOCLSA-N 1 3 213.325 -0.212 20 0 BBADHO [NH3+]C[C@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000662243685 409531804 /nfs/dbraw/zinc/53/18/04/409531804.db2.gz OMGYDUCYRRPSSI-MNOVXSKESA-N 1 3 213.325 -0.212 20 0 BBADHO [NH3+]C[C@@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000662243686 409532150 /nfs/dbraw/zinc/53/21/50/409532150.db2.gz OMGYDUCYRRPSSI-QWRGUYRKSA-N 1 3 213.325 -0.212 20 0 BBADHO [NH3+]C[C@@H]1CCCCN1C[C@H]1CNCCO1 ZINC000662243687 409532160 /nfs/dbraw/zinc/53/21/60/409532160.db2.gz OMGYDUCYRRPSSI-WDEREUQCSA-N 1 3 213.325 -0.212 20 0 BBADHO C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)CC[NH2+]1 ZINC000662243716 412039929 /nfs/dbraw/zinc/03/99/29/412039929.db2.gz JJCACQNYRRAWEW-GHMZBOCLSA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)CC[NH2+]1 ZINC000662243717 412039166 /nfs/dbraw/zinc/03/91/66/412039166.db2.gz JJCACQNYRRAWEW-MNOVXSKESA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@H]1CN(C[C@@H]2CCC3(CNC3)O2)CC[NH2+]1 ZINC000662243718 412038534 /nfs/dbraw/zinc/03/85/34/412038534.db2.gz JJCACQNYRRAWEW-QWRGUYRKSA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@H]1CN(C[C@H]2CCC3(CNC3)O2)CC[NH2+]1 ZINC000662243719 412039638 /nfs/dbraw/zinc/03/96/38/412039638.db2.gz JJCACQNYRRAWEW-WDEREUQCSA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@@H]1C[NH2+]CCN1C[C@H]1CCC2(CNC2)O1 ZINC000662244591 412041477 /nfs/dbraw/zinc/04/14/77/412041477.db2.gz RFEJFGJIAGVZFG-GHMZBOCLSA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@@H]1C[NH2+]CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662244598 412040735 /nfs/dbraw/zinc/04/07/35/412040735.db2.gz RFEJFGJIAGVZFG-MNOVXSKESA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@H]1C[NH2+]CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662244603 412041522 /nfs/dbraw/zinc/04/15/22/412041522.db2.gz RFEJFGJIAGVZFG-QWRGUYRKSA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@H]1C[NH2+]CCN1C[C@H]1CCC2(CNC2)O1 ZINC000662244613 412041814 /nfs/dbraw/zinc/04/18/14/412041814.db2.gz RFEJFGJIAGVZFG-WDEREUQCSA-N 1 3 225.336 -0.199 20 0 BBADHO C[NH2+][C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662244725 409533502 /nfs/dbraw/zinc/53/35/02/409533502.db2.gz GFZUJRMJJJSWEO-GHMZBOCLSA-N 1 3 213.325 -0.341 20 0 BBADHO C[NH2+][C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662244726 409535346 /nfs/dbraw/zinc/53/53/46/409535346.db2.gz GFZUJRMJJJSWEO-MNOVXSKESA-N 1 3 213.325 -0.341 20 0 BBADHO C[NH2+][C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662244727 409535156 /nfs/dbraw/zinc/53/51/56/409535156.db2.gz GFZUJRMJJJSWEO-QWRGUYRKSA-N 1 3 213.325 -0.341 20 0 BBADHO C[NH2+][C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662244728 409535846 /nfs/dbraw/zinc/53/58/46/409535846.db2.gz GFZUJRMJJJSWEO-WDEREUQCSA-N 1 3 213.325 -0.341 20 0 BBADHO C[C@H](C[NH3+])N(C)C[C@H]1CCC2(CNC2)O1 ZINC000662244931 412042063 /nfs/dbraw/zinc/04/20/63/412042063.db2.gz PSVUYQAFORPPSJ-NXEZZACHSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@@H](C[NH3+])N(C)C[C@@H]1CCC2(CNC2)O1 ZINC000662244932 412041685 /nfs/dbraw/zinc/04/16/85/412041685.db2.gz PSVUYQAFORPPSJ-UWVGGRQHSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@@H](C[NH3+])N(C)C[C@H]1CCC2(CNC2)O1 ZINC000662244933 412040932 /nfs/dbraw/zinc/04/09/32/412040932.db2.gz PSVUYQAFORPPSJ-VHSXEESVSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@H](C[NH3+])N(C)C[C@@H]1CCC2(CNC2)O1 ZINC000662244934 412042106 /nfs/dbraw/zinc/04/21/06/412042106.db2.gz PSVUYQAFORPPSJ-ZJUUUORDSA-N 1 3 213.325 -0.214 20 0 BBADHO C([C@H]1CNCCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662245101 412042144 /nfs/dbraw/zinc/04/21/44/412042144.db2.gz KKLYDEUXZSKLJF-GRYCIOLGSA-N 1 3 225.336 -0.199 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662245102 412040891 /nfs/dbraw/zinc/04/08/91/412040891.db2.gz KKLYDEUXZSKLJF-WOPDTQHZSA-N 1 3 225.336 -0.199 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C[C@H]1CNCCO1 ZINC000662245143 412041582 /nfs/dbraw/zinc/04/15/82/412041582.db2.gz KYGFVJDZMBNSKR-GHMZBOCLSA-N 1 3 213.325 -0.341 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C[C@@H]1CNCCO1 ZINC000662245144 412041283 /nfs/dbraw/zinc/04/12/83/412041283.db2.gz KYGFVJDZMBNSKR-MNOVXSKESA-N 1 3 213.325 -0.341 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C[C@@H]1CNCCO1 ZINC000662245147 412042219 /nfs/dbraw/zinc/04/22/19/412042219.db2.gz KYGFVJDZMBNSKR-QWRGUYRKSA-N 1 3 213.325 -0.341 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C[C@H]1CNCCO1 ZINC000662245149 412040727 /nfs/dbraw/zinc/04/07/27/412040727.db2.gz KYGFVJDZMBNSKR-WDEREUQCSA-N 1 3 213.325 -0.341 20 0 BBADHO [NH3+][C@H]1CCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662245902 412043113 /nfs/dbraw/zinc/04/31/13/412043113.db2.gz VSIIKTQCKKUVKH-UWVGGRQHSA-N 1 3 211.309 -0.460 20 0 BBADHO [NH3+][C@H]1CCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662245903 412043919 /nfs/dbraw/zinc/04/39/19/412043919.db2.gz VSIIKTQCKKUVKH-VHSXEESVSA-N 1 3 211.309 -0.460 20 0 BBADHO COC[C@@H](CN(C)CCN1CC[NH2+]CC1)OC ZINC000662246090 412043807 /nfs/dbraw/zinc/04/38/07/412043807.db2.gz OMYHDQDKECMOHV-GFCCVEGCSA-N 1 3 245.367 -0.515 20 0 BBADHO COC[C@H](CN(C)CCN1CC[NH2+]CC1)OC ZINC000662246091 412043057 /nfs/dbraw/zinc/04/30/57/412043057.db2.gz OMYHDQDKECMOHV-LBPRGKRZSA-N 1 3 245.367 -0.515 20 0 BBADHO CN(C[C@@H]1CNCCO1)CC(C)(C)C[NH3+] ZINC000662246675 412043913 /nfs/dbraw/zinc/04/39/13/412043913.db2.gz AZAPWLGDQAAJAA-JTQLQIEISA-N 1 3 215.341 -0.109 20 0 BBADHO CN(C[C@H]1CNCCO1)CC(C)(C)C[NH3+] ZINC000662246676 412042816 /nfs/dbraw/zinc/04/28/16/412042816.db2.gz AZAPWLGDQAAJAA-SNVBAGLBSA-N 1 3 215.341 -0.109 20 0 BBADHO CC1(C)C[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000662246911 412045039 /nfs/dbraw/zinc/04/50/39/412045039.db2.gz VMEFIEUFEPTDOR-JTQLQIEISA-N 1 3 213.325 -0.341 20 0 BBADHO CC1(C)C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000662246913 412044678 /nfs/dbraw/zinc/04/46/78/412044678.db2.gz VMEFIEUFEPTDOR-SNVBAGLBSA-N 1 3 213.325 -0.341 20 0 BBADHO [NH3+]C[C@H]1CCCN1C[C@H]1CCC2(CNC2)O1 ZINC000662246962 412044344 /nfs/dbraw/zinc/04/43/44/412044344.db2.gz WFGNFCJHLWXBFR-GHMZBOCLSA-N 1 3 225.336 -0.070 20 0 BBADHO [NH3+]C[C@H]1CCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662246965 412044422 /nfs/dbraw/zinc/04/44/22/412044422.db2.gz WFGNFCJHLWXBFR-MNOVXSKESA-N 1 3 225.336 -0.070 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CNCCO2)CCO1 ZINC000662247593 412044939 /nfs/dbraw/zinc/04/49/39/412044939.db2.gz GMHUWHYYXQGJQX-AXFHLTTASA-N 1 3 229.324 -0.977 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC000662247594 412044282 /nfs/dbraw/zinc/04/42/82/412044282.db2.gz GMHUWHYYXQGJQX-DCAQKATOSA-N 1 3 229.324 -0.977 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC000662247595 412044865 /nfs/dbraw/zinc/04/48/65/412044865.db2.gz GMHUWHYYXQGJQX-GARJFASQSA-N 1 3 229.324 -0.977 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C[C@H]2CNCCO2)CCO1 ZINC000662247596 412045224 /nfs/dbraw/zinc/04/52/24/412045224.db2.gz GMHUWHYYXQGJQX-HBNTYKKESA-N 1 3 229.324 -0.977 20 0 BBADHO CN(C[C@H]1CCC2(CNC2)O1)[C@@H]1CC[NH2+]C1 ZINC000662247718 409546621 /nfs/dbraw/zinc/54/66/21/409546621.db2.gz ZEIRXPLRFKJZIT-GHMZBOCLSA-N 1 3 225.336 -0.199 20 0 BBADHO CN(C[C@@H]1CCC2(CNC2)O1)[C@@H]1CC[NH2+]C1 ZINC000662247719 409544604 /nfs/dbraw/zinc/54/46/04/409544604.db2.gz ZEIRXPLRFKJZIT-MNOVXSKESA-N 1 3 225.336 -0.199 20 0 BBADHO CN(C[C@@H]1CCC2(CNC2)O1)[C@H]1CC[NH2+]C1 ZINC000662247720 409549108 /nfs/dbraw/zinc/54/91/08/409549108.db2.gz ZEIRXPLRFKJZIT-QWRGUYRKSA-N 1 3 225.336 -0.199 20 0 BBADHO CN(C[C@H]1CCC2(CNC2)O1)[C@H]1CC[NH2+]C1 ZINC000662247721 409548085 /nfs/dbraw/zinc/54/80/85/409548085.db2.gz ZEIRXPLRFKJZIT-WDEREUQCSA-N 1 3 225.336 -0.199 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC[C@H]1CNCCO1 ZINC000662249045 412046181 /nfs/dbraw/zinc/04/61/81/412046181.db2.gz HGJMLYAIWUKESJ-GHMZBOCLSA-N 1 3 215.341 -0.062 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC[C@H]1CNCCO1 ZINC000662249046 412046876 /nfs/dbraw/zinc/04/68/76/412046876.db2.gz HGJMLYAIWUKESJ-MNOVXSKESA-N 1 3 215.341 -0.062 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1CNCCO1 ZINC000662249047 412046338 /nfs/dbraw/zinc/04/63/38/412046338.db2.gz HGJMLYAIWUKESJ-QWRGUYRKSA-N 1 3 215.341 -0.062 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H]1CNCCO1 ZINC000662249048 412046377 /nfs/dbraw/zinc/04/63/77/412046377.db2.gz HGJMLYAIWUKESJ-WDEREUQCSA-N 1 3 215.341 -0.062 20 0 BBADHO OCCN(C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251102 412049261 /nfs/dbraw/zinc/04/92/61/412049261.db2.gz YUTLWJSROFPSRA-LLVKDONJSA-N 1 3 226.320 -0.036 20 0 BBADHO OCCN(C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251103 412049961 /nfs/dbraw/zinc/04/99/61/412049961.db2.gz YUTLWJSROFPSRA-NSHDSACASA-N 1 3 226.320 -0.036 20 0 BBADHO CNC(=O)CC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662256167 412051224 /nfs/dbraw/zinc/05/12/24/412051224.db2.gz HSSYAQHZKQVSMD-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CNC(=O)CC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662256167 412051219 /nfs/dbraw/zinc/05/12/19/412051219.db2.gz HSSYAQHZKQVSMD-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CNC(=O)CC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662256168 412051994 /nfs/dbraw/zinc/05/19/94/412051994.db2.gz HSSYAQHZKQVSMD-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO CNC(=O)CC[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662256168 412051991 /nfs/dbraw/zinc/05/19/91/412051991.db2.gz HSSYAQHZKQVSMD-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO C([C@@H]1CNCCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662263931 409555190 /nfs/dbraw/zinc/55/51/90/409555190.db2.gz GIZWSPCQMIIXEQ-NEPJUHHUSA-N 1 3 225.336 -0.199 20 0 BBADHO C([C@H]1CNCCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662263934 409554910 /nfs/dbraw/zinc/55/49/10/409554910.db2.gz GIZWSPCQMIIXEQ-NWDGAFQWSA-N 1 3 225.336 -0.199 20 0 BBADHO C([C@@H]1CNCCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662263946 409556726 /nfs/dbraw/zinc/55/67/26/409556726.db2.gz GIZWSPCQMIIXEQ-RYUDHWBXSA-N 1 3 225.336 -0.199 20 0 BBADHO C([C@H]1CNCCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662263952 409557121 /nfs/dbraw/zinc/55/71/21/409557121.db2.gz GIZWSPCQMIIXEQ-VXGBXAGGSA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662264659 409561354 /nfs/dbraw/zinc/56/13/54/409561354.db2.gz FBKMFYVAHASNGW-AXFHLTTASA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662264923 409558991 /nfs/dbraw/zinc/55/89/91/409558991.db2.gz FBKMFYVAHASNGW-DCAQKATOSA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662264924 409561032 /nfs/dbraw/zinc/56/10/32/409561032.db2.gz FBKMFYVAHASNGW-GARJFASQSA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662264927 409559917 /nfs/dbraw/zinc/55/99/17/409559917.db2.gz FBKMFYVAHASNGW-HBNTYKKESA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CNCCO1 ZINC000662265465 412058944 /nfs/dbraw/zinc/05/89/44/412058944.db2.gz BLGFJYGORWPHTM-AXFHLTTASA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1CNCCO1 ZINC000662265466 412058480 /nfs/dbraw/zinc/05/84/80/412058480.db2.gz BLGFJYGORWPHTM-OUAUKWLOSA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C[C@H]1CNCCO1 ZINC000662265923 412058257 /nfs/dbraw/zinc/05/82/57/412058257.db2.gz UFETVGVVGQGXKX-GMTAPVOTSA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C[C@@H]1CNCCO1 ZINC000662265924 412059040 /nfs/dbraw/zinc/05/90/40/412059040.db2.gz UFETVGVVGQGXKX-MXWKQRLJSA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C[C@H]1CNCCO1 ZINC000662265925 412058696 /nfs/dbraw/zinc/05/86/96/412058696.db2.gz UFETVGVVGQGXKX-OUAUKWLOSA-N 1 3 213.325 -0.356 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C[C@@H]1CNCCO1 ZINC000662265926 412059132 /nfs/dbraw/zinc/05/91/32/412059132.db2.gz UFETVGVVGQGXKX-VWYCJHECSA-N 1 3 213.325 -0.356 20 0 BBADHO C([C@H]1CNCCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266311 412057778 /nfs/dbraw/zinc/05/77/78/412057778.db2.gz LWSNZAINRYHNLB-NEPJUHHUSA-N 1 3 225.336 -0.340 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266312 412057314 /nfs/dbraw/zinc/05/73/14/412057314.db2.gz LWSNZAINRYHNLB-NWDGAFQWSA-N 1 3 225.336 -0.340 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266313 412057607 /nfs/dbraw/zinc/05/76/07/412057607.db2.gz LWSNZAINRYHNLB-RYUDHWBXSA-N 1 3 225.336 -0.340 20 0 BBADHO C([C@H]1CNCCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266315 412057538 /nfs/dbraw/zinc/05/75/38/412057538.db2.gz LWSNZAINRYHNLB-VXGBXAGGSA-N 1 3 225.336 -0.340 20 0 BBADHO [NH3+]C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)CCO1 ZINC000662267853 412060562 /nfs/dbraw/zinc/06/05/62/412060562.db2.gz ZLSAUHXKNUUWFW-GHMZBOCLSA-N 1 3 241.335 -0.833 20 0 BBADHO [NH3+]C[C@H]1CN(C[C@H]2CCC3(CNC3)O2)CCO1 ZINC000662267860 412059569 /nfs/dbraw/zinc/05/95/69/412059569.db2.gz ZLSAUHXKNUUWFW-MNOVXSKESA-N 1 3 241.335 -0.833 20 0 BBADHO [NH3+]C[C@H]1CN(C[C@@H]2CCC3(CNC3)O2)CCO1 ZINC000662267862 412061481 /nfs/dbraw/zinc/06/14/81/412061481.db2.gz ZLSAUHXKNUUWFW-QWRGUYRKSA-N 1 3 241.335 -0.833 20 0 BBADHO [NH3+]C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)CCO1 ZINC000662267864 412060224 /nfs/dbraw/zinc/06/02/24/412060224.db2.gz ZLSAUHXKNUUWFW-WDEREUQCSA-N 1 3 241.335 -0.833 20 0 BBADHO CC1([NH3+])CCN(C[C@@H]2CNCCO2)CC1 ZINC000662271497 487517586 /nfs/dbraw/zinc/51/75/86/487517586.db2.gz VIHYNETXDUMYHO-JTQLQIEISA-N 1 3 213.325 -0.212 20 0 BBADHO CC1([NH3+])CCN(C[C@H]2CNCCO2)CC1 ZINC000662271500 487517320 /nfs/dbraw/zinc/51/73/20/487517320.db2.gz VIHYNETXDUMYHO-SNVBAGLBSA-N 1 3 213.325 -0.212 20 0 BBADHO CC(C)[C@H]1CN(C[C@@H]2CNCCO2)CC[NH2+]1 ZINC000662271515 487517106 /nfs/dbraw/zinc/51/71/06/487517106.db2.gz VNZBWPCHVXWXFK-NWDGAFQWSA-N 1 3 227.352 -0.095 20 0 BBADHO CC(C)[C@H]1CN(C[C@H]2CNCCO2)CC[NH2+]1 ZINC000662271516 487517035 /nfs/dbraw/zinc/51/70/35/487517035.db2.gz VNZBWPCHVXWXFK-VXGBXAGGSA-N 1 3 227.352 -0.095 20 0 BBADHO C([C@H]1CCC2(CNC2)O1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662271670 487518634 /nfs/dbraw/zinc/51/86/34/487518634.db2.gz IIVTVSXYMVIZEP-GRYCIOLGSA-N 1 3 237.347 -0.341 20 0 BBADHO C([C@@H]1CCC2(CNC2)O1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662271672 487518864 /nfs/dbraw/zinc/51/88/64/487518864.db2.gz IIVTVSXYMVIZEP-TUAOUCFPSA-N 1 3 237.347 -0.341 20 0 BBADHO C[C@@]1(F)C[NH2+]CCN(C[C@H]2CNCCO2)C1 ZINC000662272349 409579020 /nfs/dbraw/zinc/57/90/20/409579020.db2.gz FIHOREJYDZGGSY-GHMZBOCLSA-N 1 3 231.315 -0.392 20 0 BBADHO C[C@]1(F)C[NH2+]CCN(C[C@H]2CNCCO2)C1 ZINC000662272350 409578455 /nfs/dbraw/zinc/57/84/55/409578455.db2.gz FIHOREJYDZGGSY-MNOVXSKESA-N 1 3 231.315 -0.392 20 0 BBADHO C[C@]1(F)C[NH2+]CCN(C[C@@H]2CNCCO2)C1 ZINC000662272352 409577109 /nfs/dbraw/zinc/57/71/09/409577109.db2.gz FIHOREJYDZGGSY-QWRGUYRKSA-N 1 3 231.315 -0.392 20 0 BBADHO C[C@@]1(F)C[NH2+]CCN(C[C@@H]2CNCCO2)C1 ZINC000662272353 409577274 /nfs/dbraw/zinc/57/72/74/409577274.db2.gz FIHOREJYDZGGSY-WDEREUQCSA-N 1 3 231.315 -0.392 20 0 BBADHO C([C@@H]1CNCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662273099 412066082 /nfs/dbraw/zinc/06/60/82/412066082.db2.gz SOTDWUOGAOZVRT-AXFHLTTASA-N 1 3 211.309 -0.874 20 0 BBADHO C([C@H]1CNCCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662273100 412065130 /nfs/dbraw/zinc/06/51/30/412065130.db2.gz SOTDWUOGAOZVRT-OUAUKWLOSA-N 1 3 211.309 -0.874 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CNCCO1 ZINC000662273191 409580429 /nfs/dbraw/zinc/58/04/29/409580429.db2.gz MKUPXBPJYDTEMC-DCAQKATOSA-N 1 3 231.315 -0.393 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CNCCO1 ZINC000662273192 409580191 /nfs/dbraw/zinc/58/01/91/409580191.db2.gz MKUPXBPJYDTEMC-GARJFASQSA-N 1 3 231.315 -0.393 20 0 BBADHO CN(C[C@@H]1CCC2(CNC2)O1)C1C[NH2+]C1 ZINC000662273197 412065253 /nfs/dbraw/zinc/06/52/53/412065253.db2.gz MSMFALYFGWLHBT-JTQLQIEISA-N 1 3 211.309 -0.589 20 0 BBADHO CN(C[C@H]1CCC2(CNC2)O1)C1C[NH2+]C1 ZINC000662273198 412064843 /nfs/dbraw/zinc/06/48/43/412064843.db2.gz MSMFALYFGWLHBT-SNVBAGLBSA-N 1 3 211.309 -0.589 20 0 BBADHO C[C@]1(C[NH3+])CCN(C[C@H]2CNCCO2)C1 ZINC000662273215 409580829 /nfs/dbraw/zinc/58/08/29/409580829.db2.gz NAJGRDZAEFRZTE-GHMZBOCLSA-N 1 3 213.325 -0.355 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C[C@H]2CNCCO2)C1 ZINC000662273218 409581580 /nfs/dbraw/zinc/58/15/80/409581580.db2.gz NAJGRDZAEFRZTE-MNOVXSKESA-N 1 3 213.325 -0.355 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C[C@@H]2CNCCO2)C1 ZINC000662273234 409581703 /nfs/dbraw/zinc/58/17/03/409581703.db2.gz NAJGRDZAEFRZTE-QWRGUYRKSA-N 1 3 213.325 -0.355 20 0 BBADHO C[C@]1(C[NH3+])CCN(C[C@@H]2CNCCO2)C1 ZINC000662273235 409580483 /nfs/dbraw/zinc/58/04/83/409580483.db2.gz NAJGRDZAEFRZTE-WDEREUQCSA-N 1 3 213.325 -0.355 20 0 BBADHO CN(C[C@@H]1CNCCO1)C1(C[NH3+])CCC1 ZINC000662273260 412064928 /nfs/dbraw/zinc/06/49/28/412064928.db2.gz KWVWLBDJOLLMKC-JTQLQIEISA-N 1 3 213.325 -0.212 20 0 BBADHO CN(C[C@H]1CNCCO1)C1(C[NH3+])CCC1 ZINC000662273261 412065157 /nfs/dbraw/zinc/06/51/57/412065157.db2.gz KWVWLBDJOLLMKC-SNVBAGLBSA-N 1 3 213.325 -0.212 20 0 BBADHO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000662273439 412064870 /nfs/dbraw/zinc/06/48/70/412064870.db2.gz XEAIIACIZITMFI-AXFHLTTASA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1[NH2+]CCN(C[C@@H]2CNCCO2)[C@H]1C ZINC000662273440 412065186 /nfs/dbraw/zinc/06/51/86/412065186.db2.gz XEAIIACIZITMFI-DCAQKATOSA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1[NH2+]CCN(C[C@H]2CNCCO2)[C@H]1C ZINC000662273441 412066284 /nfs/dbraw/zinc/06/62/84/412066284.db2.gz XEAIIACIZITMFI-GARJFASQSA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]1CNCCO1 ZINC000662273442 412065399 /nfs/dbraw/zinc/06/53/99/412065399.db2.gz XEAIIACIZITMFI-HBNTYKKESA-N 1 3 213.325 -0.343 20 0 BBADHO CN(C[C@H]1CNCCO1)[C@H](C[NH3+])C1CC1 ZINC000662273633 490044771 /nfs/dbraw/zinc/04/47/71/490044771.db2.gz PZSZELATHYBGTF-GHMZBOCLSA-N 1 3 213.325 -0.356 20 0 BBADHO CN(C[C@H]1CNCCO1)[C@@H](C[NH3+])C1CC1 ZINC000662273634 490044705 /nfs/dbraw/zinc/04/47/05/490044705.db2.gz PZSZELATHYBGTF-MNOVXSKESA-N 1 3 213.325 -0.356 20 0 BBADHO CN(C[C@@H]1CNCCO1)[C@@H](C[NH3+])C1CC1 ZINC000662273635 490044855 /nfs/dbraw/zinc/04/48/55/490044855.db2.gz PZSZELATHYBGTF-QWRGUYRKSA-N 1 3 213.325 -0.356 20 0 BBADHO CN(C[C@@H]1CNCCO1)[C@H](C[NH3+])C1CC1 ZINC000662273636 490044746 /nfs/dbraw/zinc/04/47/46/490044746.db2.gz PZSZELATHYBGTF-WDEREUQCSA-N 1 3 213.325 -0.356 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662273799 412066255 /nfs/dbraw/zinc/06/62/55/412066255.db2.gz PJMRLPOBFBNHKT-GRYCIOLGSA-N 1 3 225.336 -0.341 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662273800 412064622 /nfs/dbraw/zinc/06/46/22/412064622.db2.gz PJMRLPOBFBNHKT-SDDRHHMPSA-N 1 3 225.336 -0.341 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662273801 412065432 /nfs/dbraw/zinc/06/54/32/412065432.db2.gz PJMRLPOBFBNHKT-SRVKXCTJSA-N 1 3 225.336 -0.341 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662273802 412065495 /nfs/dbraw/zinc/06/54/95/412065495.db2.gz PJMRLPOBFBNHKT-WOPDTQHZSA-N 1 3 225.336 -0.341 20 0 BBADHO C[C@@H]1CN(C[C@H]2CNCCO2)[C@H](C)C[NH2+]1 ZINC000662273832 490044885 /nfs/dbraw/zinc/04/48/85/490044885.db2.gz AENCJSJJNMSKEF-GMTAPVOTSA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1CN(C[C@@H]2CNCCO2)[C@H](C)C[NH2+]1 ZINC000662273834 490045109 /nfs/dbraw/zinc/04/51/09/490045109.db2.gz AENCJSJJNMSKEF-MXWKQRLJSA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1CN(C[C@H]2CNCCO2)[C@@H](C)C[NH2+]1 ZINC000662273837 490044900 /nfs/dbraw/zinc/04/49/00/490044900.db2.gz AENCJSJJNMSKEF-OUAUKWLOSA-N 1 3 213.325 -0.343 20 0 BBADHO C[C@@H]1CN(C[C@@H]2CNCCO2)[C@@H](C)C[NH2+]1 ZINC000662273839 490044694 /nfs/dbraw/zinc/04/46/94/490044694.db2.gz AENCJSJJNMSKEF-VWYCJHECSA-N 1 3 213.325 -0.343 20 0 BBADHO CN(C[C@@H]1CCC2(CNC2)O1)C1CC([NH3+])C1 ZINC000662274085 412066274 /nfs/dbraw/zinc/06/62/74/412066274.db2.gz QYYXUEDUEAVOCU-ILDUYXDCSA-N 1 3 225.336 -0.071 20 0 BBADHO CN(C[C@H]1CCC2(CNC2)O1)C1CC([NH3+])C1 ZINC000662274086 412065698 /nfs/dbraw/zinc/06/56/98/412065698.db2.gz QYYXUEDUEAVOCU-VQXHTEKXSA-N 1 3 225.336 -0.071 20 0 BBADHO C([C@H]1CNCCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274474 412067286 /nfs/dbraw/zinc/06/72/86/412067286.db2.gz ITXLGYDQDYTCLG-QJPTWQEYSA-N 1 3 225.336 -0.341 20 0 BBADHO C([C@@H]1CNCCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274476 412067619 /nfs/dbraw/zinc/06/76/19/412067619.db2.gz ITXLGYDQDYTCLG-SDDRHHMPSA-N 1 3 225.336 -0.341 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CCC2(CNC2)O1 ZINC000662275601 412067909 /nfs/dbraw/zinc/06/79/09/412067909.db2.gz CRVHHRFPDSVZGR-AXFHLTTASA-N 1 3 225.336 -0.071 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662275602 412067483 /nfs/dbraw/zinc/06/74/83/412067483.db2.gz CRVHHRFPDSVZGR-DCAQKATOSA-N 1 3 225.336 -0.071 20 0 BBADHO C([C@H]1CNCCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662276020 487529289 /nfs/dbraw/zinc/52/92/89/487529289.db2.gz IKAPXWUIFGVHNG-GRYCIOLGSA-N 1 3 225.336 -0.199 20 0 BBADHO C([C@@H]1CNCCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662276022 487529143 /nfs/dbraw/zinc/52/91/43/487529143.db2.gz IKAPXWUIFGVHNG-TUAOUCFPSA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)C[C@H]1[NH3+] ZINC000662276517 412068944 /nfs/dbraw/zinc/06/89/44/412068944.db2.gz JJVHJRADJLZQTN-GMTAPVOTSA-N 1 3 225.336 -0.214 20 0 BBADHO C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)C[C@H]1[NH3+] ZINC000662276519 412069455 /nfs/dbraw/zinc/06/94/55/412069455.db2.gz JJVHJRADJLZQTN-OUAUKWLOSA-N 1 3 225.336 -0.214 20 0 BBADHO CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CNCCO1 ZINC000662276832 412068987 /nfs/dbraw/zinc/06/89/87/412068987.db2.gz LMYFIXWDBBKJIN-GHMZBOCLSA-N 1 3 227.352 -0.048 20 0 BBADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CNCCO1 ZINC000662276833 412068790 /nfs/dbraw/zinc/06/87/90/412068790.db2.gz LMYFIXWDBBKJIN-MNOVXSKESA-N 1 3 227.352 -0.048 20 0 BBADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CNCCO1 ZINC000662276834 412069691 /nfs/dbraw/zinc/06/96/91/412069691.db2.gz LMYFIXWDBBKJIN-QWRGUYRKSA-N 1 3 227.352 -0.048 20 0 BBADHO CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1CNCCO1 ZINC000662276835 412068665 /nfs/dbraw/zinc/06/86/65/412068665.db2.gz LMYFIXWDBBKJIN-WDEREUQCSA-N 1 3 227.352 -0.048 20 0 BBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1CNCCO1 ZINC000662276840 409589802 /nfs/dbraw/zinc/58/98/02/409589802.db2.gz LPWCZEHYGLFLIQ-DDHJBXDOSA-N 1 3 227.352 -0.049 20 0 BBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H]1CNCCO1 ZINC000662276841 409590512 /nfs/dbraw/zinc/59/05/12/409590512.db2.gz LPWCZEHYGLFLIQ-KKOKHZNYSA-N 1 3 227.352 -0.049 20 0 BBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H]1CNCCO1 ZINC000662276842 409591262 /nfs/dbraw/zinc/59/12/62/409591262.db2.gz LPWCZEHYGLFLIQ-WISYIIOYSA-N 1 3 227.352 -0.049 20 0 BBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@@H]1CNCCO1 ZINC000662276843 409591633 /nfs/dbraw/zinc/59/16/33/409591633.db2.gz LPWCZEHYGLFLIQ-WYUUTHIRSA-N 1 3 227.352 -0.049 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CNCCO1 ZINC000662277628 412069956 /nfs/dbraw/zinc/06/99/56/412069956.db2.gz QWIDUWFSBPYHOM-NXEZZACHSA-N 1 3 215.341 -0.062 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CNCCO1 ZINC000662277629 412068870 /nfs/dbraw/zinc/06/88/70/412068870.db2.gz QWIDUWFSBPYHOM-UWVGGRQHSA-N 1 3 215.341 -0.062 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CNCCO1 ZINC000662277631 412069785 /nfs/dbraw/zinc/06/97/85/412069785.db2.gz QWIDUWFSBPYHOM-VHSXEESVSA-N 1 3 215.341 -0.062 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CNCCO1 ZINC000662277632 412069064 /nfs/dbraw/zinc/06/90/64/412069064.db2.gz QWIDUWFSBPYHOM-ZJUUUORDSA-N 1 3 215.341 -0.062 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662277934 412071582 /nfs/dbraw/zinc/07/15/82/412071582.db2.gz YIBGUYJWIHZUHJ-GRYCIOLGSA-N 1 3 225.336 -0.341 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662277935 412071415 /nfs/dbraw/zinc/07/14/15/412071415.db2.gz YIBGUYJWIHZUHJ-SDDRHHMPSA-N 1 3 225.336 -0.341 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662277936 412071048 /nfs/dbraw/zinc/07/10/48/412071048.db2.gz YIBGUYJWIHZUHJ-SRVKXCTJSA-N 1 3 225.336 -0.341 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662277938 412071285 /nfs/dbraw/zinc/07/12/85/412071285.db2.gz YIBGUYJWIHZUHJ-WOPDTQHZSA-N 1 3 225.336 -0.341 20 0 BBADHO C[NH2+]CCCN(C)C[C@@H]1CNCCO1 ZINC000662280614 412071234 /nfs/dbraw/zinc/07/12/34/412071234.db2.gz GGPKSZOWPAZWTF-JTQLQIEISA-N 1 3 201.314 -0.484 20 0 BBADHO C[NH2+]CCCN(C)C[C@H]1CNCCO1 ZINC000662280615 412071666 /nfs/dbraw/zinc/07/16/66/412071666.db2.gz GGPKSZOWPAZWTF-SNVBAGLBSA-N 1 3 201.314 -0.484 20 0 BBADHO COC[C@@H](C[N@H+]1CCCO[C@H](CN)C1)OC ZINC000662280963 412072296 /nfs/dbraw/zinc/07/22/96/412072296.db2.gz IYPDOGLUERRYNL-GHMZBOCLSA-N 1 3 232.324 -0.303 20 0 BBADHO COC[C@@H](C[N@@H+]1CCCO[C@H](CN)C1)OC ZINC000662280963 412072293 /nfs/dbraw/zinc/07/22/93/412072293.db2.gz IYPDOGLUERRYNL-GHMZBOCLSA-N 1 3 232.324 -0.303 20 0 BBADHO COC[C@H](C[N@H+]1CCCO[C@H](CN)C1)OC ZINC000662280964 412073250 /nfs/dbraw/zinc/07/32/50/412073250.db2.gz IYPDOGLUERRYNL-MNOVXSKESA-N 1 3 232.324 -0.303 20 0 BBADHO COC[C@H](C[N@@H+]1CCCO[C@H](CN)C1)OC ZINC000662280964 412073249 /nfs/dbraw/zinc/07/32/49/412073249.db2.gz IYPDOGLUERRYNL-MNOVXSKESA-N 1 3 232.324 -0.303 20 0 BBADHO COC[C@H](C[N@H+]1CCCO[C@@H](CN)C1)OC ZINC000662280965 412072856 /nfs/dbraw/zinc/07/28/56/412072856.db2.gz IYPDOGLUERRYNL-QWRGUYRKSA-N 1 3 232.324 -0.303 20 0 BBADHO COC[C@H](C[N@@H+]1CCCO[C@@H](CN)C1)OC ZINC000662280965 412072854 /nfs/dbraw/zinc/07/28/54/412072854.db2.gz IYPDOGLUERRYNL-QWRGUYRKSA-N 1 3 232.324 -0.303 20 0 BBADHO COC[C@@H](C[N@H+]1CCCO[C@@H](CN)C1)OC ZINC000662280966 412072584 /nfs/dbraw/zinc/07/25/84/412072584.db2.gz IYPDOGLUERRYNL-WDEREUQCSA-N 1 3 232.324 -0.303 20 0 BBADHO COC[C@@H](C[N@@H+]1CCCO[C@@H](CN)C1)OC ZINC000662280966 412072579 /nfs/dbraw/zinc/07/25/79/412072579.db2.gz IYPDOGLUERRYNL-WDEREUQCSA-N 1 3 232.324 -0.303 20 0 BBADHO C([C@H]1CNCCO1)N1CCC2(CC[NH2+]2)CC1 ZINC000662282246 412073201 /nfs/dbraw/zinc/07/32/01/412073201.db2.gz DXJAQXSJUNHGQB-LLVKDONJSA-N 1 3 225.336 -0.197 20 0 BBADHO C([C@@H]1CNCCO1)N1CCC2(CC[NH2+]2)CC1 ZINC000662282247 412072334 /nfs/dbraw/zinc/07/23/34/412072334.db2.gz DXJAQXSJUNHGQB-NSHDSACASA-N 1 3 225.336 -0.197 20 0 BBADHO CN1CCC[C@H](N2CCC(O)(C[NH3+])CC2)C1=O ZINC000662283071 412075261 /nfs/dbraw/zinc/07/52/61/412075261.db2.gz KHWGAQLLZVVTDU-JTQLQIEISA-N 1 3 241.335 -0.607 20 0 BBADHO CN1CCC[C@@H](N2CCC(O)(C[NH3+])CC2)C1=O ZINC000662283072 412074486 /nfs/dbraw/zinc/07/44/86/412074486.db2.gz KHWGAQLLZVVTDU-SNVBAGLBSA-N 1 3 241.335 -0.607 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CNCCO1 ZINC000662283274 409611695 /nfs/dbraw/zinc/61/16/95/409611695.db2.gz GTNCFTXDLNUUSR-GMTAPVOTSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CNCCO1 ZINC000662283275 409611620 /nfs/dbraw/zinc/61/16/20/409611620.db2.gz GTNCFTXDLNUUSR-MXWKQRLJSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CNCCO1 ZINC000662283276 409611407 /nfs/dbraw/zinc/61/14/07/409611407.db2.gz GTNCFTXDLNUUSR-OUAUKWLOSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CNCCO1 ZINC000662283277 409611154 /nfs/dbraw/zinc/61/11/54/409611154.db2.gz GTNCFTXDLNUUSR-VWYCJHECSA-N 1 3 213.325 -0.214 20 0 BBADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CNCCO1 ZINC000662284259 409615640 /nfs/dbraw/zinc/61/56/40/409615640.db2.gz UVHMFYPFZBVAMS-GMTAPVOTSA-N 1 3 213.325 -0.166 20 0 BBADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CNCCO1 ZINC000662284265 409615093 /nfs/dbraw/zinc/61/50/93/409615093.db2.gz UVHMFYPFZBVAMS-HBNTYKKESA-N 1 3 213.325 -0.166 20 0 BBADHO CCO[C@@H]1CN(C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662284431 412074955 /nfs/dbraw/zinc/07/49/55/412074955.db2.gz HODFLQKZWGHWRJ-GRYCIOLGSA-N 1 3 243.351 -0.730 20 0 BBADHO CCO[C@@H]1CN(C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662284433 412075577 /nfs/dbraw/zinc/07/55/77/412075577.db2.gz HODFLQKZWGHWRJ-IJLUTSLNSA-N 1 3 243.351 -0.730 20 0 BBADHO C[C@@H]1CCN(C[C@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662284455 412074435 /nfs/dbraw/zinc/07/44/35/412074435.db2.gz YIHOLPLNXUOZGV-GRYCIOLGSA-N 1 3 227.352 -0.109 20 0 BBADHO C[C@@H]1CCN(C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662284456 412074841 /nfs/dbraw/zinc/07/48/41/412074841.db2.gz YIHOLPLNXUOZGV-IJLUTSLNSA-N 1 3 227.352 -0.109 20 0 BBADHO C[C@@H]1CCN(C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662284457 412075966 /nfs/dbraw/zinc/07/59/66/412075966.db2.gz YIHOLPLNXUOZGV-UTUOFQBUSA-N 1 3 227.352 -0.109 20 0 BBADHO C[C@@H]1CCN(C[C@@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662284458 412075437 /nfs/dbraw/zinc/07/54/37/412075437.db2.gz YIHOLPLNXUOZGV-WOPDTQHZSA-N 1 3 227.352 -0.109 20 0 BBADHO Cc1cnn(CC[NH2+]C2(CO)CCNCC2)c1 ZINC000662284974 412077458 /nfs/dbraw/zinc/07/74/58/412077458.db2.gz SOHVHAMBZJUJBQ-UHFFFAOYSA-N 1 3 238.335 -0.104 20 0 BBADHO COCCCNC1(CO)CC[NH2+]CC1 ZINC000662285044 412077382 /nfs/dbraw/zinc/07/73/82/412077382.db2.gz VFJQWWNJIRKETK-UHFFFAOYSA-N 1 3 202.298 -0.273 20 0 BBADHO CCN(C)C(=O)CC[NH2+]C1(CO)CCNCC1 ZINC000662285050 412078146 /nfs/dbraw/zinc/07/81/46/412078146.db2.gz VIPOALJXZKYPRD-UHFFFAOYSA-N 1 3 243.351 -0.441 20 0 BBADHO CC(=O)NCCN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662286211 412077416 /nfs/dbraw/zinc/07/74/16/412077416.db2.gz PPWGVOCYMGQVTH-LLVKDONJSA-N 1 3 241.335 -0.425 20 0 BBADHO CC(=O)NCCN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662286212 409619158 /nfs/dbraw/zinc/61/91/58/409619158.db2.gz PPWGVOCYMGQVTH-NSHDSACASA-N 1 3 241.335 -0.425 20 0 BBADHO CCOCC[NH2+]C1(CO)CCNCC1 ZINC000662286317 412078410 /nfs/dbraw/zinc/07/84/10/412078410.db2.gz ZJYDSJCYVCLXJD-UHFFFAOYSA-N 1 3 202.298 -0.273 20 0 BBADHO OCC1([NH2+]CCN2CCOCC2)CCNCC1 ZINC000662286986 412079897 /nfs/dbraw/zinc/07/98/97/412079897.db2.gz OQQFPEKMTYEXBV-UHFFFAOYSA-N 1 3 243.351 -0.977 20 0 BBADHO OCC1([NH2+]CCOCC(F)F)CCNCC1 ZINC000662287240 412079477 /nfs/dbraw/zinc/07/94/77/412079477.db2.gz WGNFFOUBZVWEIO-UHFFFAOYSA-N 1 3 238.278 -0.028 20 0 BBADHO OCC1([NH2+]CCn2cccn2)CCNCC1 ZINC000662287367 412080446 /nfs/dbraw/zinc/08/04/46/412080446.db2.gz YQNNHFVQIQLADP-UHFFFAOYSA-N 1 3 224.308 -0.413 20 0 BBADHO CN(C[C@H]1CNCCO1)CC(C)(C)[NH3+] ZINC000662292927 412081687 /nfs/dbraw/zinc/08/16/87/412081687.db2.gz CAKXIQLYQRTHKQ-SECBINFHSA-N 1 3 201.314 -0.356 20 0 BBADHO CN(C[C@@H]1CNCCO1)CC(C)(C)[NH3+] ZINC000662292928 412082342 /nfs/dbraw/zinc/08/23/42/412082342.db2.gz CAKXIQLYQRTHKQ-VIFPVBQESA-N 1 3 201.314 -0.356 20 0 BBADHO CN(CCC(=O)N1CCNCC1)CC(C)(C)[NH3+] ZINC000662295300 412085229 /nfs/dbraw/zinc/08/52/29/412085229.db2.gz PKELIVVUIAITIY-UHFFFAOYSA-N 1 3 242.367 -0.523 20 0 BBADHO C[C@@H](N)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296916 412084248 /nfs/dbraw/zinc/08/42/48/412084248.db2.gz XJFNWQSKXKBLBR-NXEZZACHSA-N 1 3 209.297 -0.053 20 0 BBADHO C[C@@H](N)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296916 412084246 /nfs/dbraw/zinc/08/42/46/412084246.db2.gz XJFNWQSKXKBLBR-NXEZZACHSA-N 1 3 209.297 -0.053 20 0 BBADHO C[C@H](N)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296917 412084660 /nfs/dbraw/zinc/08/46/60/412084660.db2.gz XJFNWQSKXKBLBR-UWVGGRQHSA-N 1 3 209.297 -0.053 20 0 BBADHO C[C@H](N)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296917 412084656 /nfs/dbraw/zinc/08/46/56/412084656.db2.gz XJFNWQSKXKBLBR-UWVGGRQHSA-N 1 3 209.297 -0.053 20 0 BBADHO C[C@H](N)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296918 412083742 /nfs/dbraw/zinc/08/37/42/412083742.db2.gz XJFNWQSKXKBLBR-VHSXEESVSA-N 1 3 209.297 -0.053 20 0 BBADHO C[C@H](N)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296918 412083738 /nfs/dbraw/zinc/08/37/38/412083738.db2.gz XJFNWQSKXKBLBR-VHSXEESVSA-N 1 3 209.297 -0.053 20 0 BBADHO C[C@@H](N)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296919 412083383 /nfs/dbraw/zinc/08/33/83/412083383.db2.gz XJFNWQSKXKBLBR-ZJUUUORDSA-N 1 3 209.297 -0.053 20 0 BBADHO C[C@@H](N)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296919 412083380 /nfs/dbraw/zinc/08/33/80/412083380.db2.gz XJFNWQSKXKBLBR-ZJUUUORDSA-N 1 3 209.297 -0.053 20 0 BBADHO [NH3+]CC12CC(C1)CN2C[C@@H]1CCC2(CNC2)O1 ZINC000662304868 412090270 /nfs/dbraw/zinc/09/02/70/412090270.db2.gz CPJGJJHIHHAQEZ-CXQJBGSLSA-N 1 3 237.347 -0.070 20 0 BBADHO [NH3+]CC12CC(C1)CN2C[C@H]1CCC2(CNC2)O1 ZINC000662304872 412090416 /nfs/dbraw/zinc/09/04/16/412090416.db2.gz CPJGJJHIHHAQEZ-MOENNCHZSA-N 1 3 237.347 -0.070 20 0 BBADHO [NH3+]CC12CC(C1)CN2C[C@H]1CNCCO1 ZINC000662304918 412091291 /nfs/dbraw/zinc/09/12/91/412091291.db2.gz DKOWUECQIWBLMS-HSOILSAZSA-N 1 3 211.309 -0.602 20 0 BBADHO [NH3+]CC12CC(C1)CN2C[C@@H]1CNCCO1 ZINC000662304919 412091976 /nfs/dbraw/zinc/09/19/76/412091976.db2.gz DKOWUECQIWBLMS-YVNMAJEFSA-N 1 3 211.309 -0.602 20 0 BBADHO CN(CCOCC[NH3+])C[C@H]1COCCO1 ZINC000662305320 412090596 /nfs/dbraw/zinc/09/05/96/412090596.db2.gz FDJTUVWNNADEPE-JTQLQIEISA-N 1 3 218.297 -0.691 20 0 BBADHO CN(CCOCC[NH3+])C[C@@H]1COCCO1 ZINC000662305321 412091897 /nfs/dbraw/zinc/09/18/97/412091897.db2.gz FDJTUVWNNADEPE-SNVBAGLBSA-N 1 3 218.297 -0.691 20 0 BBADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1COCCO1 ZINC000662305636 412091914 /nfs/dbraw/zinc/09/19/14/412091914.db2.gz IYIGDQHNOZAISM-GFCCVEGCSA-N 1 3 243.351 -0.761 20 0 BBADHO CN(CCN1CC[NH2+]CC1)C[C@H]1COCCO1 ZINC000662305637 412090995 /nfs/dbraw/zinc/09/09/95/412090995.db2.gz IYIGDQHNOZAISM-LBPRGKRZSA-N 1 3 243.351 -0.761 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000662311619 412091152 /nfs/dbraw/zinc/09/11/52/412091152.db2.gz UYHFEARBZHZMLY-SRVKXCTJSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000662311619 412091148 /nfs/dbraw/zinc/09/11/48/412091148.db2.gz UYHFEARBZHZMLY-SRVKXCTJSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000662311619 412091145 /nfs/dbraw/zinc/09/11/45/412091145.db2.gz UYHFEARBZHZMLY-SRVKXCTJSA-N 1 3 228.336 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1C[C@H]2COC[C@@]2(C)C1 ZINC000662311620 412091951 /nfs/dbraw/zinc/09/19/51/412091951.db2.gz UYHFEARBZHZMLY-TUAOUCFPSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000662311620 412091947 /nfs/dbraw/zinc/09/19/47/412091947.db2.gz UYHFEARBZHZMLY-TUAOUCFPSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000662311620 412091945 /nfs/dbraw/zinc/09/19/45/412091945.db2.gz UYHFEARBZHZMLY-TUAOUCFPSA-N 1 3 228.336 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000662311621 412091452 /nfs/dbraw/zinc/09/14/52/412091452.db2.gz UYHFEARBZHZMLY-UTUOFQBUSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000662311621 412091450 /nfs/dbraw/zinc/09/14/50/412091450.db2.gz UYHFEARBZHZMLY-UTUOFQBUSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000662311621 412091448 /nfs/dbraw/zinc/09/14/48/412091448.db2.gz UYHFEARBZHZMLY-UTUOFQBUSA-N 1 3 228.336 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1C[C@@H]2COC[C@]2(C)C1 ZINC000662311622 412090899 /nfs/dbraw/zinc/09/08/99/412090899.db2.gz UYHFEARBZHZMLY-WOPDTQHZSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000662311622 412090893 /nfs/dbraw/zinc/09/08/93/412090893.db2.gz UYHFEARBZHZMLY-WOPDTQHZSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000662311622 412090890 /nfs/dbraw/zinc/09/08/90/412090890.db2.gz UYHFEARBZHZMLY-WOPDTQHZSA-N 1 3 228.336 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CC[C@H]2COC[C@@H]2C1 ZINC000662314717 409634671 /nfs/dbraw/zinc/63/46/71/409634671.db2.gz BEFGCMIUOHKAII-SRVKXCTJSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662314717 409634664 /nfs/dbraw/zinc/63/46/64/409634664.db2.gz BEFGCMIUOHKAII-SRVKXCTJSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662314717 409634659 /nfs/dbraw/zinc/63/46/59/409634659.db2.gz BEFGCMIUOHKAII-SRVKXCTJSA-N 1 3 228.336 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CC[C@H]2COC[C@H]2C1 ZINC000662314718 409634747 /nfs/dbraw/zinc/63/47/47/409634747.db2.gz BEFGCMIUOHKAII-TUAOUCFPSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662314718 409634735 /nfs/dbraw/zinc/63/47/35/409634735.db2.gz BEFGCMIUOHKAII-TUAOUCFPSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662314718 409634732 /nfs/dbraw/zinc/63/47/32/409634732.db2.gz BEFGCMIUOHKAII-TUAOUCFPSA-N 1 3 228.336 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H]2COC[C@H]2C1 ZINC000662314719 409635047 /nfs/dbraw/zinc/63/50/47/409635047.db2.gz BEFGCMIUOHKAII-UTUOFQBUSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662314719 409635045 /nfs/dbraw/zinc/63/50/45/409635045.db2.gz BEFGCMIUOHKAII-UTUOFQBUSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662314719 409635039 /nfs/dbraw/zinc/63/50/39/409635039.db2.gz BEFGCMIUOHKAII-UTUOFQBUSA-N 1 3 228.336 -0.075 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662314720 409634703 /nfs/dbraw/zinc/63/47/03/409634703.db2.gz BEFGCMIUOHKAII-WOPDTQHZSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662314720 409634697 /nfs/dbraw/zinc/63/46/97/409634697.db2.gz BEFGCMIUOHKAII-WOPDTQHZSA-N 1 3 228.336 -0.075 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662314720 409634691 /nfs/dbraw/zinc/63/46/91/409634691.db2.gz BEFGCMIUOHKAII-WOPDTQHZSA-N 1 3 228.336 -0.075 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000662315082 412096622 /nfs/dbraw/zinc/09/66/22/412096622.db2.gz LFUNAHJXPZUUSR-GHMZBOCLSA-N 1 3 229.324 -0.846 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000662315082 412096617 /nfs/dbraw/zinc/09/66/17/412096617.db2.gz LFUNAHJXPZUUSR-GHMZBOCLSA-N 1 3 229.324 -0.846 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000662315082 412096612 /nfs/dbraw/zinc/09/66/12/412096612.db2.gz LFUNAHJXPZUUSR-GHMZBOCLSA-N 1 3 229.324 -0.846 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000662315100 412096670 /nfs/dbraw/zinc/09/66/70/412096670.db2.gz LFUNAHJXPZUUSR-MNOVXSKESA-N 1 3 229.324 -0.846 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000662315100 412096667 /nfs/dbraw/zinc/09/66/67/412096667.db2.gz LFUNAHJXPZUUSR-MNOVXSKESA-N 1 3 229.324 -0.846 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000662315100 412096664 /nfs/dbraw/zinc/09/66/64/412096664.db2.gz LFUNAHJXPZUUSR-MNOVXSKESA-N 1 3 229.324 -0.846 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CC[C@](C)(C(N)=O)C1 ZINC000662315103 412096827 /nfs/dbraw/zinc/09/68/27/412096827.db2.gz LFUNAHJXPZUUSR-QWRGUYRKSA-N 1 3 229.324 -0.846 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000662315103 412096823 /nfs/dbraw/zinc/09/68/23/412096823.db2.gz LFUNAHJXPZUUSR-QWRGUYRKSA-N 1 3 229.324 -0.846 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000662315103 412096819 /nfs/dbraw/zinc/09/68/19/412096819.db2.gz LFUNAHJXPZUUSR-QWRGUYRKSA-N 1 3 229.324 -0.846 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@](C)(C(N)=O)C1 ZINC000662315106 412095922 /nfs/dbraw/zinc/09/59/22/412095922.db2.gz LFUNAHJXPZUUSR-WDEREUQCSA-N 1 3 229.324 -0.846 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000662315106 412095920 /nfs/dbraw/zinc/09/59/20/412095920.db2.gz LFUNAHJXPZUUSR-WDEREUQCSA-N 1 3 229.324 -0.846 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000662315106 412095919 /nfs/dbraw/zinc/09/59/19/412095919.db2.gz LFUNAHJXPZUUSR-WDEREUQCSA-N 1 3 229.324 -0.846 20 0 BBADHO NCC[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000662315375 412095334 /nfs/dbraw/zinc/09/53/34/412095334.db2.gz NCKIMWAHSUNKLA-UHFFFAOYSA-N 1 3 227.352 -0.011 20 0 BBADHO NCC[N@H+](CCN1CCOCC1)CC1CC1 ZINC000662315375 412095329 /nfs/dbraw/zinc/09/53/29/412095329.db2.gz NCKIMWAHSUNKLA-UHFFFAOYSA-N 1 3 227.352 -0.011 20 0 BBADHO C(CN1CC[C@@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662318269 409636406 /nfs/dbraw/zinc/63/64/06/409636406.db2.gz YMARYZLCWMMOOL-CHWSQXEVSA-N 1 3 239.363 -0.140 20 0 BBADHO C(CN1CC[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662318272 409637147 /nfs/dbraw/zinc/63/71/47/409637147.db2.gz YMARYZLCWMMOOL-OLZOCXBDSA-N 1 3 239.363 -0.140 20 0 BBADHO C(CN1CC[C@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662318275 409637200 /nfs/dbraw/zinc/63/72/00/409637200.db2.gz YMARYZLCWMMOOL-QWHCGFSZSA-N 1 3 239.363 -0.140 20 0 BBADHO C(CN1CC[C@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662318276 409636242 /nfs/dbraw/zinc/63/62/42/409636242.db2.gz YMARYZLCWMMOOL-STQMWFEESA-N 1 3 239.363 -0.140 20 0 BBADHO N[C@@H]1CN(CCN2CC[NH2+]CC2)CC[C@H]1F ZINC000662321748 412100949 /nfs/dbraw/zinc/10/09/49/412100949.db2.gz CXNJNDNUKHUSAM-GHMZBOCLSA-N 1 3 230.331 -0.737 20 0 BBADHO N[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662322141 412100674 /nfs/dbraw/zinc/10/06/74/412100674.db2.gz LCZNEYFTYMQZBM-IVZWLZJFSA-N 1 3 201.289 -0.033 20 0 BBADHO N[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662322175 412099620 /nfs/dbraw/zinc/09/96/20/412099620.db2.gz LCZNEYFTYMQZBM-OPRDCNLKSA-N 1 3 201.289 -0.033 20 0 BBADHO N[C@@H]1CN(CCOCC[NH3+])CC[C@H]1F ZINC000662323980 409639732 /nfs/dbraw/zinc/63/97/32/409639732.db2.gz RRIJRKFDFKNZEX-RKDXNWHRSA-N 1 3 205.277 -0.667 20 0 BBADHO N[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1F ZINC000662325312 412103188 /nfs/dbraw/zinc/10/31/88/412103188.db2.gz DRAPOFGXQFUONQ-GMTAPVOTSA-N 1 3 243.326 -0.122 20 0 BBADHO N[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1F ZINC000662325315 412103799 /nfs/dbraw/zinc/10/37/99/412103799.db2.gz DRAPOFGXQFUONQ-HBNTYKKESA-N 1 3 243.326 -0.122 20 0 BBADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662326300 412102205 /nfs/dbraw/zinc/10/22/05/412102205.db2.gz QUJAHAWZAXXRTO-BBBLOLIVSA-N 1 3 219.304 -0.672 20 0 BBADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662326301 412102999 /nfs/dbraw/zinc/10/29/99/412102999.db2.gz QUJAHAWZAXXRTO-OPRDCNLKSA-N 1 3 219.304 -0.672 20 0 BBADHO CN(C[C@H]1CNCCO1)[C@H](C[NH3+])C(F)(F)F ZINC000662332031 409647455 /nfs/dbraw/zinc/64/74/55/409647455.db2.gz SGSCUULVTYAMEW-HTQZYQBOSA-N 1 3 241.257 -0.204 20 0 BBADHO CN(C[C@@H]1CNCCO1)[C@H](C[NH3+])C(F)(F)F ZINC000662332037 409648604 /nfs/dbraw/zinc/64/86/04/409648604.db2.gz SGSCUULVTYAMEW-JGVFFNPUSA-N 1 3 241.257 -0.204 20 0 BBADHO CN(C[C@H]1CNCCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000662332038 409648759 /nfs/dbraw/zinc/64/87/59/409648759.db2.gz SGSCUULVTYAMEW-SFYZADRCSA-N 1 3 241.257 -0.204 20 0 BBADHO CN(C[C@@H]1CNCCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000662332039 409648577 /nfs/dbraw/zinc/64/85/77/409648577.db2.gz SGSCUULVTYAMEW-YUMQZZPRSA-N 1 3 241.257 -0.204 20 0 BBADHO [NH3+]CCNC(=O)c1cccc2c1CNC2 ZINC000662390584 412142211 /nfs/dbraw/zinc/14/22/11/412142211.db2.gz NJWMJHCPHMIKTR-UHFFFAOYSA-N 1 3 205.261 -0.022 20 0 BBADHO C[NH2+]CCNC(=O)C1(NC2CC2)CCC1 ZINC000662408485 412153596 /nfs/dbraw/zinc/15/35/96/412153596.db2.gz UMUIJZJZHCSBQV-UHFFFAOYSA-N 1 3 211.309 -0.003 20 0 BBADHO C[NH2+]CCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662409475 412154788 /nfs/dbraw/zinc/15/47/88/412154788.db2.gz MRZHPYJQMRXGLJ-UHFFFAOYSA-N 1 3 211.309 -0.016 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@@H](C)N1 ZINC000662416019 412158843 /nfs/dbraw/zinc/15/88/43/412158843.db2.gz QHKBBHQMPQLZSJ-DBIOUOCHSA-N 1 3 241.335 -0.441 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@@H](C)N1 ZINC000662416020 412158371 /nfs/dbraw/zinc/15/83/71/412158371.db2.gz QHKBBHQMPQLZSJ-GWOFURMSSA-N 1 3 241.335 -0.441 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H](C)N1 ZINC000662416021 412158775 /nfs/dbraw/zinc/15/87/75/412158775.db2.gz QHKBBHQMPQLZSJ-LMLFDSFASA-N 1 3 241.335 -0.441 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H](C)N1 ZINC000662416022 412158667 /nfs/dbraw/zinc/15/86/67/412158667.db2.gz QHKBBHQMPQLZSJ-YTWAJWBKSA-N 1 3 241.335 -0.441 20 0 BBADHO CC1(C)CNCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662424042 412163902 /nfs/dbraw/zinc/16/39/02/412163902.db2.gz MTACMSVJFQRJCR-KYZUINATSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)[NH2+]CC(=O)N1CCN(C)C[C@@H]1CN ZINC000662428351 412167015 /nfs/dbraw/zinc/16/70/15/412167015.db2.gz IPMDISTTWRWXAH-JTQLQIEISA-N 1 3 228.340 -0.914 20 0 BBADHO CC(C)[NH2+]CC(=O)N1CCN(C)C[C@H]1CN ZINC000662428354 412167265 /nfs/dbraw/zinc/16/72/65/412167265.db2.gz IPMDISTTWRWXAH-SNVBAGLBSA-N 1 3 228.340 -0.914 20 0 BBADHO CC[C@@H]([NH2+]C)C(=O)N1CCN(C)C[C@H]1CN ZINC000662429733 409712130 /nfs/dbraw/zinc/71/21/30/409712130.db2.gz SHHFMTBBPMOKPV-NXEZZACHSA-N 1 3 228.340 -0.914 20 0 BBADHO CC[C@H]([NH2+]C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000662429734 409711522 /nfs/dbraw/zinc/71/15/22/409711522.db2.gz SHHFMTBBPMOKPV-UWVGGRQHSA-N 1 3 228.340 -0.914 20 0 BBADHO CC[C@@H]([NH2+]C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000662429735 409712241 /nfs/dbraw/zinc/71/22/41/409712241.db2.gz SHHFMTBBPMOKPV-VHSXEESVSA-N 1 3 228.340 -0.914 20 0 BBADHO CC[C@H]([NH2+]C)C(=O)N1CCN(C)C[C@H]1CN ZINC000662429736 409711805 /nfs/dbraw/zinc/71/18/05/409711805.db2.gz SHHFMTBBPMOKPV-ZJUUUORDSA-N 1 3 228.340 -0.914 20 0 BBADHO CN[C@@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000662431997 412168070 /nfs/dbraw/zinc/16/80/70/412168070.db2.gz NXMXRVRSUJBOEX-CIUDSAMLSA-N 1 3 215.297 -0.831 20 0 BBADHO CN[C@@H](C)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000662431998 412168396 /nfs/dbraw/zinc/16/83/96/412168396.db2.gz NXMXRVRSUJBOEX-HRDYMLBCSA-N 1 3 215.297 -0.831 20 0 BBADHO CN[C@@H](C)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000662431999 412168604 /nfs/dbraw/zinc/16/86/04/412168604.db2.gz NXMXRVRSUJBOEX-VGMNWLOBSA-N 1 3 215.297 -0.831 20 0 BBADHO CN[C@@H](C)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000662432000 412169093 /nfs/dbraw/zinc/16/90/93/412169093.db2.gz NXMXRVRSUJBOEX-XHNCKOQMSA-N 1 3 215.297 -0.831 20 0 BBADHO CC[C@H]([NH2+]C)C(=O)NCCN(C)CCOC ZINC000662440022 412176628 /nfs/dbraw/zinc/17/66/28/412176628.db2.gz WGXUINGYBCXMEH-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO CC[C@@H]([NH2+]C)C(=O)NCCN(C)CCOC ZINC000662440023 409718552 /nfs/dbraw/zinc/71/85/52/409718552.db2.gz WGXUINGYBCXMEH-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662519824 412202734 /nfs/dbraw/zinc/20/27/34/412202734.db2.gz WHDMIKWBAAASHD-AEJSXWLSSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662519825 412202678 /nfs/dbraw/zinc/20/26/78/412202678.db2.gz WHDMIKWBAAASHD-GUBZILKMSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662519826 412202334 /nfs/dbraw/zinc/20/23/34/412202334.db2.gz WHDMIKWBAAASHD-IVZWLZJFSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662519827 412202501 /nfs/dbraw/zinc/20/25/01/412202501.db2.gz WHDMIKWBAAASHD-LPEHRKFASA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662520984 412202696 /nfs/dbraw/zinc/20/26/96/412202696.db2.gz NHHPXVBKTNBMRA-AEJSXWLSSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662520985 412203066 /nfs/dbraw/zinc/20/30/66/412203066.db2.gz NHHPXVBKTNBMRA-GUBZILKMSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662520986 412197908 /nfs/dbraw/zinc/19/79/08/412197908.db2.gz NHHPXVBKTNBMRA-IVZWLZJFSA-N 1 3 211.309 -0.195 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662520987 412198642 /nfs/dbraw/zinc/19/86/42/412198642.db2.gz NHHPXVBKTNBMRA-LPEHRKFASA-N 1 3 211.309 -0.195 20 0 BBADHO CC[C@H]([NH2+]C)C(=O)NCCOCCN(C)C ZINC000662535258 412208908 /nfs/dbraw/zinc/20/89/08/412208908.db2.gz KHMGWZOFJWLYIU-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO CC[C@@H]([NH2+]C)C(=O)NCCOCCN(C)C ZINC000662535259 412208312 /nfs/dbraw/zinc/20/83/12/412208312.db2.gz KHMGWZOFJWLYIU-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO CC(C)NCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662559112 412217899 /nfs/dbraw/zinc/21/78/99/412217899.db2.gz RVHHCCRHIJNNKD-AOOOYVTPSA-N 1 3 211.309 -0.338 20 0 BBADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000662566205 409761097 /nfs/dbraw/zinc/76/10/97/409761097.db2.gz UDKZQLUGDRIATA-CIUDSAMLSA-N 1 3 217.288 -0.199 20 0 BBADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000662566206 409759937 /nfs/dbraw/zinc/75/99/37/409759937.db2.gz UDKZQLUGDRIATA-XHNCKOQMSA-N 1 3 217.288 -0.199 20 0 BBADHO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CNCCO1 ZINC000662573716 412226546 /nfs/dbraw/zinc/22/65/46/412226546.db2.gz JTQLSGCVHNOYNI-BDAKNGLRSA-N 1 3 215.297 -0.911 20 0 BBADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CNCCO1 ZINC000662573717 412226158 /nfs/dbraw/zinc/22/61/58/412226158.db2.gz JTQLSGCVHNOYNI-DTWKUNHWSA-N 1 3 215.297 -0.911 20 0 BBADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CNCCO1 ZINC000662573718 412225845 /nfs/dbraw/zinc/22/58/45/412225845.db2.gz JTQLSGCVHNOYNI-IUCAKERBSA-N 1 3 215.297 -0.911 20 0 BBADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CNCCO1 ZINC000662573719 412221056 /nfs/dbraw/zinc/22/10/56/412221056.db2.gz JTQLSGCVHNOYNI-RKDXNWHRSA-N 1 3 215.297 -0.911 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000662573724 412226613 /nfs/dbraw/zinc/22/66/13/412226613.db2.gz JXFLMIUEFFQSLO-KXUCPTDWSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000662573725 412226003 /nfs/dbraw/zinc/22/60/03/412226003.db2.gz JXFLMIUEFFQSLO-LPEHRKFASA-N 1 3 227.308 -0.782 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)CCOC1CNC1 ZINC000662604119 412235859 /nfs/dbraw/zinc/23/58/59/412235859.db2.gz BMTMIIOZDSBKDY-UHFFFAOYSA-N 1 3 229.324 -0.439 20 0 BBADHO COCCNCC(=O)N(C)CC(C)(C)[NH3+] ZINC000662605893 409781484 /nfs/dbraw/zinc/78/14/84/409781484.db2.gz TWEAHRBXNNEWFM-UHFFFAOYSA-N 1 3 217.313 -0.582 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1CNCCO1 ZINC000662605983 412237788 /nfs/dbraw/zinc/23/77/88/412237788.db2.gz WGPGHESWZFXYBW-SECBINFHSA-N 1 3 229.324 -0.439 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)C[C@H]1CNCCO1 ZINC000662605984 412237391 /nfs/dbraw/zinc/23/73/91/412237391.db2.gz WGPGHESWZFXYBW-VIFPVBQESA-N 1 3 229.324 -0.439 20 0 BBADHO CC(C(=O)N(C)CC(C)(C)[NH3+])S(C)(=O)=O ZINC000662608996 409783514 /nfs/dbraw/zinc/78/35/14/409783514.db2.gz RZWRAWMKOATYKJ-SSDOTTSWSA-N 1 3 236.337 -0.385 20 0 BBADHO CC(C(=O)N(C)CC(C)(C)[NH3+])S(C)(=O)=O ZINC000662608997 409783619 /nfs/dbraw/zinc/78/36/19/409783619.db2.gz RZWRAWMKOATYKJ-ZETCQYMHSA-N 1 3 236.337 -0.385 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)CNC[C@@H]1CCCO1 ZINC000662612272 487672284 /nfs/dbraw/zinc/67/22/84/487672284.db2.gz NQVNQQJZYDYVFD-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)CNC[C@H]1CCCO1 ZINC000662612273 487672144 /nfs/dbraw/zinc/67/21/44/487672144.db2.gz NQVNQQJZYDYVFD-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO CC(C)(C)N1CC[C@H](NC(=O)COCC[NH3+])C1 ZINC000662623684 412245933 /nfs/dbraw/zinc/24/59/33/412245933.db2.gz ZWOQLDATVAYQHB-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO CC(C)(C)N1CC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000662623686 412246462 /nfs/dbraw/zinc/24/64/62/412246462.db2.gz ZWOQLDATVAYQHB-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)N ZINC000662630884 412249752 /nfs/dbraw/zinc/24/97/52/412249752.db2.gz IJDRLETVXAITRM-UHFFFAOYSA-N 1 3 244.383 -0.277 20 0 BBADHO CC[C@H](N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632258 412250248 /nfs/dbraw/zinc/25/02/48/412250248.db2.gz OPEYCWWLDGPHEQ-NSHDSACASA-N 1 3 244.383 -0.277 20 0 BBADHO CNCC(=O)NCCN(C)CCC[NH+](C)C ZINC000662632338 409803863 /nfs/dbraw/zinc/80/38/63/409803863.db2.gz CESVSFODLPZEOK-UHFFFAOYSA-N 1 3 230.356 -0.795 20 0 BBADHO COCCNCC(=O)NCC[C@H](C)[NH+](C)C ZINC000662633523 412250994 /nfs/dbraw/zinc/25/09/94/412250994.db2.gz MCEAZPJQSRTJRK-JTQLQIEISA-N 1 3 231.340 -0.321 20 0 BBADHO COCCNCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633524 412251000 /nfs/dbraw/zinc/25/10/00/412251000.db2.gz MCEAZPJQSRTJRK-SNVBAGLBSA-N 1 3 231.340 -0.321 20 0 BBADHO C[C@H](N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662633633 412251296 /nfs/dbraw/zinc/25/12/96/412251296.db2.gz MYJAGXMSPDFZNJ-JTQLQIEISA-N 1 3 230.356 -0.667 20 0 BBADHO C[C@@H](N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662633634 412251819 /nfs/dbraw/zinc/25/18/19/412251819.db2.gz MYJAGXMSPDFZNJ-SNVBAGLBSA-N 1 3 230.356 -0.667 20 0 BBADHO CC[C@@H](N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662633725 412248543 /nfs/dbraw/zinc/24/85/43/412248543.db2.gz OPEYCWWLDGPHEQ-LLVKDONJSA-N 1 3 244.383 -0.277 20 0 BBADHO C[C@H](CCNC(=O)C[C@@H]1CNCCO1)[NH+](C)C ZINC000662633726 409806613 /nfs/dbraw/zinc/80/66/13/409806613.db2.gz ORKWBIXVWHWXMV-GHMZBOCLSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CCNC(=O)C[C@H]1CNCCO1)[NH+](C)C ZINC000662633727 409807750 /nfs/dbraw/zinc/80/77/50/409807750.db2.gz ORKWBIXVWHWXMV-MNOVXSKESA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](CCNC(=O)C[C@H]1CNCCO1)[NH+](C)C ZINC000662633728 409807015 /nfs/dbraw/zinc/80/70/15/409807015.db2.gz ORKWBIXVWHWXMV-QWRGUYRKSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](CCNC(=O)C[C@@H]1CNCCO1)[NH+](C)C ZINC000662633729 409806303 /nfs/dbraw/zinc/80/63/03/409806303.db2.gz ORKWBIXVWHWXMV-WDEREUQCSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](CCNC(=O)CCOC1CNC1)[NH+](C)C ZINC000662634533 409806020 /nfs/dbraw/zinc/80/60/20/409806020.db2.gz SGTYERUITFWMNS-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CCNC(=O)CCOC1CNC1)[NH+](C)C ZINC000662634538 409807783 /nfs/dbraw/zinc/80/77/83/409807783.db2.gz SGTYERUITFWMNS-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO COCCNCC(=O)NCC1([NH3+])CCCC1 ZINC000662649148 412256339 /nfs/dbraw/zinc/25/63/39/412256339.db2.gz MFTXEJVRCFEYAA-UHFFFAOYSA-N 1 3 229.324 -0.390 20 0 BBADHO [NH3+]C1(CNC(=O)C[C@H]2CNCCO2)CCCC1 ZINC000662650260 409814348 /nfs/dbraw/zinc/81/43/48/409814348.db2.gz XYJSYPSYIBKJBU-JTQLQIEISA-N 1 3 241.335 -0.247 20 0 BBADHO [NH3+]C1(CNC(=O)C[C@@H]2CNCCO2)CCCC1 ZINC000662650261 409813782 /nfs/dbraw/zinc/81/37/82/409813782.db2.gz XYJSYPSYIBKJBU-SNVBAGLBSA-N 1 3 241.335 -0.247 20 0 BBADHO [NH3+]C1(CNC(=O)CCOC2CNC2)CCCC1 ZINC000662650314 412257261 /nfs/dbraw/zinc/25/72/61/412257261.db2.gz ZRELVRHEWCGRJI-UHFFFAOYSA-N 1 3 241.335 -0.247 20 0 BBADHO CC(C(=O)NCC1([NH3+])CCCC1)S(C)(=O)=O ZINC000662652273 409814484 /nfs/dbraw/zinc/81/44/84/409814484.db2.gz LVTSKHWPDNQLTK-MRVPVSSYSA-N 1 3 248.348 -0.193 20 0 BBADHO CC(C(=O)NCC1([NH3+])CCCC1)S(C)(=O)=O ZINC000662652282 409815511 /nfs/dbraw/zinc/81/55/11/409815511.db2.gz LVTSKHWPDNQLTK-QMMMGPOBSA-N 1 3 248.348 -0.193 20 0 BBADHO CN1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662662304 412261913 /nfs/dbraw/zinc/26/19/13/412261913.db2.gz PPHHRFZBQWDXDC-KYZUINATSA-N 1 3 211.309 -0.066 20 0 BBADHO [NH3+][C@H]1C[C@H](C(=O)NCCN2CCCC2)C1 ZINC000662668523 412266120 /nfs/dbraw/zinc/26/61/20/412266120.db2.gz NYKCTUJPWRCWIS-MGCOHNPYSA-N 1 3 211.309 -0.064 20 0 BBADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCN1CCCC1 ZINC000662668723 412266463 /nfs/dbraw/zinc/26/64/63/412266463.db2.gz QCZAVBNFRZTOKO-GHMZBOCLSA-N 1 3 241.335 -0.438 20 0 BBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCN1CCCC1 ZINC000662668724 412266410 /nfs/dbraw/zinc/26/64/10/412266410.db2.gz QCZAVBNFRZTOKO-MNOVXSKESA-N 1 3 241.335 -0.438 20 0 BBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000662668725 412265932 /nfs/dbraw/zinc/26/59/32/412265932.db2.gz QCZAVBNFRZTOKO-QWRGUYRKSA-N 1 3 241.335 -0.438 20 0 BBADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000662668726 412266158 /nfs/dbraw/zinc/26/61/58/412266158.db2.gz QCZAVBNFRZTOKO-WDEREUQCSA-N 1 3 241.335 -0.438 20 0 BBADHO [NH3+]CC12CC(C1)CN2C(=O)CNC1CC1 ZINC000662674937 412267404 /nfs/dbraw/zinc/26/74/04/412267404.db2.gz HIAZJWUHLQSDRR-UHFFFAOYSA-N 1 3 209.293 -0.312 20 0 BBADHO CC(C)[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662675988 412267492 /nfs/dbraw/zinc/26/74/92/412267492.db2.gz SGEIGWKUTDGHIU-YUCVTWSNSA-N 1 3 211.309 -0.081 20 0 BBADHO [NH3+]CC12CC(C1)CN2C(=O)C[C@@H]1CNCCO1 ZINC000662680526 412268599 /nfs/dbraw/zinc/26/85/99/412268599.db2.gz IPRVFGYVSCFJFS-SQLBVSGCSA-N 1 3 239.319 -0.685 20 0 BBADHO [NH3+]CC12CC(C1)CN2C(=O)C[C@H]1CNCCO1 ZINC000662680527 412268018 /nfs/dbraw/zinc/26/80/18/412268018.db2.gz IPRVFGYVSCFJFS-YZRBJQDESA-N 1 3 239.319 -0.685 20 0 BBADHO CC(C)[C@@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681041 409830589 /nfs/dbraw/zinc/83/05/89/409830589.db2.gz SGEIGWKUTDGHIU-INWMGODYSA-N 1 3 211.309 -0.081 20 0 BBADHO COCCNCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681106 412269644 /nfs/dbraw/zinc/26/96/44/412269644.db2.gz UIAYIBMLPOGKJE-UHFFFAOYSA-N 1 3 227.308 -0.828 20 0 BBADHO NC(C(=O)N1CC2CC1(C[NH3+])C2)C(F)(F)F ZINC000662681937 412269303 /nfs/dbraw/zinc/26/93/03/412269303.db2.gz IAQHTUXIJGCVGZ-NAJVVJGSSA-N 1 3 237.225 -0.174 20 0 BBADHO NC(C(=O)N1CC2CC1(C[NH3+])C2)C(F)(F)F ZINC000662681939 412269661 /nfs/dbraw/zinc/26/96/61/412269661.db2.gz IAQHTUXIJGCVGZ-PIJYJLRNSA-N 1 3 237.225 -0.174 20 0 BBADHO NC1(C(=O)N2CC3CC2(C[NH3+])C3)CCC1 ZINC000662681981 412269956 /nfs/dbraw/zinc/26/99/56/412269956.db2.gz IRNGEMCTOZKPED-UHFFFAOYSA-N 1 3 209.293 -0.183 20 0 BBADHO [NH3+]CC12CC(C1)CN2C(=O)CCOC1CNC1 ZINC000662684302 412270912 /nfs/dbraw/zinc/27/09/12/412270912.db2.gz ZRNZRSSZDFIJCP-UHFFFAOYSA-N 1 3 239.319 -0.685 20 0 BBADHO COCCN(C)CCCNC(=O)CC1([NH3+])CC1 ZINC000662684869 412270612 /nfs/dbraw/zinc/27/06/12/412270612.db2.gz KRHOYJTYIOZTCE-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO COCCN(C)CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662684984 412270724 /nfs/dbraw/zinc/27/07/24/412270724.db2.gz MSVCGLSUHIALJP-XYPYZODXSA-N 1 3 243.351 -0.192 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662692056 412273504 /nfs/dbraw/zinc/27/35/04/412273504.db2.gz MSJXFXALNULBPB-AXFHLTTASA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662692058 412273395 /nfs/dbraw/zinc/27/33/95/412273395.db2.gz MSJXFXALNULBPB-DCAQKATOSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662692059 412273746 /nfs/dbraw/zinc/27/37/46/412273746.db2.gz MSJXFXALNULBPB-GARJFASQSA-N 1 3 241.335 -0.439 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662692061 412273407 /nfs/dbraw/zinc/27/34/07/412273407.db2.gz MSJXFXALNULBPB-HBNTYKKESA-N 1 3 241.335 -0.439 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])N(C)C ZINC000662693891 412273330 /nfs/dbraw/zinc/27/33/30/412273330.db2.gz MRPHGFQKAKIBSY-BBBLOLIVSA-N 1 3 229.324 -0.584 20 0 BBADHO C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])N(C)C ZINC000662693893 412273314 /nfs/dbraw/zinc/27/33/14/412273314.db2.gz MRPHGFQKAKIBSY-KXUCPTDWSA-N 1 3 229.324 -0.584 20 0 BBADHO C[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])N(C)C ZINC000662693894 412273514 /nfs/dbraw/zinc/27/35/14/412273514.db2.gz MRPHGFQKAKIBSY-OPRDCNLKSA-N 1 3 229.324 -0.584 20 0 BBADHO C[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])N(C)C ZINC000662693895 412273455 /nfs/dbraw/zinc/27/34/55/412273455.db2.gz MRPHGFQKAKIBSY-UTLUCORTSA-N 1 3 229.324 -0.584 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662694397 412274209 /nfs/dbraw/zinc/27/42/09/412274209.db2.gz VEVWYZKGBXIMDH-GUBZILKMSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1CCC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662694398 412274547 /nfs/dbraw/zinc/27/45/47/412274547.db2.gz VEVWYZKGBXIMDH-OPRDCNLKSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000662696034 412274875 /nfs/dbraw/zinc/27/48/75/412274875.db2.gz GLFSOPYYRBJRKV-KYZUINATSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662696519 412274303 /nfs/dbraw/zinc/27/43/03/412274303.db2.gz MQYVFYFAMZXVFR-GHMZBOCLSA-N 1 3 241.335 -0.439 20 0 BBADHO CN(CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662696520 412274438 /nfs/dbraw/zinc/27/44/38/412274438.db2.gz MQYVFYFAMZXVFR-MNOVXSKESA-N 1 3 241.335 -0.439 20 0 BBADHO CN(CCNC(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662696521 412274583 /nfs/dbraw/zinc/27/45/83/412274583.db2.gz MQYVFYFAMZXVFR-QWRGUYRKSA-N 1 3 241.335 -0.439 20 0 BBADHO CN(CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662696522 412274510 /nfs/dbraw/zinc/27/45/10/412274510.db2.gz MQYVFYFAMZXVFR-WDEREUQCSA-N 1 3 241.335 -0.439 20 0 BBADHO COCCN(C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662704371 412276375 /nfs/dbraw/zinc/27/63/75/412276375.db2.gz ZYKIOHOAFLXLFL-MGCOHNPYSA-N 1 3 229.324 -0.582 20 0 BBADHO CC(C)NCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662716725 409870343 /nfs/dbraw/zinc/87/03/43/409870343.db2.gz WBOPPAXFQFTJDH-UHFFFAOYSA-N 1 3 211.309 -0.147 20 0 BBADHO COCCNCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717907 412282237 /nfs/dbraw/zinc/28/22/37/412282237.db2.gz DOQHUZALYYVIBD-UHFFFAOYSA-N 1 3 227.308 -0.909 20 0 BBADHO NC(C(=O)NCC12CC(C1)C[NH2+]2)C(F)(F)F ZINC000662718255 412282371 /nfs/dbraw/zinc/28/23/71/412282371.db2.gz ILOJBWGEDHGMNI-NAJVVJGSSA-N 1 3 237.225 -0.256 20 0 BBADHO NC(C(=O)NCC12CC(C1)C[NH2+]2)C(F)(F)F ZINC000662718256 412282563 /nfs/dbraw/zinc/28/25/63/412282563.db2.gz ILOJBWGEDHGMNI-PIJYJLRNSA-N 1 3 237.225 -0.256 20 0 BBADHO NC1(C(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000662718265 412282195 /nfs/dbraw/zinc/28/21/95/412282195.db2.gz IYNYBMZRLPNYMY-UHFFFAOYSA-N 1 3 209.293 -0.264 20 0 BBADHO O=C(CCOC1CNC1)NCC12CC(C1)C[NH2+]2 ZINC000662718468 412281969 /nfs/dbraw/zinc/28/19/69/412281969.db2.gz JQSSCLGNOCGRFD-UHFFFAOYSA-N 1 3 239.319 -0.767 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718551 409869797 /nfs/dbraw/zinc/86/97/97/409869797.db2.gz MKDXKIXKMIZJPC-NBBOBHDQSA-N 1 3 223.320 -0.147 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718552 409868791 /nfs/dbraw/zinc/86/87/91/409868791.db2.gz MKDXKIXKMIZJPC-XEVUQIKYSA-N 1 3 223.320 -0.147 20 0 BBADHO CC(C)[C@@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718809 412282069 /nfs/dbraw/zinc/28/20/69/412282069.db2.gz QHGTTYKQCOTVIU-INWMGODYSA-N 1 3 211.309 -0.162 20 0 BBADHO CC(C)[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718810 412282248 /nfs/dbraw/zinc/28/22/48/412282248.db2.gz QHGTTYKQCOTVIU-YUCVTWSNSA-N 1 3 211.309 -0.162 20 0 BBADHO O=C(C[C@@H]1CNCCO1)NCC12CC(C1)C[NH2+]2 ZINC000662718856 412282183 /nfs/dbraw/zinc/28/21/83/412282183.db2.gz RLENHOGJAFBKBL-SQLBVSGCSA-N 1 3 239.319 -0.767 20 0 BBADHO O=C(C[C@H]1CNCCO1)NCC12CC(C1)C[NH2+]2 ZINC000662718857 412282440 /nfs/dbraw/zinc/28/24/40/412282440.db2.gz RLENHOGJAFBKBL-YZRBJQDESA-N 1 3 239.319 -0.767 20 0 BBADHO N[C@H](C(=O)NCC12CC(C1)C[NH2+]2)C1CCC1 ZINC000662719308 412282534 /nfs/dbraw/zinc/28/25/34/412282534.db2.gz YSUYTKSXBMCBDD-BSTRBVHOSA-N 1 3 223.320 -0.018 20 0 BBADHO N[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)C1CCC1 ZINC000662719309 409868657 /nfs/dbraw/zinc/86/86/57/409868657.db2.gz YSUYTKSXBMCBDD-KRBLXSNTSA-N 1 3 223.320 -0.018 20 0 BBADHO COCCN1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662721382 412283551 /nfs/dbraw/zinc/28/35/51/412283551.db2.gz OOYCQQSLVFKDCK-JTQLQIEISA-N 1 3 241.335 -0.295 20 0 BBADHO COCCN1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662721384 412283013 /nfs/dbraw/zinc/28/30/13/412283013.db2.gz OOYCQQSLVFKDCK-SNVBAGLBSA-N 1 3 241.335 -0.295 20 0 BBADHO COCCN1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662721693 412283532 /nfs/dbraw/zinc/28/35/32/412283532.db2.gz VIZZBQLTXDVSTM-DCAQKATOSA-N 1 3 241.335 -0.439 20 0 BBADHO COCCN1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662721794 412283762 /nfs/dbraw/zinc/28/37/62/412283762.db2.gz VIZZBQLTXDVSTM-GMTAPVOTSA-N 1 3 241.335 -0.439 20 0 BBADHO O=C(CNC1CC1)NCC12CC(C1)C[NH2+]2 ZINC000662723581 412284798 /nfs/dbraw/zinc/28/47/98/412284798.db2.gz HJMQBRRRXBGGHX-UHFFFAOYSA-N 1 3 209.293 -0.393 20 0 BBADHO COCCNCC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730461 412287022 /nfs/dbraw/zinc/28/70/22/412287022.db2.gz GAEFWQMPCSMDTJ-SNVBAGLBSA-N 1 3 231.340 -0.288 20 0 BBADHO CC(C)[C@H]([NH3+])CCNC(=O)CCOC1CNC1 ZINC000662730588 412287060 /nfs/dbraw/zinc/28/70/60/412287060.db2.gz KJSFGATZWHBJOM-LLVKDONJSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]1CNCCO1 ZINC000662730839 412286752 /nfs/dbraw/zinc/28/67/52/412286752.db2.gz RATYQRDMCRXYPP-GHMZBOCLSA-N 1 3 243.351 -0.146 20 0 BBADHO CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1CNCCO1 ZINC000662730840 412287009 /nfs/dbraw/zinc/28/70/09/412287009.db2.gz RATYQRDMCRXYPP-WDEREUQCSA-N 1 3 243.351 -0.146 20 0 BBADHO COCCCN(C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662743231 412289594 /nfs/dbraw/zinc/28/95/94/412289594.db2.gz LTPGZTLOXSNPDT-XYPYZODXSA-N 1 3 243.351 -0.192 20 0 BBADHO COCCCN(C)CCNC(=O)CC1([NH3+])CC1 ZINC000662744202 412289983 /nfs/dbraw/zinc/28/99/83/412289983.db2.gz XUQXUYSBNZIWOD-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662746731 412290069 /nfs/dbraw/zinc/29/00/69/412290069.db2.gz NRQKXXVAPOVMEI-IWSPIJDZSA-N 1 3 215.272 -0.364 20 0 BBADHO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662746886 412290163 /nfs/dbraw/zinc/29/01/63/412290163.db2.gz ORCTULWPNQHSPR-HLTSFMKQSA-N 1 3 217.288 -0.133 20 0 BBADHO N[C@@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@H]1F ZINC000662747754 412290096 /nfs/dbraw/zinc/29/00/96/412290096.db2.gz AKJHGRDVNHBRRQ-HTQZYQBOSA-N 1 3 215.272 -0.235 20 0 BBADHO N[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000662747813 412290001 /nfs/dbraw/zinc/29/00/01/412290001.db2.gz DKRSWVGHNZMNFE-IVZWLZJFSA-N 1 3 245.298 -0.737 20 0 BBADHO N[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000662747814 412290175 /nfs/dbraw/zinc/29/01/75/412290175.db2.gz DKRSWVGHNZMNFE-OPRDCNLKSA-N 1 3 245.298 -0.737 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC[C@H]1F ZINC000662747828 412289708 /nfs/dbraw/zinc/28/97/08/412289708.db2.gz BVUYTFXDRBWVIG-BFLSOPEQSA-N 1 3 241.310 -0.116 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[C@H]1F ZINC000662747830 412290209 /nfs/dbraw/zinc/29/02/09/412290209.db2.gz BVUYTFXDRBWVIG-BTQIBKBOSA-N 1 3 241.310 -0.116 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[C@H]1F ZINC000662747832 412289917 /nfs/dbraw/zinc/28/99/17/412289917.db2.gz BVUYTFXDRBWVIG-DNRKLUKYSA-N 1 3 241.310 -0.116 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC[C@H]1F ZINC000662747833 412290046 /nfs/dbraw/zinc/29/00/46/412290046.db2.gz BVUYTFXDRBWVIG-XNDJQWLSSA-N 1 3 241.310 -0.116 20 0 BBADHO CC[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662747973 412289677 /nfs/dbraw/zinc/28/96/77/412289677.db2.gz HRXQGXCEKSGXSL-BWZBUEFSSA-N 1 3 203.261 -0.379 20 0 BBADHO CC[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662747974 412289872 /nfs/dbraw/zinc/28/98/72/412289872.db2.gz HRXQGXCEKSGXSL-GJMOJQLCSA-N 1 3 203.261 -0.379 20 0 BBADHO N[C@@H]1CN(C(=O)CCC[NH3+])CC[C@H]1F ZINC000662747980 412290060 /nfs/dbraw/zinc/29/00/60/412290060.db2.gz ICGGLUBSBKGZOV-HTQZYQBOSA-N 1 3 203.261 -0.377 20 0 BBADHO C[C@@H]([NH3+])CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748090 412290386 /nfs/dbraw/zinc/29/03/86/412290386.db2.gz LIFXCUDWRKVXHD-BWZBUEFSSA-N 1 3 203.261 -0.379 20 0 BBADHO N[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@H]1F ZINC000662748236 412290384 /nfs/dbraw/zinc/29/03/84/412290384.db2.gz NEPHYLSXFCCQLC-NXEZZACHSA-N 1 3 229.299 -0.116 20 0 BBADHO C[NH2+]CCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748249 412292015 /nfs/dbraw/zinc/29/20/15/412292015.db2.gz NNLWOQMEMLRPFA-HTQZYQBOSA-N 1 3 203.261 -0.506 20 0 BBADHO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748288 412283146 /nfs/dbraw/zinc/28/31/46/412283146.db2.gz ORCTULWPNQHSPR-IWSPIJDZSA-N 1 3 217.288 -0.133 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748347 412292047 /nfs/dbraw/zinc/29/20/47/412292047.db2.gz QNUAYXGENGMHPY-DJLDLDEBSA-N 1 3 233.287 -0.752 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748348 412291218 /nfs/dbraw/zinc/29/12/18/412291218.db2.gz QNUAYXGENGMHPY-IWSPIJDZSA-N 1 3 233.287 -0.752 20 0 BBADHO C[NH2+]CCCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748444 412291296 /nfs/dbraw/zinc/29/12/96/412291296.db2.gz UPRGDKUMBJIMPG-RKDXNWHRSA-N 1 3 217.288 -0.116 20 0 BBADHO CC(C)([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748496 412291036 /nfs/dbraw/zinc/29/10/36/412291036.db2.gz WNLOXZXDWCKZKJ-RNFRBKRXSA-N 1 3 203.261 -0.379 20 0 BBADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662749439 412291348 /nfs/dbraw/zinc/29/13/48/412291348.db2.gz MHADBNACVYVOLJ-HLTSFMKQSA-N 1 3 217.288 -0.118 20 0 BBADHO CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662749440 412291980 /nfs/dbraw/zinc/29/19/80/412291980.db2.gz MHADBNACVYVOLJ-IWSPIJDZSA-N 1 3 217.288 -0.118 20 0 BBADHO O=C(NCC1C[NH2+]C1)C1(NC2CC2)CCC1 ZINC000662763289 412294151 /nfs/dbraw/zinc/29/41/51/412294151.db2.gz VAZJKUGDTKNLES-UHFFFAOYSA-N 1 3 223.320 -0.003 20 0 BBADHO COCCNCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662763920 412294746 /nfs/dbraw/zinc/29/47/46/412294746.db2.gz KHJSYFLLKXSQCN-KYZUINATSA-N 1 3 215.297 -0.924 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662763966 412285651 /nfs/dbraw/zinc/28/56/51/412285651.db2.gz GKFVVKIFSNREKG-JXUBOQSCSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000662763967 412285614 /nfs/dbraw/zinc/28/56/14/412285614.db2.gz GKFVVKIFSNREKG-UTINFBMNSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000662763968 412285395 /nfs/dbraw/zinc/28/53/95/412285395.db2.gz GKFVVKIFSNREKG-XKNYDFJKSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C)CN1 ZINC000662763969 412285707 /nfs/dbraw/zinc/28/57/07/412285707.db2.gz GKFVVKIFSNREKG-ZYUZMQFOSA-N 1 3 211.309 -0.068 20 0 BBADHO COCCNCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662764537 412285780 /nfs/dbraw/zinc/28/57/80/412285780.db2.gz QRUQQQAZCOHLDT-JTQLQIEISA-N 1 3 243.351 -0.273 20 0 BBADHO COCCNCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662764538 412285633 /nfs/dbraw/zinc/28/56/33/412285633.db2.gz QRUQQQAZCOHLDT-SNVBAGLBSA-N 1 3 243.351 -0.273 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662776274 412299099 /nfs/dbraw/zinc/29/90/99/412299099.db2.gz WATDQRMLYGJREX-JXUBOQSCSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC000662776275 412298997 /nfs/dbraw/zinc/29/89/97/412298997.db2.gz WATDQRMLYGJREX-UTINFBMNSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC000662776276 412299188 /nfs/dbraw/zinc/29/91/88/412299188.db2.gz WATDQRMLYGJREX-XKNYDFJKSA-N 1 3 211.309 -0.068 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1C ZINC000662776277 412298791 /nfs/dbraw/zinc/29/87/91/412298791.db2.gz WATDQRMLYGJREX-ZYUZMQFOSA-N 1 3 211.309 -0.068 20 0 BBADHO CN(C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662777462 412299029 /nfs/dbraw/zinc/29/90/29/412299029.db2.gz BWFVMQIRGGMAFB-BDAKNGLRSA-N 1 3 215.297 -0.972 20 0 BBADHO CN(C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662777463 412299079 /nfs/dbraw/zinc/29/90/79/412299079.db2.gz BWFVMQIRGGMAFB-DTWKUNHWSA-N 1 3 215.297 -0.972 20 0 BBADHO CN(C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662777464 412299287 /nfs/dbraw/zinc/29/92/87/412299287.db2.gz BWFVMQIRGGMAFB-IUCAKERBSA-N 1 3 215.297 -0.972 20 0 BBADHO CN(C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662777465 412299157 /nfs/dbraw/zinc/29/91/57/412299157.db2.gz BWFVMQIRGGMAFB-RKDXNWHRSA-N 1 3 215.297 -0.972 20 0 BBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1(NC2CC2)CCC1 ZINC000662777943 412300126 /nfs/dbraw/zinc/30/01/26/412300126.db2.gz ADCIFUIWHZLOOZ-URLYPYJESA-N 1 3 235.331 -0.005 20 0 BBADHO [NH3+]C1(CC(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000662779104 412300139 /nfs/dbraw/zinc/30/01/39/412300139.db2.gz LKQKIWRKOVYGFG-YUMQZZPRSA-N 1 3 215.272 -0.316 20 0 BBADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000662780816 409905281 /nfs/dbraw/zinc/90/52/81/409905281.db2.gz UIHROTVWPQOPOA-AATLWQCWSA-N 1 3 245.298 -0.834 20 0 BBADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000662780817 409905077 /nfs/dbraw/zinc/90/50/77/409905077.db2.gz UIHROTVWPQOPOA-AXTSPUMRSA-N 1 3 245.298 -0.834 20 0 BBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000662780818 409906130 /nfs/dbraw/zinc/90/61/30/409906130.db2.gz UIHROTVWPQOPOA-QEYWKRMJSA-N 1 3 245.298 -0.834 20 0 BBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000662780846 409905143 /nfs/dbraw/zinc/90/51/43/409905143.db2.gz UIHROTVWPQOPOA-XKNYDFJKSA-N 1 3 245.298 -0.834 20 0 BBADHO NC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC2(CCC2)C1 ZINC000662781251 409907913 /nfs/dbraw/zinc/90/79/13/409907913.db2.gz WLYUBHVMMXNAEM-MYJAWHEDSA-N 1 3 235.331 -0.018 20 0 BBADHO [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000662781306 412301019 /nfs/dbraw/zinc/30/10/19/412301019.db2.gz XGCXUBDPYXPVLY-JBDRJPRFSA-N 1 3 215.272 -0.460 20 0 BBADHO CC1(C)CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1 ZINC000662782558 409912235 /nfs/dbraw/zinc/91/22/35/409912235.db2.gz FRPXQPUEKBZENV-KYZUINATSA-N 1 3 211.309 -0.066 20 0 BBADHO CC1(C)CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCN1 ZINC000662783182 412300935 /nfs/dbraw/zinc/30/09/35/412300935.db2.gz JSLWZOMCITZRPW-NXEZZACHSA-N 1 3 241.335 -0.439 20 0 BBADHO CC1(C)CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CCN1 ZINC000662783183 409913327 /nfs/dbraw/zinc/91/33/27/409913327.db2.gz JSLWZOMCITZRPW-UWVGGRQHSA-N 1 3 241.335 -0.439 20 0 BBADHO CC1(C)CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CCN1 ZINC000662783184 409913744 /nfs/dbraw/zinc/91/37/44/409913744.db2.gz JSLWZOMCITZRPW-VHSXEESVSA-N 1 3 241.335 -0.439 20 0 BBADHO CC1(C)CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CCN1 ZINC000662783185 409912290 /nfs/dbraw/zinc/91/22/90/409912290.db2.gz JSLWZOMCITZRPW-ZJUUUORDSA-N 1 3 241.335 -0.439 20 0 BBADHO COCCN(CCN(C)C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662791734 412303928 /nfs/dbraw/zinc/30/39/28/412303928.db2.gz RMZJTMHJFKNAPL-XYPYZODXSA-N 1 3 243.351 -0.240 20 0 BBADHO COCCN(CCN(C)C)C(=O)CC1([NH3+])CC1 ZINC000662792057 412303690 /nfs/dbraw/zinc/30/36/90/412303690.db2.gz USKJLRSAEFFWJB-UHFFFAOYSA-N 1 3 243.351 -0.096 20 0 BBADHO CN(C)CCOCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662797051 412305005 /nfs/dbraw/zinc/30/50/05/412305005.db2.gz UYBSKXIHVBTQFH-MGCOHNPYSA-N 1 3 229.324 -0.582 20 0 BBADHO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000662817061 412310001 /nfs/dbraw/zinc/31/00/01/412310001.db2.gz ZSCHTSQYJKJBQE-NXEZZACHSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000662817063 412309985 /nfs/dbraw/zinc/30/99/85/412309985.db2.gz ZSCHTSQYJKJBQE-UWVGGRQHSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000662817065 412309428 /nfs/dbraw/zinc/30/94/28/412309428.db2.gz ZSCHTSQYJKJBQE-VHSXEESVSA-N 1 3 241.335 -0.521 20 0 BBADHO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000662817067 412309817 /nfs/dbraw/zinc/30/98/17/412309817.db2.gz ZSCHTSQYJKJBQE-ZJUUUORDSA-N 1 3 241.335 -0.521 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)COC1(C)CNC1 ZINC000662845367 409951108 /nfs/dbraw/zinc/95/11/08/409951108.db2.gz OZRIIIMTIJWMOW-UHFFFAOYSA-N 1 3 229.324 -0.439 20 0 BBADHO CN(CCC[NH+](C)C)CCNC(=O)C1(N)CC1 ZINC000662857225 412327344 /nfs/dbraw/zinc/32/73/44/412327344.db2.gz IMBNLIVHUAHOBB-UHFFFAOYSA-N 1 3 242.367 -0.523 20 0 BBADHO C[C@H]1CCN[C@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000662859419 412327903 /nfs/dbraw/zinc/32/79/03/412327903.db2.gz PDPXVFHEIBODCT-GUBZILKMSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@@H]1CCN[C@@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000662859620 412328119 /nfs/dbraw/zinc/32/81/19/412328119.db2.gz PDPXVFHEIBODCT-KXUCPTDWSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@H]1CCN[C@@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000662859621 412328575 /nfs/dbraw/zinc/32/85/75/412328575.db2.gz PDPXVFHEIBODCT-LPEHRKFASA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000662859622 412328398 /nfs/dbraw/zinc/32/83/98/412328398.db2.gz PDPXVFHEIBODCT-UTLUCORTSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@@H](CCNC(=O)COC1(C)CNC1)[NH+](C)C ZINC000662861241 412328701 /nfs/dbraw/zinc/32/87/01/412328701.db2.gz YQBPHBILJXTJKN-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CCNC(=O)COC1(C)CNC1)[NH+](C)C ZINC000662861242 412328433 /nfs/dbraw/zinc/32/84/33/412328433.db2.gz YQBPHBILJXTJKN-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO CC1(OCC(=O)NCC2([NH3+])CCCC2)CNC1 ZINC000662863601 412329873 /nfs/dbraw/zinc/32/98/73/412329873.db2.gz UZDRKPATFYPYNB-UHFFFAOYSA-N 1 3 241.335 -0.247 20 0 BBADHO CC1(OCC(=O)N2CC3CC2(C[NH3+])C3)CNC1 ZINC000662875634 412329942 /nfs/dbraw/zinc/32/99/42/412329942.db2.gz LGQLKIGVEBCAJS-UHFFFAOYSA-N 1 3 239.319 -0.685 20 0 BBADHO CC1(OCC(=O)NCC23CC(C2)C[NH2+]3)CNC1 ZINC000662922876 490208763 /nfs/dbraw/zinc/20/87/63/490208763.db2.gz NASSBZSXIQSZJG-UHFFFAOYSA-N 1 3 239.319 -0.767 20 0 BBADHO O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCCCN1 ZINC000662925441 412347313 /nfs/dbraw/zinc/34/73/13/412347313.db2.gz QHSPZPDHFYYBFE-SQLBVSGCSA-N 1 3 223.320 -0.003 20 0 BBADHO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCCCN1 ZINC000662925442 412347176 /nfs/dbraw/zinc/34/71/76/412347176.db2.gz QHSPZPDHFYYBFE-YZRBJQDESA-N 1 3 223.320 -0.003 20 0 BBADHO CC(C)[C@H]([NH3+])CCNC(=O)COC1(C)CNC1 ZINC000662926507 412347256 /nfs/dbraw/zinc/34/72/56/412347256.db2.gz LYRVMRPOAKNZSW-SNVBAGLBSA-N 1 3 243.351 -0.146 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@H]1F ZINC000662944967 412351408 /nfs/dbraw/zinc/35/14/08/412351408.db2.gz DKRVVGJUAPOFGT-IGORNWKESA-N 1 3 227.283 -0.366 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1F ZINC000662944973 412350696 /nfs/dbraw/zinc/35/06/96/412350696.db2.gz DPUAJMUKBVIUCU-BZNPZCIMSA-N 1 3 215.272 -0.379 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[C@H]1F ZINC000662944974 412350915 /nfs/dbraw/zinc/35/09/15/412350915.db2.gz DPUAJMUKBVIUCU-FNCVBFRFSA-N 1 3 215.272 -0.379 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[C@H]1F ZINC000662945108 412351726 /nfs/dbraw/zinc/35/17/26/412351726.db2.gz FJNOKNOCDDZNCI-JLIMGVALSA-N 1 3 245.298 -0.752 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[C@H]1F ZINC000662945109 412351493 /nfs/dbraw/zinc/35/14/93/412351493.db2.gz FJNOKNOCDDZNCI-KYXWUPHJSA-N 1 3 245.298 -0.752 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[C@H]1F ZINC000662945110 409983713 /nfs/dbraw/zinc/98/37/13/409983713.db2.gz FJNOKNOCDDZNCI-SGIHWFKDSA-N 1 3 245.298 -0.752 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[C@H]1F ZINC000662945111 409983608 /nfs/dbraw/zinc/98/36/08/409983608.db2.gz FJNOKNOCDDZNCI-ZYUZMQFOSA-N 1 3 245.298 -0.752 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[C@H]1F ZINC000662945206 412351031 /nfs/dbraw/zinc/35/10/31/412351031.db2.gz JCKMWUQLZOHTMR-ZOZBQHSOSA-N 1 3 227.283 -0.651 20 0 BBADHO N[C@@H]1CN(C(=O)CC2([NH3+])CC2)CC[C@H]1F ZINC000662945656 412351528 /nfs/dbraw/zinc/35/15/28/412351528.db2.gz UHBBYCBWNDRLKV-HTQZYQBOSA-N 1 3 215.272 -0.235 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000662953084 412352706 /nfs/dbraw/zinc/35/27/06/412352706.db2.gz JEXCUPVDXOIAAK-BDAKNGLRSA-N 1 3 215.297 -0.911 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000662953085 412352160 /nfs/dbraw/zinc/35/21/60/412352160.db2.gz JEXCUPVDXOIAAK-DTWKUNHWSA-N 1 3 215.297 -0.911 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000662953086 412353724 /nfs/dbraw/zinc/35/37/24/412353724.db2.gz JEXCUPVDXOIAAK-IUCAKERBSA-N 1 3 215.297 -0.911 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000662953088 412353525 /nfs/dbraw/zinc/35/35/25/412353525.db2.gz JEXCUPVDXOIAAK-RKDXNWHRSA-N 1 3 215.297 -0.911 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000662953773 412353552 /nfs/dbraw/zinc/35/35/52/412353552.db2.gz PZDKPCRCIVEKCA-NXEZZACHSA-N 1 3 229.324 -0.521 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000662953774 412353304 /nfs/dbraw/zinc/35/33/04/412353304.db2.gz PZDKPCRCIVEKCA-UWVGGRQHSA-N 1 3 229.324 -0.521 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000662953775 412353738 /nfs/dbraw/zinc/35/37/38/412353738.db2.gz PZDKPCRCIVEKCA-VHSXEESVSA-N 1 3 229.324 -0.521 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000662953776 412353655 /nfs/dbraw/zinc/35/36/55/412353655.db2.gz PZDKPCRCIVEKCA-ZJUUUORDSA-N 1 3 229.324 -0.521 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000662964524 412356908 /nfs/dbraw/zinc/35/69/08/412356908.db2.gz FXARXDVAZTWXSV-CRCLSJGQSA-N 1 3 213.203 -0.400 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)C(N)C(F)(F)F ZINC000662964525 412356838 /nfs/dbraw/zinc/35/68/38/412356838.db2.gz FXARXDVAZTWXSV-RFZPGFLSSA-N 1 3 213.203 -0.400 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)C(N)C(F)(F)F ZINC000662964526 412357020 /nfs/dbraw/zinc/35/70/20/412357020.db2.gz FXARXDVAZTWXSV-UHNVWZDZSA-N 1 3 213.203 -0.400 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000662964527 412356529 /nfs/dbraw/zinc/35/65/29/412356529.db2.gz FXARXDVAZTWXSV-WHFBIAKZSA-N 1 3 213.203 -0.400 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CNCCC1(F)F ZINC000662965223 487773909 /nfs/dbraw/zinc/77/39/09/487773909.db2.gz NCDMVAHIBRMCKE-HTQZYQBOSA-N 1 3 235.278 -0.045 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)[C@H]1CNCCC1(F)F ZINC000662965225 487773741 /nfs/dbraw/zinc/77/37/41/487773741.db2.gz NCDMVAHIBRMCKE-JGVFFNPUSA-N 1 3 235.278 -0.045 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CNCCC1(F)F ZINC000662965230 487773899 /nfs/dbraw/zinc/77/38/99/487773899.db2.gz NCDMVAHIBRMCKE-SFYZADRCSA-N 1 3 235.278 -0.045 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CNCCC1(F)F ZINC000662965233 487773767 /nfs/dbraw/zinc/77/37/67/487773767.db2.gz NCDMVAHIBRMCKE-YUMQZZPRSA-N 1 3 235.278 -0.045 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000662966329 412358244 /nfs/dbraw/zinc/35/82/44/412358244.db2.gz XTERXRASIVJTEL-MRVPVSSYSA-N 1 3 215.297 -0.911 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)COC1(C)CNC1 ZINC000662966330 412358599 /nfs/dbraw/zinc/35/85/99/412358599.db2.gz XTERXRASIVJTEL-QMMMGPOBSA-N 1 3 215.297 -0.911 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000662966993 412359078 /nfs/dbraw/zinc/35/90/78/412359078.db2.gz WVUJNVFBRQXPGB-BDAKNGLRSA-N 1 3 231.365 -0.194 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000662966994 412358358 /nfs/dbraw/zinc/35/83/58/412358358.db2.gz WVUJNVFBRQXPGB-DTWKUNHWSA-N 1 3 231.365 -0.194 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000662966995 412358648 /nfs/dbraw/zinc/35/86/48/412358648.db2.gz WVUJNVFBRQXPGB-IUCAKERBSA-N 1 3 231.365 -0.194 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000662966996 412358270 /nfs/dbraw/zinc/35/82/70/412358270.db2.gz WVUJNVFBRQXPGB-RKDXNWHRSA-N 1 3 231.365 -0.194 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)CCOC1CNC1 ZINC000662967280 490246537 /nfs/dbraw/zinc/24/65/37/490246537.db2.gz ZADSEWRJQMDGBA-MRVPVSSYSA-N 1 3 215.297 -0.911 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)CCOC1CNC1 ZINC000662967281 490246553 /nfs/dbraw/zinc/24/65/53/490246553.db2.gz ZADSEWRJQMDGBA-QMMMGPOBSA-N 1 3 215.297 -0.911 20 0 BBADHO C[NH+](C)CCC[C@H]1CN(C(=O)CN)CCO1 ZINC000662971437 412362159 /nfs/dbraw/zinc/36/21/59/412362159.db2.gz AGJKDDHXTBYCAF-JTQLQIEISA-N 1 3 229.324 -0.486 20 0 BBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)CN)CCO1 ZINC000662971438 412361967 /nfs/dbraw/zinc/36/19/67/412361967.db2.gz AGJKDDHXTBYCAF-SNVBAGLBSA-N 1 3 229.324 -0.486 20 0 BBADHO CNCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662971591 412361625 /nfs/dbraw/zinc/36/16/25/412361625.db2.gz CDBCMPLGYJKGRH-LLVKDONJSA-N 1 3 243.351 -0.225 20 0 BBADHO CNCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662971592 412361907 /nfs/dbraw/zinc/36/19/07/412361907.db2.gz CDBCMPLGYJKGRH-NSHDSACASA-N 1 3 243.351 -0.225 20 0 BBADHO C[C@@H](N)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662972452 412361359 /nfs/dbraw/zinc/36/13/59/412361359.db2.gz JHFAGNXEHGONSC-GHMZBOCLSA-N 1 3 243.351 -0.097 20 0 BBADHO C[C@@H](N)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972454 412362035 /nfs/dbraw/zinc/36/20/35/412362035.db2.gz JHFAGNXEHGONSC-MNOVXSKESA-N 1 3 243.351 -0.097 20 0 BBADHO C[C@H](N)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972456 412361764 /nfs/dbraw/zinc/36/17/64/412361764.db2.gz JHFAGNXEHGONSC-QWRGUYRKSA-N 1 3 243.351 -0.097 20 0 BBADHO C[C@H](N)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662972458 412361492 /nfs/dbraw/zinc/36/14/92/412361492.db2.gz JHFAGNXEHGONSC-WDEREUQCSA-N 1 3 243.351 -0.097 20 0 BBADHO C[C@@]1(NC(=O)C[C@H]2CNCCO2)CC[NH2+]C1 ZINC000663003005 412366797 /nfs/dbraw/zinc/36/67/97/412366797.db2.gz BTZKGLSPRRWFCL-GXSJLCMTSA-N 1 3 227.308 -0.767 20 0 BBADHO C[C@]1(NC(=O)C[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000663003006 412367174 /nfs/dbraw/zinc/36/71/74/412367174.db2.gz BTZKGLSPRRWFCL-KOLCDFICSA-N 1 3 227.308 -0.767 20 0 BBADHO C[C@@]1(NC(=O)C[C@@H]2CNCCO2)CC[NH2+]C1 ZINC000663003007 412366216 /nfs/dbraw/zinc/36/62/16/412366216.db2.gz BTZKGLSPRRWFCL-MWLCHTKSSA-N 1 3 227.308 -0.767 20 0 BBADHO C[C@]1(NC(=O)C[C@H]2CNCCO2)CC[NH2+]C1 ZINC000663003008 412366234 /nfs/dbraw/zinc/36/62/34/412366234.db2.gz BTZKGLSPRRWFCL-ONGXEEELSA-N 1 3 227.308 -0.767 20 0 BBADHO C[C@@]1(NC(=O)CNC[C@@H]2CCCO2)CC[NH2+]C1 ZINC000663004272 412367538 /nfs/dbraw/zinc/36/75/38/412367538.db2.gz NMRURJMIMQLPNE-CMPLNLGQSA-N 1 3 241.335 -0.377 20 0 BBADHO C[C@]1(NC(=O)CNC[C@@H]2CCCO2)CC[NH2+]C1 ZINC000663004273 412367576 /nfs/dbraw/zinc/36/75/76/412367576.db2.gz NMRURJMIMQLPNE-JQWIXIFHSA-N 1 3 241.335 -0.377 20 0 BBADHO C[C@]1(NC(=O)CNC[C@H]2CCCO2)CC[NH2+]C1 ZINC000663004274 412367788 /nfs/dbraw/zinc/36/77/88/412367788.db2.gz NMRURJMIMQLPNE-PWSUYJOCSA-N 1 3 241.335 -0.377 20 0 BBADHO C[C@@]1(NC(=O)CNC[C@H]2CCCO2)CC[NH2+]C1 ZINC000663004275 412367918 /nfs/dbraw/zinc/36/79/18/412367918.db2.gz NMRURJMIMQLPNE-ZYHUDNBSSA-N 1 3 241.335 -0.377 20 0 BBADHO COCCNCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663005652 412355515 /nfs/dbraw/zinc/35/55/15/412355515.db2.gz YZHOYPPPPKOOEQ-JTQLQIEISA-N 1 3 215.297 -0.909 20 0 BBADHO COCCNCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663005656 412355617 /nfs/dbraw/zinc/35/56/17/412355617.db2.gz YZHOYPPPPKOOEQ-SNVBAGLBSA-N 1 3 215.297 -0.909 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663009633 412368770 /nfs/dbraw/zinc/36/87/70/412368770.db2.gz GKGWWMUYNNXMRT-GZMMTYOYSA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663009634 412368581 /nfs/dbraw/zinc/36/85/81/412368581.db2.gz GKGWWMUYNNXMRT-KCJUWKMLSA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663009635 412368513 /nfs/dbraw/zinc/36/85/13/412368513.db2.gz GKGWWMUYNNXMRT-KWQFWETISA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663009636 412368895 /nfs/dbraw/zinc/36/88/95/412368895.db2.gz GKGWWMUYNNXMRT-LDYMZIIASA-N 1 3 211.309 -0.147 20 0 BBADHO CC1(OCC(=O)N[C@@]2(C)CC[NH2+]C2)CNC1 ZINC000663010194 412368608 /nfs/dbraw/zinc/36/86/08/412368608.db2.gz INYHIAPIQCTPKQ-JTQLQIEISA-N 1 3 227.308 -0.767 20 0 BBADHO CC1(OCC(=O)N[C@]2(C)CC[NH2+]C2)CNC1 ZINC000663010196 412369126 /nfs/dbraw/zinc/36/91/26/412369126.db2.gz INYHIAPIQCTPKQ-SNVBAGLBSA-N 1 3 227.308 -0.767 20 0 BBADHO C[C@@]1(NC(=O)CCOC2CNC2)CC[NH2+]C1 ZINC000663010954 412369956 /nfs/dbraw/zinc/36/99/56/412369956.db2.gz MSWVYYZBZDCCNP-LLVKDONJSA-N 1 3 227.308 -0.767 20 0 BBADHO C[C@]1(NC(=O)CCOC2CNC2)CC[NH2+]C1 ZINC000663010955 412369634 /nfs/dbraw/zinc/36/96/34/412369634.db2.gz MSWVYYZBZDCCNP-NSHDSACASA-N 1 3 227.308 -0.767 20 0 BBADHO C[C@@]1(NC(=O)C[C@H]2CSCCN2)CC[NH2+]C1 ZINC000663012130 412369853 /nfs/dbraw/zinc/36/98/53/412369853.db2.gz UMXZTJDYHMQMQQ-GXSJLCMTSA-N 1 3 243.376 -0.050 20 0 BBADHO C[C@]1(NC(=O)C[C@@H]2CSCCN2)CC[NH2+]C1 ZINC000663012131 412369732 /nfs/dbraw/zinc/36/97/32/412369732.db2.gz UMXZTJDYHMQMQQ-KOLCDFICSA-N 1 3 243.376 -0.050 20 0 BBADHO C[C@@]1(NC(=O)C[C@@H]2CSCCN2)CC[NH2+]C1 ZINC000663012132 412370059 /nfs/dbraw/zinc/37/00/59/412370059.db2.gz UMXZTJDYHMQMQQ-MWLCHTKSSA-N 1 3 243.376 -0.050 20 0 BBADHO C[C@]1(NC(=O)C[C@H]2CSCCN2)CC[NH2+]C1 ZINC000663012133 412370348 /nfs/dbraw/zinc/37/03/48/412370348.db2.gz UMXZTJDYHMQMQQ-ONGXEEELSA-N 1 3 243.376 -0.050 20 0 BBADHO C[C@@]1(CN2CCOC3(CNC3)C2)CC[NH2+]C1 ZINC000663217086 412393718 /nfs/dbraw/zinc/39/37/18/412393718.db2.gz BVTSHJIGABRAQB-LLVKDONJSA-N 1 3 225.336 -0.340 20 0 BBADHO C[C@]1(CN2CCOC3(CNC3)C2)CC[NH2+]C1 ZINC000663217088 412393601 /nfs/dbraw/zinc/39/36/01/412393601.db2.gz BVTSHJIGABRAQB-NSHDSACASA-N 1 3 225.336 -0.340 20 0 BBADHO [NH3+]CC1(CC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000663217602 412393092 /nfs/dbraw/zinc/39/30/92/412393092.db2.gz OFWCTLLAUPOJAQ-UHFFFAOYSA-N 1 3 239.319 -0.684 20 0 BBADHO C(N1CCOC2(CNC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663217801 412393660 /nfs/dbraw/zinc/39/36/60/412393660.db2.gz RNWJLCPTYUOGIF-MNOVXSKESA-N 1 3 223.320 -0.730 20 0 BBADHO C(N1CCOC2(CNC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663217805 412393535 /nfs/dbraw/zinc/39/35/35/412393535.db2.gz RNWJLCPTYUOGIF-WDEREUQCSA-N 1 3 223.320 -0.730 20 0 BBADHO CCC[C@@](C)([NH3+])C(=O)N1CCOC2(CNC2)C1 ZINC000663485824 411669221 /nfs/dbraw/zinc/66/92/21/411669221.db2.gz ZCYXXNQKCUCGRC-LLVKDONJSA-N 1 3 241.335 -0.295 20 0 BBADHO CCC[C@](C)([NH3+])C(=O)N1CCOC2(CNC2)C1 ZINC000663485825 411669907 /nfs/dbraw/zinc/66/99/07/411669907.db2.gz ZCYXXNQKCUCGRC-NSHDSACASA-N 1 3 241.335 -0.295 20 0 BBADHO CCN(CC)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663487414 411670046 /nfs/dbraw/zinc/67/00/46/411670046.db2.gz HGZHLMFBMGPGOU-UHFFFAOYSA-N 1 3 241.335 -0.471 20 0 BBADHO CC(C)N(C)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663489338 411671470 /nfs/dbraw/zinc/67/14/70/411671470.db2.gz OKIRSAYWLNOIBC-UHFFFAOYSA-N 1 3 241.335 -0.473 20 0 BBADHO CC(C)[NH2+]CCC(=O)N1CCOC2(CNC2)C1 ZINC000663490488 411670598 /nfs/dbraw/zinc/67/05/98/411670598.db2.gz AOIUCXPQFIIDAE-UHFFFAOYSA-N 1 3 241.335 -0.425 20 0 BBADHO C[NH2+]CCCC(=O)N1CCOC2(CNC2)C1 ZINC000663490545 411671827 /nfs/dbraw/zinc/67/18/27/411671827.db2.gz CKMODWIXZYAYHK-UHFFFAOYSA-N 1 3 227.308 -0.813 20 0 BBADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663490551 411671647 /nfs/dbraw/zinc/67/16/47/411671647.db2.gz CLXWPXXUBUSLHQ-SECBINFHSA-N 1 3 239.319 -0.815 20 0 BBADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663490552 411670761 /nfs/dbraw/zinc/67/07/61/411670761.db2.gz CLXWPXXUBUSLHQ-VIFPVBQESA-N 1 3 239.319 -0.815 20 0 BBADHO CCCN(C)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490656 411670629 /nfs/dbraw/zinc/67/06/29/411670629.db2.gz WPHYEPGVKLVBDE-UHFFFAOYSA-N 1 3 241.335 -0.471 20 0 BBADHO CC(C)[NH2+]CC(=O)N1CCOC2(CNC2)C1 ZINC000663490904 411671292 /nfs/dbraw/zinc/67/12/92/411671292.db2.gz CLRAOYQJXNCFCD-UHFFFAOYSA-N 1 3 227.308 -0.815 20 0 BBADHO O=C(CC[NH2+]C1CC1)N1CCOC2(CNC2)C1 ZINC000663491333 411671655 /nfs/dbraw/zinc/67/16/55/411671655.db2.gz DUYUINJQYCTYLC-UHFFFAOYSA-N 1 3 239.319 -0.671 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663491810 411671600 /nfs/dbraw/zinc/67/16/00/411671600.db2.gz JRZPLBRKKTZCIR-VHSXEESVSA-N 1 3 239.319 -0.685 20 0 BBADHO CCC[NH2+][C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663491921 411670857 /nfs/dbraw/zinc/67/08/57/411670857.db2.gz NFCDCNJANOPDDB-JTQLQIEISA-N 1 3 241.335 -0.425 20 0 BBADHO CCC[NH2+][C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663491922 411671593 /nfs/dbraw/zinc/67/15/93/411671593.db2.gz NFCDCNJANOPDDB-SNVBAGLBSA-N 1 3 241.335 -0.425 20 0 BBADHO C[C@@H]([NH3+])CCC(=O)N1CCOC2(CNC2)C1 ZINC000663491925 411671270 /nfs/dbraw/zinc/67/12/70/411671270.db2.gz NKMYDXJYAHFURB-SECBINFHSA-N 1 3 227.308 -0.685 20 0 BBADHO C[C@H]([NH3+])CCC(=O)N1CCOC2(CNC2)C1 ZINC000663491926 411671225 /nfs/dbraw/zinc/67/12/25/411671225.db2.gz NKMYDXJYAHFURB-VIFPVBQESA-N 1 3 227.308 -0.685 20 0 BBADHO O=C(C[NH2+]CC1CC1)N1CCOC2(CNC2)C1 ZINC000663492237 411671177 /nfs/dbraw/zinc/67/11/77/411671177.db2.gz QATPULWVHKMLFN-UHFFFAOYSA-N 1 3 239.319 -0.813 20 0 BBADHO C[NH2+]C[C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663492273 488042346 /nfs/dbraw/zinc/04/23/46/488042346.db2.gz RHHDFDAPXURZKA-SECBINFHSA-N 1 3 227.308 -0.957 20 0 BBADHO C[NH2+]C[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663492274 488042358 /nfs/dbraw/zinc/04/23/58/488042358.db2.gz RHHDFDAPXURZKA-VIFPVBQESA-N 1 3 227.308 -0.957 20 0 BBADHO O=C([C@@H]1CCC[NH2+]C1)N1CCOC2(CNC2)C1 ZINC000663492282 411670834 /nfs/dbraw/zinc/67/08/34/411670834.db2.gz RPBUTDXZBKIHGL-SNVBAGLBSA-N 1 3 239.319 -0.813 20 0 BBADHO O=C(C[C@@H]1CCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663492423 411671635 /nfs/dbraw/zinc/67/16/35/411671635.db2.gz SWCIAXUILOXJJP-JTQLQIEISA-N 1 3 239.319 -0.671 20 0 BBADHO O=C(C[C@H]1CCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000663492424 411670610 /nfs/dbraw/zinc/67/06/10/411670610.db2.gz SWCIAXUILOXJJP-SNVBAGLBSA-N 1 3 239.319 -0.671 20 0 BBADHO CC(C)([NH3+])CC(=O)N1CCOC2(CNC2)C1 ZINC000663492453 411670578 /nfs/dbraw/zinc/67/05/78/411670578.db2.gz UTZFULOYKZWBGT-UHFFFAOYSA-N 1 3 227.308 -0.685 20 0 BBADHO C[C@@]1(C(=O)N2CCOC3(CNC3)C2)CC[NH2+]C1 ZINC000663492458 411671618 /nfs/dbraw/zinc/67/16/18/411671618.db2.gz UXAXXSQQLPCZTO-LLVKDONJSA-N 1 3 239.319 -0.813 20 0 BBADHO C[C@]1(C(=O)N2CCOC3(CNC3)C2)CC[NH2+]C1 ZINC000663492459 411670496 /nfs/dbraw/zinc/67/04/96/411670496.db2.gz UXAXXSQQLPCZTO-NSHDSACASA-N 1 3 239.319 -0.813 20 0 BBADHO C[C@@H](C(=O)N1CCOC2(CNC2)C1)[C@H](C)[NH3+] ZINC000663492732 411671356 /nfs/dbraw/zinc/67/13/56/411671356.db2.gz XCJABFXXGJFYFM-BDAKNGLRSA-N 1 3 227.308 -0.830 20 0 BBADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663492733 411666572 /nfs/dbraw/zinc/66/65/72/411666572.db2.gz XCJABFXXGJFYFM-DTWKUNHWSA-N 1 3 227.308 -0.830 20 0 BBADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663492734 411667536 /nfs/dbraw/zinc/66/75/36/411667536.db2.gz XCJABFXXGJFYFM-IUCAKERBSA-N 1 3 227.308 -0.830 20 0 BBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663492735 411666212 /nfs/dbraw/zinc/66/62/12/411666212.db2.gz XCJABFXXGJFYFM-RKDXNWHRSA-N 1 3 227.308 -0.830 20 0 BBADHO CC(C)(C[NH3+])C(=O)N1CCOC2(CNC2)C1 ZINC000663492741 411671406 /nfs/dbraw/zinc/67/14/06/411671406.db2.gz XFEIYVIEHMGXPX-UHFFFAOYSA-N 1 3 227.308 -0.828 20 0 BBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492748 411670588 /nfs/dbraw/zinc/67/05/88/411670588.db2.gz XLEGNXZRTKMHOK-NXEZZACHSA-N 1 3 239.319 -0.815 20 0 BBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492749 411671809 /nfs/dbraw/zinc/67/18/09/411671809.db2.gz XLEGNXZRTKMHOK-UWVGGRQHSA-N 1 3 239.319 -0.815 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492750 411671773 /nfs/dbraw/zinc/67/17/73/411671773.db2.gz XLEGNXZRTKMHOK-VHSXEESVSA-N 1 3 239.319 -0.815 20 0 BBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492751 411670809 /nfs/dbraw/zinc/67/08/09/411670809.db2.gz XLEGNXZRTKMHOK-ZJUUUORDSA-N 1 3 239.319 -0.815 20 0 BBADHO [NH3+]C1(CC(=O)N2CCOC3(CNC3)C2)CCC1 ZINC000663492800 411670524 /nfs/dbraw/zinc/67/05/24/411670524.db2.gz ZFNRWXZSAWEOLD-UHFFFAOYSA-N 1 3 239.319 -0.541 20 0 BBADHO CC[C@@H]([NH2+]C)C(=O)N1CCOC2(CNC2)C1 ZINC000663493139 488042543 /nfs/dbraw/zinc/04/25/43/488042543.db2.gz YXFGEOCBGKECMX-SECBINFHSA-N 1 3 227.308 -0.815 20 0 BBADHO CC[C@H]([NH2+]C)C(=O)N1CCOC2(CNC2)C1 ZINC000663493143 488043014 /nfs/dbraw/zinc/04/30/14/488043014.db2.gz YXFGEOCBGKECMX-VIFPVBQESA-N 1 3 227.308 -0.815 20 0 BBADHO COCCNCCNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495531 411669527 /nfs/dbraw/zinc/66/95/27/411669527.db2.gz YQNHHMXQLZNBBA-GHMZBOCLSA-N 1 3 213.325 -0.579 20 0 BBADHO COCCNCCNC[C@]12C[C@H]1C[NH2+]C2 ZINC000663495534 411669079 /nfs/dbraw/zinc/66/90/79/411669079.db2.gz YQNHHMXQLZNBBA-QWRGUYRKSA-N 1 3 213.325 -0.579 20 0 BBADHO F[C@@H]1CN[C@H](CNC[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663499888 488048569 /nfs/dbraw/zinc/04/85/69/488048569.db2.gz WVUHIECZFFNOKL-RCWTZXSCSA-N 1 3 213.300 -0.115 20 0 BBADHO F[C@@H]1CN[C@H](CNC[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663499890 488048457 /nfs/dbraw/zinc/04/84/57/488048457.db2.gz WVUHIECZFFNOKL-XWLWVQCSSA-N 1 3 213.300 -0.115 20 0 BBADHO C(NC[C@]12C[C@H]1C[NH2+]C2)[C@@H]1CNCCO1 ZINC000663500194 411683810 /nfs/dbraw/zinc/68/38/10/411683810.db2.gz YVYOAWWFDPDLHI-GARJFASQSA-N 1 3 211.309 -0.826 20 0 BBADHO C(NC[C@@]12C[C@@H]1C[NH2+]C2)[C@@H]1CNCCO1 ZINC000663500196 411683549 /nfs/dbraw/zinc/68/35/49/411683549.db2.gz YVYOAWWFDPDLHI-VWYCJHECSA-N 1 3 211.309 -0.826 20 0 BBADHO N[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1F ZINC000663506563 411689450 /nfs/dbraw/zinc/68/94/50/411689450.db2.gz VEGCQUYXBVGWPJ-DBIOUOCHSA-N 1 3 213.300 -0.033 20 0 BBADHO N[C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)CC[C@H]1F ZINC000663506565 411689965 /nfs/dbraw/zinc/68/99/65/411689965.db2.gz VEGCQUYXBVGWPJ-LNFKQOIKSA-N 1 3 213.300 -0.033 20 0 BBADHO [NH3+]CC1(CN2CCOC3(CNC3)C2)CC1 ZINC000663509007 411690893 /nfs/dbraw/zinc/69/08/93/411690893.db2.gz INFFHHSUWLTEMB-UHFFFAOYSA-N 1 3 211.309 -0.601 20 0 BBADHO C(C1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC000663512409 411695073 /nfs/dbraw/zinc/69/50/73/411695073.db2.gz LBXJYLMXWBOBJU-UHFFFAOYSA-N 1 3 225.336 -0.340 20 0 BBADHO CC(C)(C)[C@H](N)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664724697 412014108 /nfs/dbraw/zinc/01/41/08/412014108.db2.gz FPFJNCHTYVTNLX-SECBINFHSA-N 1 3 241.335 -0.439 20 0 BBADHO [NH3+]C1(C(=O)N2CCOC3(CNC3)C2)CCCC1 ZINC000664724782 412014262 /nfs/dbraw/zinc/01/42/62/412014262.db2.gz HHZSUKVPOAXNAI-UHFFFAOYSA-N 1 3 239.319 -0.541 20 0 BBADHO O=C([C@@H]1CCCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000664726424 412014334 /nfs/dbraw/zinc/01/43/34/412014334.db2.gz RHFLJGNFHKXHAA-JTQLQIEISA-N 1 3 239.319 -0.671 20 0 BBADHO O=C([C@H]1CCCC[NH2+]1)N1CCOC2(CNC2)C1 ZINC000664726427 412014570 /nfs/dbraw/zinc/01/45/70/412014570.db2.gz RHFLJGNFHKXHAA-SNVBAGLBSA-N 1 3 239.319 -0.671 20 0 BBADHO CC(C)([NH3+])CCC(=O)N1CCOC2(CNC2)C1 ZINC000664726551 412014787 /nfs/dbraw/zinc/01/47/87/412014787.db2.gz RVYNYEBCGBYIGA-UHFFFAOYSA-N 1 3 241.335 -0.295 20 0 BBADHO [NH3+]C1(CC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000664727923 412013935 /nfs/dbraw/zinc/01/39/35/412013935.db2.gz SSCQORPVWPANCV-UHFFFAOYSA-N 1 3 225.292 -0.931 20 0 BBADHO CN(CCCN[C@@H]1CCC[C@H]1[NH3+])S(C)(=O)=O ZINC000665230510 412168632 /nfs/dbraw/zinc/16/86/32/412168632.db2.gz QGKLWPAQQBKUSC-NXEZZACHSA-N 1 3 249.380 -0.263 20 0 BBADHO CN(CCCN[C@H]1CCC[C@@H]1[NH3+])S(C)(=O)=O ZINC000665230511 412167668 /nfs/dbraw/zinc/16/76/68/412167668.db2.gz QGKLWPAQQBKUSC-UWVGGRQHSA-N 1 3 249.380 -0.263 20 0 BBADHO CN(CCCN[C@@H]1CCC[C@@H]1[NH3+])S(C)(=O)=O ZINC000665230512 412167520 /nfs/dbraw/zinc/16/75/20/412167520.db2.gz QGKLWPAQQBKUSC-VHSXEESVSA-N 1 3 249.380 -0.263 20 0 BBADHO CN(CCCN[C@H]1CCC[C@H]1[NH3+])S(C)(=O)=O ZINC000665230513 412167507 /nfs/dbraw/zinc/16/75/07/412167507.db2.gz QGKLWPAQQBKUSC-ZJUUUORDSA-N 1 3 249.380 -0.263 20 0 BBADHO C[C@@H](NCCCN(C)S(C)(=O)=O)C1C[NH2+]C1 ZINC000665230882 412168451 /nfs/dbraw/zinc/16/84/51/412168451.db2.gz XRJATTZJDOECRF-SECBINFHSA-N 1 3 249.380 -0.535 20 0 BBADHO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C1CNC1 ZINC000665230882 412168448 /nfs/dbraw/zinc/16/84/48/412168448.db2.gz XRJATTZJDOECRF-SECBINFHSA-N 1 3 249.380 -0.535 20 0 BBADHO C[C@H](NCCCN(C)S(C)(=O)=O)C1C[NH2+]C1 ZINC000665230883 412167180 /nfs/dbraw/zinc/16/71/80/412167180.db2.gz XRJATTZJDOECRF-VIFPVBQESA-N 1 3 249.380 -0.535 20 0 BBADHO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C1CNC1 ZINC000665230883 412167174 /nfs/dbraw/zinc/16/71/74/412167174.db2.gz XRJATTZJDOECRF-VIFPVBQESA-N 1 3 249.380 -0.535 20 0 BBADHO C[C@@H](C[C@H]1COCCN1)N[C@H]1CC[NH2+]C1 ZINC000665241397 412185157 /nfs/dbraw/zinc/18/51/57/412185157.db2.gz LLUACGOUEHYMOK-DCAQKATOSA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@@H](C[C@@H]1COCCN1)N[C@H]1CC[NH2+]C1 ZINC000665241398 412185035 /nfs/dbraw/zinc/18/50/35/412185035.db2.gz LLUACGOUEHYMOK-GARJFASQSA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@H](C[C@@H]1COCCN1)N[C@H]1CC[NH2+]C1 ZINC000665241399 412184102 /nfs/dbraw/zinc/18/41/02/412184102.db2.gz LLUACGOUEHYMOK-OUAUKWLOSA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@H](C[C@H]1COCCN1)N[C@H]1CC[NH2+]C1 ZINC000665241400 412184762 /nfs/dbraw/zinc/18/47/62/412184762.db2.gz LLUACGOUEHYMOK-VWYCJHECSA-N 1 3 213.325 -0.295 20 0 BBADHO C1CC1[C@@H](N[C@H]1CC[NH2+]C1)[C@H]1CNCCO1 ZINC000665241622 412185400 /nfs/dbraw/zinc/18/54/00/412185400.db2.gz UCRMCWVYAZFGRD-QJPTWQEYSA-N 1 3 225.336 -0.295 20 0 BBADHO C1CC1[C@@H](N[C@H]1CC[NH2+]C1)[C@@H]1CNCCO1 ZINC000665241623 412184650 /nfs/dbraw/zinc/18/46/50/412184650.db2.gz UCRMCWVYAZFGRD-SDDRHHMPSA-N 1 3 225.336 -0.295 20 0 BBADHO C1CC1[C@H](N[C@H]1CC[NH2+]C1)[C@@H]1CNCCO1 ZINC000665241624 412185697 /nfs/dbraw/zinc/18/56/97/412185697.db2.gz UCRMCWVYAZFGRD-SRVKXCTJSA-N 1 3 225.336 -0.295 20 0 BBADHO C1CC1[C@H](N[C@H]1CC[NH2+]C1)[C@H]1CNCCO1 ZINC000665241625 412184838 /nfs/dbraw/zinc/18/48/38/412184838.db2.gz UCRMCWVYAZFGRD-TUAOUCFPSA-N 1 3 225.336 -0.295 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294383 412238978 /nfs/dbraw/zinc/23/89/78/412238978.db2.gz NPUHKFONTFFULL-HTQZYQBOSA-N 1 3 239.323 -0.144 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294384 412238647 /nfs/dbraw/zinc/23/86/47/412238647.db2.gz NPUHKFONTFFULL-JGVFFNPUSA-N 1 3 239.323 -0.144 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294385 412238821 /nfs/dbraw/zinc/23/88/21/412238821.db2.gz NPUHKFONTFFULL-SFYZADRCSA-N 1 3 239.323 -0.144 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294386 412238809 /nfs/dbraw/zinc/23/88/09/412238809.db2.gz NPUHKFONTFFULL-YUMQZZPRSA-N 1 3 239.323 -0.144 20 0 BBADHO C[NH2+]C[C@H](C)N[C@@H](C)C[C@H]1COCCN1 ZINC000665298367 487694309 /nfs/dbraw/zinc/69/43/09/487694309.db2.gz VJKIHHVJQXEOKT-DCAQKATOSA-N 1 3 215.341 -0.049 20 0 BBADHO C[NH2+]C[C@H](C)N[C@@H](C)C[C@@H]1COCCN1 ZINC000665298368 487694109 /nfs/dbraw/zinc/69/41/09/487694109.db2.gz VJKIHHVJQXEOKT-GARJFASQSA-N 1 3 215.341 -0.049 20 0 BBADHO C[NH2+]C[C@H](C)N[C@H](C)C[C@@H]1COCCN1 ZINC000665298369 487694202 /nfs/dbraw/zinc/69/42/02/487694202.db2.gz VJKIHHVJQXEOKT-OUAUKWLOSA-N 1 3 215.341 -0.049 20 0 BBADHO C[NH2+]C[C@H](C)N[C@H](C)C[C@H]1COCCN1 ZINC000665298370 487694053 /nfs/dbraw/zinc/69/40/53/487694053.db2.gz VJKIHHVJQXEOKT-VWYCJHECSA-N 1 3 215.341 -0.049 20 0 BBADHO C[NH2+]C[C@H](C)N[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000665299478 412248247 /nfs/dbraw/zinc/24/82/47/412248247.db2.gz NYODCVIZVUPKSY-DLOVCJGASA-N 1 3 227.352 -0.049 20 0 BBADHO C[NH2+]C[C@H](C)N[C@H](C1CC1)[C@H]1CNCCO1 ZINC000665299479 412247045 /nfs/dbraw/zinc/24/70/45/412247045.db2.gz NYODCVIZVUPKSY-MVWJERBFSA-N 1 3 227.352 -0.049 20 0 BBADHO C[NH2+]C[C@H](C)N[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000665299480 412246520 /nfs/dbraw/zinc/24/65/20/412246520.db2.gz NYODCVIZVUPKSY-WCQGTBRESA-N 1 3 227.352 -0.049 20 0 BBADHO C[NH2+]C[C@H](C)N[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000665299481 412245986 /nfs/dbraw/zinc/24/59/86/412245986.db2.gz NYODCVIZVUPKSY-ZMLRMANQSA-N 1 3 227.352 -0.049 20 0 BBADHO CN1CCC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000669403169 487705251 /nfs/dbraw/zinc/70/52/51/487705251.db2.gz NAOSVMAGRFJADX-UKKRHICBSA-N 1 3 238.335 -0.402 20 0 BBADHO CN1CCC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000669403170 487705560 /nfs/dbraw/zinc/70/55/60/487705560.db2.gz NAOSVMAGRFJADX-ZNSHCXBVSA-N 1 3 238.335 -0.402 20 0 BBADHO CC[NH2+]CCNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403171 487705504 /nfs/dbraw/zinc/70/55/04/487705504.db2.gz NAOZQXGHUAWLMB-JTQLQIEISA-N 1 3 228.340 -0.011 20 0 BBADHO CC[NH2+]CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403172 487706059 /nfs/dbraw/zinc/70/60/59/487706059.db2.gz NAOZQXGHUAWLMB-SNVBAGLBSA-N 1 3 228.340 -0.011 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403319 487707459 /nfs/dbraw/zinc/70/74/59/487707459.db2.gz USERXWHXXGMRJH-NXEZZACHSA-N 1 3 228.340 -0.025 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403320 487707472 /nfs/dbraw/zinc/70/74/72/487707472.db2.gz USERXWHXXGMRJH-UWVGGRQHSA-N 1 3 228.340 -0.025 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403321 487707435 /nfs/dbraw/zinc/70/74/35/487707435.db2.gz USERXWHXXGMRJH-VHSXEESVSA-N 1 3 228.340 -0.025 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403322 487707136 /nfs/dbraw/zinc/70/71/36/487707136.db2.gz USERXWHXXGMRJH-ZJUUUORDSA-N 1 3 228.340 -0.025 20 0 BBADHO C[NH2+]CCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403399 487707387 /nfs/dbraw/zinc/70/73/87/487707387.db2.gz YTOJAAPMACZBBA-JTQLQIEISA-N 1 3 228.340 -0.011 20 0 BBADHO C[NH2+]CCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403400 487707464 /nfs/dbraw/zinc/70/74/64/487707464.db2.gz YTOJAAPMACZBBA-SNVBAGLBSA-N 1 3 228.340 -0.011 20 0 BBADHO C[NH2+]CCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491160 488052433 /nfs/dbraw/zinc/05/24/33/488052433.db2.gz NQIXWWGIVRKGGA-LLVKDONJSA-N 1 3 240.351 -0.011 20 0 BBADHO C[NH2+]CCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669491161 488052263 /nfs/dbraw/zinc/05/22/63/488052263.db2.gz NQIXWWGIVRKGGA-NSHDSACASA-N 1 3 240.351 -0.011 20 0 BBADHO COCCCN(C)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669498421 488074570 /nfs/dbraw/zinc/07/45/70/488074570.db2.gz UOIAOONQZVCJRL-JTQLQIEISA-N 1 3 246.355 -0.399 20 0 BBADHO COCCCN(C)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669498422 488074561 /nfs/dbraw/zinc/07/45/61/488074561.db2.gz UOIAOONQZVCJRL-SNVBAGLBSA-N 1 3 246.355 -0.399 20 0 BBADHO COCC[NH2+]CC(=O)N1CCNCC1(C)C ZINC000669512355 488118046 /nfs/dbraw/zinc/11/80/46/488118046.db2.gz HVTMNOCXMXGCFM-UHFFFAOYSA-N 1 3 229.324 -0.567 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514925 488124124 /nfs/dbraw/zinc/12/41/24/488124124.db2.gz SPAYJTHFYCEBOW-GHMZBOCLSA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514926 488123916 /nfs/dbraw/zinc/12/39/16/488123916.db2.gz SPAYJTHFYCEBOW-WDEREUQCSA-N 1 3 243.351 -0.193 20 0 BBADHO C[C@@H](CN(C)C)NC(=O)NCC[NH2+]C1CC1 ZINC000669586479 490111805 /nfs/dbraw/zinc/11/18/05/490111805.db2.gz RFRPCAUESXYFAJ-VIFPVBQESA-N 1 3 228.340 -0.012 20 0 BBADHO CC(C)N(C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000673519784 488292923 /nfs/dbraw/zinc/29/29/23/488292923.db2.gz BGYRNBMMVOVTCI-JTQLQIEISA-N 1 3 231.340 -0.635 20 0 BBADHO CC(C)N(C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673519787 488292912 /nfs/dbraw/zinc/29/29/12/488292912.db2.gz BGYRNBMMVOVTCI-SNVBAGLBSA-N 1 3 231.340 -0.635 20 0 BBADHO CCN(CC)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000673523305 488293664 /nfs/dbraw/zinc/29/36/64/488293664.db2.gz RZNUOXUYJUGKQR-JTQLQIEISA-N 1 3 231.340 -0.633 20 0 BBADHO CCN(CC)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673523307 488293707 /nfs/dbraw/zinc/29/37/07/488293707.db2.gz RZNUOXUYJUGKQR-SNVBAGLBSA-N 1 3 231.340 -0.633 20 0 BBADHO C[C@@H]1C[C@H](NCCc2nnnn2C)CC[N@H+]1C ZINC000678548175 488265924 /nfs/dbraw/zinc/26/59/24/488265924.db2.gz KDEPNYWNELYEIE-NXEZZACHSA-N 1 3 238.339 -0.175 20 0 BBADHO C[C@@H]1C[C@H](NCCc2nnnn2C)CC[N@@H+]1C ZINC000678548175 488265923 /nfs/dbraw/zinc/26/59/23/488265923.db2.gz KDEPNYWNELYEIE-NXEZZACHSA-N 1 3 238.339 -0.175 20 0 BBADHO C[C@H]1C[C@@H](NCCc2nnnn2C)CC[N@H+]1C ZINC000678548176 488265909 /nfs/dbraw/zinc/26/59/09/488265909.db2.gz KDEPNYWNELYEIE-UWVGGRQHSA-N 1 3 238.339 -0.175 20 0 BBADHO C[C@H]1C[C@@H](NCCc2nnnn2C)CC[N@@H+]1C ZINC000678548176 488265907 /nfs/dbraw/zinc/26/59/07/488265907.db2.gz KDEPNYWNELYEIE-UWVGGRQHSA-N 1 3 238.339 -0.175 20 0 BBADHO C[C@H]1C[C@H](NCCc2nnnn2C)CC[N@H+]1C ZINC000678548177 488266266 /nfs/dbraw/zinc/26/62/66/488266266.db2.gz KDEPNYWNELYEIE-VHSXEESVSA-N 1 3 238.339 -0.175 20 0 BBADHO C[C@H]1C[C@H](NCCc2nnnn2C)CC[N@@H+]1C ZINC000678548177 488266263 /nfs/dbraw/zinc/26/62/63/488266263.db2.gz KDEPNYWNELYEIE-VHSXEESVSA-N 1 3 238.339 -0.175 20 0 BBADHO C[C@@H]1C[C@@H](NCCc2nnnn2C)CC[N@H+]1C ZINC000678548178 488266338 /nfs/dbraw/zinc/26/63/38/488266338.db2.gz KDEPNYWNELYEIE-ZJUUUORDSA-N 1 3 238.339 -0.175 20 0 BBADHO C[C@@H]1C[C@@H](NCCc2nnnn2C)CC[N@@H+]1C ZINC000678548178 488266336 /nfs/dbraw/zinc/26/63/36/488266336.db2.gz KDEPNYWNELYEIE-ZJUUUORDSA-N 1 3 238.339 -0.175 20 0 BBADHO CC[NH+]1CCC(NCCc2nnnn2C)CC1 ZINC000678770248 488281188 /nfs/dbraw/zinc/28/11/88/488281188.db2.gz KPGLUFPFAMHGFN-UHFFFAOYSA-N 1 3 238.339 -0.174 20 0 BBADHO C[C@H](CCNS(=O)(=O)C1CNC1)[NH+](C)C ZINC000700565203 711995758 /nfs/dbraw/zinc/99/57/58/711995758.db2.gz ZDZCEURKSXOAMI-MRVPVSSYSA-N 1 3 235.353 -0.782 20 0 BBADHO C[C@@H](CCNS(=O)(=O)C1CNC1)[NH+](C)C ZINC000700565205 711995935 /nfs/dbraw/zinc/99/59/35/711995935.db2.gz ZDZCEURKSXOAMI-QMMMGPOBSA-N 1 3 235.353 -0.782 20 0 BBADHO C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000702324806 712047217 /nfs/dbraw/zinc/04/72/17/712047217.db2.gz UXZWFEUZYWKZGQ-KOLCDFICSA-N 1 3 240.351 -0.772 20 0 BBADHO C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000702324813 712047140 /nfs/dbraw/zinc/04/71/40/712047140.db2.gz UXZWFEUZYWKZGQ-ONGXEEELSA-N 1 3 240.351 -0.772 20 0 BBADHO C[N@H+]1C[C@@H]2CN(C[C@@H]3CNCCO3)C[C@]2(C)C1 ZINC000702338339 712048018 /nfs/dbraw/zinc/04/80/18/712048018.db2.gz VGDNDAAQBDFNCH-AGIUHOORSA-N 1 3 239.363 -0.142 20 0 BBADHO C[N@@H+]1C[C@@H]2CN(C[C@@H]3CNCCO3)C[C@]2(C)C1 ZINC000702338339 712048017 /nfs/dbraw/zinc/04/80/17/712048017.db2.gz VGDNDAAQBDFNCH-AGIUHOORSA-N 1 3 239.363 -0.142 20 0 BBADHO C[N@H+]1C[C@@H]2CN(C[C@H]3CNCCO3)C[C@]2(C)C1 ZINC000702338347 712047616 /nfs/dbraw/zinc/04/76/16/712047616.db2.gz VGDNDAAQBDFNCH-UPJWGTAASA-N 1 3 239.363 -0.142 20 0 BBADHO C[N@@H+]1C[C@@H]2CN(C[C@H]3CNCCO3)C[C@]2(C)C1 ZINC000702338347 712047615 /nfs/dbraw/zinc/04/76/15/712047615.db2.gz VGDNDAAQBDFNCH-UPJWGTAASA-N 1 3 239.363 -0.142 20 0 BBADHO CN1CCCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702339412 712047903 /nfs/dbraw/zinc/04/79/03/712047903.db2.gz QBUHJACLIPQLBJ-JTQLQIEISA-N 1 3 228.340 -0.961 20 0 BBADHO CN1CCC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702340546 712048099 /nfs/dbraw/zinc/04/80/99/712048099.db2.gz WPYGNBIUHWTQAB-UWVGGRQHSA-N 1 3 228.340 -0.914 20 0 BBADHO CN1CCC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702340549 712047520 /nfs/dbraw/zinc/04/75/20/712047520.db2.gz WPYGNBIUHWTQAB-ZJUUUORDSA-N 1 3 228.340 -0.914 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000702341587 712046067 /nfs/dbraw/zinc/04/60/67/712046067.db2.gz GCZKDSCAWAWAJK-NSHDSACASA-N 1 3 242.367 -0.667 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000702342348 712045941 /nfs/dbraw/zinc/04/59/41/712045941.db2.gz LHGCYJOYYDPJLP-MNOVXSKESA-N 1 3 242.367 -0.667 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000702342348 712045939 /nfs/dbraw/zinc/04/59/39/712045939.db2.gz LHGCYJOYYDPJLP-MNOVXSKESA-N 1 3 242.367 -0.667 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000702342350 712045590 /nfs/dbraw/zinc/04/55/90/712045590.db2.gz LHGCYJOYYDPJLP-QWRGUYRKSA-N 1 3 242.367 -0.667 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000702342350 712045588 /nfs/dbraw/zinc/04/55/88/712045588.db2.gz LHGCYJOYYDPJLP-QWRGUYRKSA-N 1 3 242.367 -0.667 20 0 BBADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702342901 712046058 /nfs/dbraw/zinc/04/60/58/712046058.db2.gz QIMGQMPSOWOLDN-MNOVXSKESA-N 1 3 242.367 -0.667 20 0 BBADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702342901 712046056 /nfs/dbraw/zinc/04/60/56/712046056.db2.gz QIMGQMPSOWOLDN-MNOVXSKESA-N 1 3 242.367 -0.667 20 0 BBADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702342903 712045990 /nfs/dbraw/zinc/04/59/90/712045990.db2.gz QIMGQMPSOWOLDN-QWRGUYRKSA-N 1 3 242.367 -0.667 20 0 BBADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702342903 712045989 /nfs/dbraw/zinc/04/59/89/712045989.db2.gz QIMGQMPSOWOLDN-QWRGUYRKSA-N 1 3 242.367 -0.667 20 0 BBADHO CC[NH+]1CCC(NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702342917 712046033 /nfs/dbraw/zinc/04/60/33/712046033.db2.gz QSUSEWJEPLHUKT-NSHDSACASA-N 1 3 242.367 -0.524 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000702343101 712045794 /nfs/dbraw/zinc/04/57/94/712045794.db2.gz UJYWDVPUHGDCIX-JTQLQIEISA-N 1 3 244.383 -0.421 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000702349439 712046584 /nfs/dbraw/zinc/04/65/84/712046584.db2.gz GFGBKLKEJUBPFH-MNOVXSKESA-N 1 3 242.367 -0.572 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000702349442 712046547 /nfs/dbraw/zinc/04/65/47/712046547.db2.gz GFGBKLKEJUBPFH-QWRGUYRKSA-N 1 3 242.367 -0.572 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CN(C)C)CC[N@H+]1C ZINC000702351018 712046309 /nfs/dbraw/zinc/04/63/09/712046309.db2.gz TZEVTVXZGFEHGX-MXWKQRLJSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CN(C)C)CC[N@@H+]1C ZINC000702351018 712046308 /nfs/dbraw/zinc/04/63/08/712046308.db2.gz TZEVTVXZGFEHGX-MXWKQRLJSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CN(C)C)CC[N@H+]1C ZINC000702351022 712046272 /nfs/dbraw/zinc/04/62/72/712046272.db2.gz TZEVTVXZGFEHGX-VWYCJHECSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CN(C)C)CC[N@@H+]1C ZINC000702351022 712046271 /nfs/dbraw/zinc/04/62/71/712046271.db2.gz TZEVTVXZGFEHGX-VWYCJHECSA-N 1 3 242.367 -0.526 20 0 BBADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CN(C)C ZINC000702386048 712049109 /nfs/dbraw/zinc/04/91/09/712049109.db2.gz GUJUOAXVMLWVQP-JTQLQIEISA-N 1 3 230.356 -0.667 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000702387151 712049856 /nfs/dbraw/zinc/04/98/56/712049856.db2.gz LKSYJLCIULTYCI-VIFPVBQESA-N 1 3 230.356 -0.668 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)CN(C)C ZINC000702387286 712050434 /nfs/dbraw/zinc/05/04/34/712050434.db2.gz MLXIVVVJCWBFOJ-UWVGGRQHSA-N 1 3 230.356 -0.668 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)CN(C)C ZINC000702387290 712050384 /nfs/dbraw/zinc/05/03/84/712050384.db2.gz MLXIVVVJCWBFOJ-ZJUUUORDSA-N 1 3 230.356 -0.668 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000702388200 712049877 /nfs/dbraw/zinc/04/98/77/712049877.db2.gz QWAVKASYGFFFBH-JTQLQIEISA-N 1 3 230.356 -0.667 20 0 BBADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000702388204 712049946 /nfs/dbraw/zinc/04/99/46/712049946.db2.gz QXQUEIBNTFBYBU-JTQLQIEISA-N 1 3 230.356 -0.668 20 0 BBADHO CC(C)[N@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000702388204 712049944 /nfs/dbraw/zinc/04/99/44/712049944.db2.gz QXQUEIBNTFBYBU-JTQLQIEISA-N 1 3 230.356 -0.668 20 0 BBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702392680 712050171 /nfs/dbraw/zinc/05/01/71/712050171.db2.gz WHHBLUROXGRNRJ-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702392680 712050169 /nfs/dbraw/zinc/05/01/69/712050169.db2.gz WHHBLUROXGRNRJ-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702392681 712049868 /nfs/dbraw/zinc/04/98/68/712049868.db2.gz WHHBLUROXGRNRJ-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702392681 712049867 /nfs/dbraw/zinc/04/98/67/712049867.db2.gz WHHBLUROXGRNRJ-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO C[C@@H](CCNC(=O)[C@@H](N)CN(C)C)[NH+](C)C ZINC000702399533 712049490 /nfs/dbraw/zinc/04/94/90/712049490.db2.gz AIYOTXAXELKJMR-UWVGGRQHSA-N 1 3 230.356 -0.668 20 0 BBADHO C[C@H](CCNC(=O)[C@@H](N)CN(C)C)[NH+](C)C ZINC000702399535 712049199 /nfs/dbraw/zinc/04/91/99/712049199.db2.gz AIYOTXAXELKJMR-ZJUUUORDSA-N 1 3 230.356 -0.668 20 0 BBADHO C[C@H](CNC(=O)[C@@H](N)CN(C)C)[N@@H+](C)C1CC1 ZINC000702416851 712051342 /nfs/dbraw/zinc/05/13/42/712051342.db2.gz JPMWZYVNJLXFSM-KOLCDFICSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@H](CNC(=O)[C@@H](N)CN(C)C)[N@H+](C)C1CC1 ZINC000702416851 712051341 /nfs/dbraw/zinc/05/13/41/712051341.db2.gz JPMWZYVNJLXFSM-KOLCDFICSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)C)[N@@H+](C)C1CC1 ZINC000702416853 712051331 /nfs/dbraw/zinc/05/13/31/712051331.db2.gz JPMWZYVNJLXFSM-ONGXEEELSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)C)[N@H+](C)C1CC1 ZINC000702416853 712051330 /nfs/dbraw/zinc/05/13/30/712051330.db2.gz JPMWZYVNJLXFSM-ONGXEEELSA-N 1 3 242.367 -0.526 20 0 BBADHO CC[N@@H+](CCNC(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702416900 712051831 /nfs/dbraw/zinc/05/18/31/712051831.db2.gz KSVJSOFBPKBPOG-NSHDSACASA-N 1 3 242.367 -0.524 20 0 BBADHO CC[N@H+](CCNC(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702416900 712051829 /nfs/dbraw/zinc/05/18/29/712051829.db2.gz KSVJSOFBPKBPOG-NSHDSACASA-N 1 3 242.367 -0.524 20 0 BBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000702417266 712051323 /nfs/dbraw/zinc/05/13/23/712051323.db2.gz NTVAXJWUTQBZGT-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000702417266 712051322 /nfs/dbraw/zinc/05/13/22/712051322.db2.gz NTVAXJWUTQBZGT-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000702417267 712051929 /nfs/dbraw/zinc/05/19/29/712051929.db2.gz NTVAXJWUTQBZGT-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000702417267 712051927 /nfs/dbraw/zinc/05/19/27/712051927.db2.gz NTVAXJWUTQBZGT-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO CC[NH+](CC)CCCNC(=O)[C@@H](N)CN(C)C ZINC000702428080 712052532 /nfs/dbraw/zinc/05/25/32/712052532.db2.gz HGZAOXHAKISBOL-NSHDSACASA-N 1 3 244.383 -0.277 20 0 BBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000702429471 712052231 /nfs/dbraw/zinc/05/22/31/712052231.db2.gz KBDHJTDNWIITRJ-MNOVXSKESA-N 1 3 244.383 -0.278 20 0 BBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000702429471 712052229 /nfs/dbraw/zinc/05/22/29/712052229.db2.gz KBDHJTDNWIITRJ-MNOVXSKESA-N 1 3 244.383 -0.278 20 0 BBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000702429472 712052485 /nfs/dbraw/zinc/05/24/85/712052485.db2.gz KBDHJTDNWIITRJ-QWRGUYRKSA-N 1 3 244.383 -0.278 20 0 BBADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000702429472 712052484 /nfs/dbraw/zinc/05/24/84/712052484.db2.gz KBDHJTDNWIITRJ-QWRGUYRKSA-N 1 3 244.383 -0.278 20 0 BBADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](N)CN(C)C ZINC000702432737 712053333 /nfs/dbraw/zinc/05/33/33/712053333.db2.gz XGQLVUGFVBNVIU-NSHDSACASA-N 1 3 244.383 -0.325 20 0 BBADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702433056 712053212 /nfs/dbraw/zinc/05/32/12/712053212.db2.gz YZQNUXODJWBSOO-MNOVXSKESA-N 1 3 244.383 -0.278 20 0 BBADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702433057 712052855 /nfs/dbraw/zinc/05/28/55/712052855.db2.gz YZQNUXODJWBSOO-QWRGUYRKSA-N 1 3 244.383 -0.278 20 0 BBADHO CCCNC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000702589162 712055781 /nfs/dbraw/zinc/05/57/81/712055781.db2.gz ABWYDUANVAXONH-JTQLQIEISA-N 1 3 214.313 -0.423 20 0 BBADHO CCCNC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000702589163 712055906 /nfs/dbraw/zinc/05/59/06/712055906.db2.gz ABWYDUANVAXONH-SNVBAGLBSA-N 1 3 214.313 -0.423 20 0 BBADHO CCNC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000702589164 712055587 /nfs/dbraw/zinc/05/55/87/712055587.db2.gz ACBWBIWOWHZPMX-SECBINFHSA-N 1 3 200.286 -0.813 20 0 BBADHO CCNC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000702589165 712055822 /nfs/dbraw/zinc/05/58/22/712055822.db2.gz ACBWBIWOWHZPMX-VIFPVBQESA-N 1 3 200.286 -0.813 20 0 BBADHO CN1CC[C@@](O)(CNC2=[NH+]CCCN2C)C1 ZINC000702589950 712055674 /nfs/dbraw/zinc/05/56/74/712055674.db2.gz GAKBIHJWPAPTES-LLVKDONJSA-N 1 3 226.324 -0.666 20 0 BBADHO CN1CC[C@](O)(CNC2=[NH+]CCCN2C)C1 ZINC000702589951 712055739 /nfs/dbraw/zinc/05/57/39/712055739.db2.gz GAKBIHJWPAPTES-NSHDSACASA-N 1 3 226.324 -0.666 20 0 BBADHO CC(C)CNC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000702592709 712056401 /nfs/dbraw/zinc/05/64/01/712056401.db2.gz ZCSDZNBPNFYFQJ-LLVKDONJSA-N 1 3 228.340 -0.177 20 0 BBADHO CC(C)CNC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000702592711 712056518 /nfs/dbraw/zinc/05/65/18/712056518.db2.gz ZCSDZNBPNFYFQJ-NSHDSACASA-N 1 3 228.340 -0.177 20 0 BBADHO CS(=O)(=O)N[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702992297 712063412 /nfs/dbraw/zinc/06/34/12/712063412.db2.gz HTRVCQUTVCVTTH-AEJSXWLSSA-N 1 3 247.364 -0.653 20 0 BBADHO CS(=O)(=O)N[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702992303 712063568 /nfs/dbraw/zinc/06/35/68/712063568.db2.gz HTRVCQUTVCVTTH-KXUCPTDWSA-N 1 3 247.364 -0.653 20 0 BBADHO COC1CC(CN(C)C[C@H](O)C[NH3+])C1 ZINC000703390381 712075033 /nfs/dbraw/zinc/07/50/33/712075033.db2.gz OZLRCJAMXWDDHE-HWOCKDDLSA-N 1 3 202.298 -0.337 20 0 BBADHO COC1CC(CN(C)C[C@@H](O)C[NH3+])C1 ZINC000703390383 712075467 /nfs/dbraw/zinc/07/54/67/712075467.db2.gz OZLRCJAMXWDDHE-KYHHOPLUSA-N 1 3 202.298 -0.337 20 0 BBADHO CN1CCC[C@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703568910 712080764 /nfs/dbraw/zinc/08/07/64/712080764.db2.gz KQOSMZUYIJFODD-RTBKNWGFSA-N 1 3 211.309 -0.066 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703568911 712080656 /nfs/dbraw/zinc/08/06/56/712080656.db2.gz KQOSMZUYIJFODD-UDNWOFFPSA-N 1 3 211.309 -0.066 20 0 BBADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)CN(C)C ZINC000705367103 712130880 /nfs/dbraw/zinc/13/08/80/712130880.db2.gz GNCMXHNINOJEPU-NSHDSACASA-N 1 3 244.383 -0.277 20 0 BBADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)CN(C)C ZINC000705367103 712130877 /nfs/dbraw/zinc/13/08/77/712130877.db2.gz GNCMXHNINOJEPU-NSHDSACASA-N 1 3 244.383 -0.277 20 0 BBADHO CN1CC[C@@](O)(CNC2=[NH+]CCCCN2)C1 ZINC000705726504 712135263 /nfs/dbraw/zinc/13/52/63/712135263.db2.gz DBDMQCBQXPAFRZ-LLVKDONJSA-N 1 3 226.324 -0.618 20 0 BBADHO CN1CC[C@](O)(CNC2=[NH+]CCCCN2)C1 ZINC000705726505 712136085 /nfs/dbraw/zinc/13/60/85/712136085.db2.gz DBDMQCBQXPAFRZ-NSHDSACASA-N 1 3 226.324 -0.618 20 0 BBADHO CC(C)NC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000705726529 712136059 /nfs/dbraw/zinc/13/60/59/712136059.db2.gz DHDRIWHOHUPIOC-JTQLQIEISA-N 1 3 214.313 -0.425 20 0 BBADHO CC(C)NC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000705726530 712135819 /nfs/dbraw/zinc/13/58/19/712135819.db2.gz DHDRIWHOHUPIOC-SNVBAGLBSA-N 1 3 214.313 -0.425 20 0 BBADHO C[NH2+]CCOCCN(C)CCN1CCOC1=O ZINC000706638381 712152095 /nfs/dbraw/zinc/15/20/95/712152095.db2.gz VWWXQRAMCREMJG-UHFFFAOYSA-N 1 3 245.323 -0.394 20 0 BBADHO COC(=O)CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000710596286 712264118 /nfs/dbraw/zinc/26/41/18/712264118.db2.gz MNCUGRABXAALBG-UHFFFAOYSA-N 1 3 244.335 -0.062 20 0 BBADHO C[NH+](C)CC1(O)CCN(CCCO)CC1 ZINC000710642660 712264801 /nfs/dbraw/zinc/26/48/01/712264801.db2.gz QAFZESBNIAXPRF-UHFFFAOYSA-N 1 3 216.325 -0.243 20 0 BBADHO C[NH+](C)CC1(O)CCN(CCOCCO)CC1 ZINC000710670695 712265678 /nfs/dbraw/zinc/26/56/78/712265678.db2.gz BOMDKGDMDSKSNG-UHFFFAOYSA-N 1 3 246.351 -0.616 20 0 BBADHO COC(CN1CCC(O)(C[NH+](C)C)CC1)OC ZINC000710672214 712265533 /nfs/dbraw/zinc/26/55/33/712265533.db2.gz PDLVISDEHSQEAS-UHFFFAOYSA-N 1 3 246.351 -0.006 20 0 BBADHO CNC(=O)NC(=O)CN(C)CCCCCC[NH3+] ZINC000710757109 712256507 /nfs/dbraw/zinc/25/65/07/712256507.db2.gz CXCSBULSIBTTLT-UHFFFAOYSA-N 1 3 244.339 -0.107 20 0 BBADHO C[C@@H]1COC[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000710951334 712267165 /nfs/dbraw/zinc/26/71/65/712267165.db2.gz RJZFWECDVGATMR-BBBLOLIVSA-N 1 3 202.298 -0.467 20 0 BBADHO C[C@@H]1COC[C@H]1NC[C@H](O)C[NH+](C)C ZINC000710951337 712267394 /nfs/dbraw/zinc/26/73/94/712267394.db2.gz RJZFWECDVGATMR-KXUCPTDWSA-N 1 3 202.298 -0.467 20 0 BBADHO C[C@@H]1COC[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000710951339 712267056 /nfs/dbraw/zinc/26/70/56/712267056.db2.gz RJZFWECDVGATMR-OPRDCNLKSA-N 1 3 202.298 -0.467 20 0 BBADHO C[C@@H]1COC[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000710951343 711452761 /nfs/dbraw/zinc/45/27/61/711452761.db2.gz RJZFWECDVGATMR-UTLUCORTSA-N 1 3 202.298 -0.467 20 0 BBADHO C[C@@H]1CN(CCn2cnnn2)C[C@H]1C[NH3+] ZINC000711903162 712337512 /nfs/dbraw/zinc/33/75/12/712337512.db2.gz PADIAKIEUCTCTP-RKDXNWHRSA-N 1 3 210.285 -0.800 20 0 BBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCn1cnnn1)C2 ZINC000711903731 712337531 /nfs/dbraw/zinc/33/75/31/712337531.db2.gz QTKNKTDJFTUHAO-AEJSXWLSSA-N 1 3 222.296 -0.515 20 0 BBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCn1cnnn1)C2 ZINC000711903743 712337596 /nfs/dbraw/zinc/33/75/96/712337596.db2.gz QTKNKTDJFTUHAO-GUBZILKMSA-N 1 3 222.296 -0.515 20 0 BBADHO CN1CC[C@@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000712554284 712445016 /nfs/dbraw/zinc/44/50/16/712445016.db2.gz APGCHOWTCHECQD-NEPJUHHUSA-N 1 3 227.352 -0.263 20 0 BBADHO CN1CC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712554284 712445015 /nfs/dbraw/zinc/44/50/15/712445015.db2.gz APGCHOWTCHECQD-NEPJUHHUSA-N 1 3 227.352 -0.263 20 0 BBADHO CN1CC[C@H]1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000712554286 712444846 /nfs/dbraw/zinc/44/48/46/712444846.db2.gz APGCHOWTCHECQD-NWDGAFQWSA-N 1 3 227.352 -0.263 20 0 BBADHO CN1CC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712554286 712444844 /nfs/dbraw/zinc/44/48/44/712444844.db2.gz APGCHOWTCHECQD-NWDGAFQWSA-N 1 3 227.352 -0.263 20 0 BBADHO CN1CC[C@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000712554288 712445119 /nfs/dbraw/zinc/44/51/19/712445119.db2.gz APGCHOWTCHECQD-RYUDHWBXSA-N 1 3 227.352 -0.263 20 0 BBADHO CN1CC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712554288 712445117 /nfs/dbraw/zinc/44/51/17/712445117.db2.gz APGCHOWTCHECQD-RYUDHWBXSA-N 1 3 227.352 -0.263 20 0 BBADHO CN1CC[C@@H]1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000712554289 712444920 /nfs/dbraw/zinc/44/49/20/712444920.db2.gz APGCHOWTCHECQD-VXGBXAGGSA-N 1 3 227.352 -0.263 20 0 BBADHO CN1CC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712554289 712444919 /nfs/dbraw/zinc/44/49/19/712444919.db2.gz APGCHOWTCHECQD-VXGBXAGGSA-N 1 3 227.352 -0.263 20 0 BBADHO CN1CC[C@@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000712554363 712444900 /nfs/dbraw/zinc/44/49/00/712444900.db2.gz BMUAWMQHMQUTHU-NEPJUHHUSA-N 1 3 227.352 -0.265 20 0 BBADHO CN1CC[C@@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000712554363 712444899 /nfs/dbraw/zinc/44/48/99/712444899.db2.gz BMUAWMQHMQUTHU-NEPJUHHUSA-N 1 3 227.352 -0.265 20 0 BBADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CCN1C)C1CC1 ZINC000712554363 712444897 /nfs/dbraw/zinc/44/48/97/712444897.db2.gz BMUAWMQHMQUTHU-NEPJUHHUSA-N 1 3 227.352 -0.265 20 0 BBADHO CN1CC[C@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712554369 712444870 /nfs/dbraw/zinc/44/48/70/712444870.db2.gz BMUAWMQHMQUTHU-NWDGAFQWSA-N 1 3 227.352 -0.265 20 0 BBADHO CN1CC[C@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000712554369 712444869 /nfs/dbraw/zinc/44/48/69/712444869.db2.gz BMUAWMQHMQUTHU-NWDGAFQWSA-N 1 3 227.352 -0.265 20 0 BBADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCN1C)C1CC1 ZINC000712554369 712444868 /nfs/dbraw/zinc/44/48/68/712444868.db2.gz BMUAWMQHMQUTHU-NWDGAFQWSA-N 1 3 227.352 -0.265 20 0 BBADHO CN1CC[C@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000712554371 712445187 /nfs/dbraw/zinc/44/51/87/712445187.db2.gz BMUAWMQHMQUTHU-RYUDHWBXSA-N 1 3 227.352 -0.265 20 0 BBADHO CN1CC[C@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000712554371 712445186 /nfs/dbraw/zinc/44/51/86/712445186.db2.gz BMUAWMQHMQUTHU-RYUDHWBXSA-N 1 3 227.352 -0.265 20 0 BBADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCN1C)C1CC1 ZINC000712554371 712445185 /nfs/dbraw/zinc/44/51/85/712445185.db2.gz BMUAWMQHMQUTHU-RYUDHWBXSA-N 1 3 227.352 -0.265 20 0 BBADHO CN1CC[C@@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712554372 712444822 /nfs/dbraw/zinc/44/48/22/712444822.db2.gz BMUAWMQHMQUTHU-VXGBXAGGSA-N 1 3 227.352 -0.265 20 0 BBADHO CN1CC[C@@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000712554372 712444821 /nfs/dbraw/zinc/44/48/21/712444821.db2.gz BMUAWMQHMQUTHU-VXGBXAGGSA-N 1 3 227.352 -0.265 20 0 BBADHO CN(C[C@H](O)C[NH2+]C[C@H]1CCN1C)C1CC1 ZINC000712554372 712444819 /nfs/dbraw/zinc/44/48/19/712444819.db2.gz BMUAWMQHMQUTHU-VXGBXAGGSA-N 1 3 227.352 -0.265 20 0 BBADHO CC1(C)CCNCC[N@H+]1CCC(=O)NC(N)=O ZINC000712558253 712445658 /nfs/dbraw/zinc/44/56/58/712445658.db2.gz NSGWMKOGHPRJCI-UHFFFAOYSA-N 1 3 242.323 -0.355 20 0 BBADHO CC1(C)CCNCC[N@@H+]1CCC(=O)NC(N)=O ZINC000712558253 712445655 /nfs/dbraw/zinc/44/56/55/712445655.db2.gz NSGWMKOGHPRJCI-UHFFFAOYSA-N 1 3 242.323 -0.355 20 0 BBADHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3cnnn3)C[C@@H]21 ZINC000712575222 712448326 /nfs/dbraw/zinc/44/83/26/712448326.db2.gz GWXWZVJWVYSETC-GARJFASQSA-N 1 3 236.323 -0.268 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3cnnn3)C[C@H]21 ZINC000712575226 712448209 /nfs/dbraw/zinc/44/82/09/712448209.db2.gz GWXWZVJWVYSETC-GMTAPVOTSA-N 1 3 236.323 -0.268 20 0 BBADHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3cnnn3)C[C@H]21 ZINC000712575229 712448237 /nfs/dbraw/zinc/44/82/37/712448237.db2.gz GWXWZVJWVYSETC-HBNTYKKESA-N 1 3 236.323 -0.268 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3cnnn3)C[C@@H]21 ZINC000712575233 712448329 /nfs/dbraw/zinc/44/83/29/712448329.db2.gz GWXWZVJWVYSETC-OUAUKWLOSA-N 1 3 236.323 -0.268 20 0 BBADHO C[C@@H]1C[C@@H](C)N(CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712575301 712448148 /nfs/dbraw/zinc/44/81/48/712448148.db2.gz HVXFFIVYHYXJBM-GMTAPVOTSA-N 1 3 238.339 -0.022 20 0 BBADHO C[C@@H]1C[C@@H](C)N(CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712575304 712448374 /nfs/dbraw/zinc/44/83/74/712448374.db2.gz HVXFFIVYHYXJBM-MXWKQRLJSA-N 1 3 238.339 -0.022 20 0 BBADHO C[C@@H]1C[C@H](C)N(CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712575307 712448166 /nfs/dbraw/zinc/44/81/66/712448166.db2.gz HVXFFIVYHYXJBM-OUAUKWLOSA-N 1 3 238.339 -0.022 20 0 BBADHO C[C@@H]1C[C@H](C)N(CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712575310 712448115 /nfs/dbraw/zinc/44/81/15/712448115.db2.gz HVXFFIVYHYXJBM-VWYCJHECSA-N 1 3 238.339 -0.022 20 0 BBADHO C[C@@H]([NH3+])CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000715122641 712511081 /nfs/dbraw/zinc/51/10/81/712511081.db2.gz HVLHFQPAGFFKLX-OUAUKWLOSA-N 1 3 241.335 -0.297 20 0 BBADHO C[C@@H]([NH3+])CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000715122642 712510976 /nfs/dbraw/zinc/51/09/76/712510976.db2.gz HVLHFQPAGFFKLX-VWYCJHECSA-N 1 3 241.335 -0.297 20 0 BBADHO C[N@H+]1CC[C@@](O)(CNC[C@H]2COC(C)(C)O2)C1 ZINC000715150400 712512589 /nfs/dbraw/zinc/51/25/89/712512589.db2.gz FKWKBDGKVKFCND-CMPLNLGQSA-N 1 3 244.335 -0.206 20 0 BBADHO C[N@@H+]1CC[C@@](O)(CNC[C@H]2COC(C)(C)O2)C1 ZINC000715150400 712512588 /nfs/dbraw/zinc/51/25/88/712512588.db2.gz FKWKBDGKVKFCND-CMPLNLGQSA-N 1 3 244.335 -0.206 20 0 BBADHO C[N@H+]1CC[C@](O)(CNC[C@H]2COC(C)(C)O2)C1 ZINC000715150402 712512435 /nfs/dbraw/zinc/51/24/35/712512435.db2.gz FKWKBDGKVKFCND-JQWIXIFHSA-N 1 3 244.335 -0.206 20 0 BBADHO C[N@@H+]1CC[C@](O)(CNC[C@H]2COC(C)(C)O2)C1 ZINC000715150402 712512432 /nfs/dbraw/zinc/51/24/32/712512432.db2.gz FKWKBDGKVKFCND-JQWIXIFHSA-N 1 3 244.335 -0.206 20 0 BBADHO CN(C)C[C@@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000716683279 712570085 /nfs/dbraw/zinc/57/00/85/712570085.db2.gz KSGGJLGZTYODEN-JTQLQIEISA-N 1 3 245.367 -0.197 20 0 BBADHO CN(C)C[C@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000716683280 712570004 /nfs/dbraw/zinc/57/00/04/712570004.db2.gz KSGGJLGZTYODEN-SNVBAGLBSA-N 1 3 245.367 -0.197 20 0 BBADHO CN(C)C[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000716786328 712573424 /nfs/dbraw/zinc/57/34/24/712573424.db2.gz PFXCYLJGMKHZLM-JTQLQIEISA-N 1 3 241.335 -0.879 20 0 BBADHO CN(C)C[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000716786330 712573453 /nfs/dbraw/zinc/57/34/53/712573453.db2.gz PFXCYLJGMKHZLM-SNVBAGLBSA-N 1 3 241.335 -0.879 20 0 BBADHO C[NH+](C)C[C@H](O)CN[C@@H]1CCCNC(=O)C1 ZINC000717358857 712650689 /nfs/dbraw/zinc/65/06/89/712650689.db2.gz JFTYJHQDRGHPSZ-NXEZZACHSA-N 1 3 229.324 -0.833 20 0 BBADHO C[NH+](C)C[C@@H](O)CN[C@H]1CCCNC(=O)C1 ZINC000717358858 712650809 /nfs/dbraw/zinc/65/08/09/712650809.db2.gz JFTYJHQDRGHPSZ-UWVGGRQHSA-N 1 3 229.324 -0.833 20 0 BBADHO C[NH+](C)C[C@H](O)CN[C@H]1CCCNC(=O)C1 ZINC000717358859 712650796 /nfs/dbraw/zinc/65/07/96/712650796.db2.gz JFTYJHQDRGHPSZ-VHSXEESVSA-N 1 3 229.324 -0.833 20 0 BBADHO C[NH+](C)C[C@@H](O)CN[C@@H]1CCCNC(=O)C1 ZINC000717358860 712650773 /nfs/dbraw/zinc/65/07/73/712650773.db2.gz JFTYJHQDRGHPSZ-ZJUUUORDSA-N 1 3 229.324 -0.833 20 0 BBADHO CN(CC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719249188 712801318 /nfs/dbraw/zinc/80/13/18/712801318.db2.gz QTSMIKMBYSVNRK-PBINXNQUSA-N 1 3 211.309 -0.066 20 0 BBADHO COC[C@H](O)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000720804375 712867170 /nfs/dbraw/zinc/86/71/70/712867170.db2.gz KIEMHVHCJFPBHT-BDAKNGLRSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@H](O)C[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000720804375 712867169 /nfs/dbraw/zinc/86/71/69/712867169.db2.gz KIEMHVHCJFPBHT-BDAKNGLRSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@@H](O)C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000720804377 712867265 /nfs/dbraw/zinc/86/72/65/712867265.db2.gz KIEMHVHCJFPBHT-DTWKUNHWSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@@H](O)C[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000720804377 712867262 /nfs/dbraw/zinc/86/72/62/712867262.db2.gz KIEMHVHCJFPBHT-DTWKUNHWSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@@H](O)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000720804378 712867202 /nfs/dbraw/zinc/86/72/02/712867202.db2.gz KIEMHVHCJFPBHT-IUCAKERBSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@@H](O)C[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000720804378 712867200 /nfs/dbraw/zinc/86/72/00/712867200.db2.gz KIEMHVHCJFPBHT-IUCAKERBSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@H](O)C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000720804380 712867216 /nfs/dbraw/zinc/86/72/16/712867216.db2.gz KIEMHVHCJFPBHT-RKDXNWHRSA-N 1 3 202.298 -0.337 20 0 BBADHO COC[C@H](O)C[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000720804380 712867213 /nfs/dbraw/zinc/86/72/13/712867213.db2.gz KIEMHVHCJFPBHT-RKDXNWHRSA-N 1 3 202.298 -0.337 20 0 BBADHO C[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720887765 712874503 /nfs/dbraw/zinc/87/45/03/712874503.db2.gz ITSRXIVZJZEMTQ-NXEZZACHSA-N 1 3 211.309 -0.099 20 0 BBADHO C[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720887766 712874555 /nfs/dbraw/zinc/87/45/55/712874555.db2.gz ITSRXIVZJZEMTQ-UWVGGRQHSA-N 1 3 211.309 -0.099 20 0 BBADHO C[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720887769 712874587 /nfs/dbraw/zinc/87/45/87/712874587.db2.gz ITSRXIVZJZEMTQ-VHSXEESVSA-N 1 3 211.309 -0.099 20 0 BBADHO C[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720887770 712874190 /nfs/dbraw/zinc/87/41/90/712874190.db2.gz ITSRXIVZJZEMTQ-ZJUUUORDSA-N 1 3 211.309 -0.099 20 0 BBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)COCC[NH3+] ZINC000720908731 712877565 /nfs/dbraw/zinc/87/75/65/712877565.db2.gz UFZXNVYOJMJHDP-GHMZBOCLSA-N 1 3 241.335 -0.343 20 0 BBADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)COCC[NH3+] ZINC000720908736 712877252 /nfs/dbraw/zinc/87/72/52/712877252.db2.gz UFZXNVYOJMJHDP-MNOVXSKESA-N 1 3 241.335 -0.343 20 0 BBADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)COCC[NH3+] ZINC000720908741 712877340 /nfs/dbraw/zinc/87/73/40/712877340.db2.gz UFZXNVYOJMJHDP-QWRGUYRKSA-N 1 3 241.335 -0.343 20 0 BBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)COCC[NH3+] ZINC000720908746 712877093 /nfs/dbraw/zinc/87/70/93/712877093.db2.gz UFZXNVYOJMJHDP-WDEREUQCSA-N 1 3 241.335 -0.343 20 0 BBADHO O[C@H](CNC[C@@H]1C[C@@H](O)C1)C[NH+]1CCCC1 ZINC000720916361 712878392 /nfs/dbraw/zinc/87/83/92/712878392.db2.gz SYDOGPNVHNLUSA-IJLUTSLNSA-N 1 3 228.336 -0.196 20 0 BBADHO O[C@@H](CNC[C@@H]1C[C@@H](O)C1)C[NH+]1CCCC1 ZINC000720916362 712878568 /nfs/dbraw/zinc/87/85/68/712878568.db2.gz SYDOGPNVHNLUSA-SRVKXCTJSA-N 1 3 228.336 -0.196 20 0 BBADHO CNC(=O)CCN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038915 712887856 /nfs/dbraw/zinc/88/78/56/712887856.db2.gz VRRZUSNYYPCLLC-ZJUUUORDSA-N 1 3 213.325 -0.090 20 0 BBADHO CN1CC[C@@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000721349958 711803006 /nfs/dbraw/zinc/80/30/06/711803006.db2.gz OATNJCJORMLXIH-SECBINFHSA-N 1 3 237.307 -0.102 20 0 BBADHO CN1CC[C@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000721349959 711803080 /nfs/dbraw/zinc/80/30/80/711803080.db2.gz OATNJCJORMLXIH-VIFPVBQESA-N 1 3 237.307 -0.102 20 0 BBADHO [NH3+]C1CCC(NS(=O)(=O)C2CNC2)CC1 ZINC000722230011 711728718 /nfs/dbraw/zinc/72/87/18/711728718.db2.gz FERBTYPGBDIXHF-UHFFFAOYSA-N 1 3 233.337 -0.853 20 0 BBADHO Cn1nncc1CN1CC[C@@H](CC[NH3+])C1 ZINC000723680158 711534104 /nfs/dbraw/zinc/53/41/04/711534104.db2.gz PWQABQHUHQIOSQ-SECBINFHSA-N 1 3 209.297 -0.014 20 0 BBADHO Cn1nncc1CN1CC[C@H](CC[NH3+])C1 ZINC000723680159 711533934 /nfs/dbraw/zinc/53/39/34/711533934.db2.gz PWQABQHUHQIOSQ-VIFPVBQESA-N 1 3 209.297 -0.014 20 0 BBADHO CNC(=O)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000723711843 711535641 /nfs/dbraw/zinc/53/56/41/711535641.db2.gz JLENCVQZKRTZKJ-MRVPVSSYSA-N 1 3 228.296 -0.887 20 0 BBADHO CNC(=O)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000723711846 711536032 /nfs/dbraw/zinc/53/60/32/711536032.db2.gz JLENCVQZKRTZKJ-QMMMGPOBSA-N 1 3 228.296 -0.887 20 0 BBADHO CCNC(=O)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000723711987 711535746 /nfs/dbraw/zinc/53/57/46/711535746.db2.gz CTBYZBWOSVRXIN-SECBINFHSA-N 1 3 242.323 -0.497 20 0 BBADHO CCNC(=O)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000723711988 711535939 /nfs/dbraw/zinc/53/59/39/711535939.db2.gz CTBYZBWOSVRXIN-VIFPVBQESA-N 1 3 242.323 -0.497 20 0 BBADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893022 711543870 /nfs/dbraw/zinc/54/38/70/711543870.db2.gz VSIVSKUOTOYXCJ-RKDXNWHRSA-N 1 3 242.323 -0.641 20 0 BBADHO CCN(C)C[C@H](O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000724880613 711623011 /nfs/dbraw/zinc/62/30/11/711623011.db2.gz SLULKOUVFNMLNC-IJLUTSLNSA-N 1 3 246.351 -0.308 20 0 BBADHO CCN(C)C[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000724880614 711623001 /nfs/dbraw/zinc/62/30/01/711623001.db2.gz SLULKOUVFNMLNC-QJPTWQEYSA-N 1 3 246.351 -0.308 20 0 BBADHO CN(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC000748813968 583551538 /nfs/dbraw/zinc/55/15/38/583551538.db2.gz XIIUASLYPCAYIA-UHFFFAOYSA-N 1 3 243.351 -0.632 20 0 BBADHO CN1CCC(C(=O)OCCC[NH+](C)C)C1=O ZINC000792152748 585996679 /nfs/dbraw/zinc/99/66/79/585996679.db2.gz WFJYCILFCFISDK-SECBINFHSA-N 1 3 228.292 -0.040 20 0 BBADHO CN1CCC(C(=O)OCCC[NH+](C)C)C1=O ZINC000792152749 585996596 /nfs/dbraw/zinc/99/65/96/585996596.db2.gz WFJYCILFCFISDK-VIFPVBQESA-N 1 3 228.292 -0.040 20 0 BBADHO C[C@@H](C[NH+](C)C)NC(=S)NCCN(C)C ZINC000806590265 586415291 /nfs/dbraw/zinc/41/52/91/586415291.db2.gz CJIHXXZDSVKMQC-VIFPVBQESA-N 1 3 232.397 -0.038 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818230773 586879223 /nfs/dbraw/zinc/87/92/23/586879223.db2.gz MRZBCEOGZRQSFK-IQJOONFLSA-N 1 3 209.293 -0.312 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818230780 586879196 /nfs/dbraw/zinc/87/91/96/586879196.db2.gz MRZBCEOGZRQSFK-NGZCFLSTSA-N 1 3 209.293 -0.312 20 0 BBADHO CCNCC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000818591020 586904104 /nfs/dbraw/zinc/90/41/04/586904104.db2.gz JKCGFTXRMNKMKU-UHFFFAOYSA-N 1 3 243.351 -0.272 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000818603758 586905627 /nfs/dbraw/zinc/90/56/27/586905627.db2.gz MHKKQOHMCJIVFK-DJLDLDEBSA-N 1 3 209.293 -0.408 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000818603759 586905418 /nfs/dbraw/zinc/90/54/18/586905418.db2.gz MHKKQOHMCJIVFK-YIZRAAEISA-N 1 3 209.293 -0.408 20 0 BBADHO CCNCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000818605171 586905051 /nfs/dbraw/zinc/90/50/51/586905051.db2.gz UCIBQUSGXDMNOU-VHSXEESVSA-N 1 3 211.309 -0.194 20 0 BBADHO NC1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000818610897 712590183 /nfs/dbraw/zinc/59/01/83/712590183.db2.gz BQBRTFPTIDRJNY-JTQLQIEISA-N 1 3 209.293 -0.168 20 0 BBADHO NC1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000818610898 712590164 /nfs/dbraw/zinc/59/01/64/712590164.db2.gz BQBRTFPTIDRJNY-SNVBAGLBSA-N 1 3 209.293 -0.168 20 0 BBADHO [NH3+]Cc1cccc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000818610959 712590258 /nfs/dbraw/zinc/59/02/58/712590258.db2.gz FGHMDLXUTKANFC-GFCCVEGCSA-N 1 3 249.314 -0.137 20 0 BBADHO [NH3+]Cc1cccc(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000818610960 712590243 /nfs/dbraw/zinc/59/02/43/712590243.db2.gz FGHMDLXUTKANFC-LBPRGKRZSA-N 1 3 249.314 -0.137 20 0 BBADHO CCNCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612396 586906751 /nfs/dbraw/zinc/90/67/51/586906751.db2.gz PZLNKKVISFNCSZ-LLVKDONJSA-N 1 3 211.309 -0.050 20 0 BBADHO CCNCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612399 586906322 /nfs/dbraw/zinc/90/63/22/586906322.db2.gz PZLNKKVISFNCSZ-NSHDSACASA-N 1 3 211.309 -0.050 20 0 BBADHO CCNCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000818613948 586906340 /nfs/dbraw/zinc/90/63/40/586906340.db2.gz KGZVHAJLNOWQTD-LURJTMIESA-N 1 3 227.230 -0.008 20 0 BBADHO CCNCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000818613949 586906494 /nfs/dbraw/zinc/90/64/94/586906494.db2.gz KGZVHAJLNOWQTD-ZCFIWIBFSA-N 1 3 227.230 -0.008 20 0 BBADHO CN(C)CCOCC[NH2+]C[C@@H](O)C1CC1 ZINC000819210221 586939658 /nfs/dbraw/zinc/93/96/58/586939658.db2.gz ABAJSAVZHCVOEU-LLVKDONJSA-N 1 3 216.325 -0.075 20 0 BBADHO CN(C)CCOCC[NH2+]C[C@H](O)C1CC1 ZINC000819210222 586939508 /nfs/dbraw/zinc/93/95/08/586939508.db2.gz ABAJSAVZHCVOEU-NSHDSACASA-N 1 3 216.325 -0.075 20 0 BBADHO CON(C)C(=O)CC[NH2+]CCOCCN(C)C ZINC000819210524 586939490 /nfs/dbraw/zinc/93/94/90/586939490.db2.gz GOJIZMYKYAFZHL-UHFFFAOYSA-N 1 3 247.339 -0.436 20 0 BBADHO C[NH+](C)CCO[N-]C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823254804 587211277 /nfs/dbraw/zinc/21/12/77/587211277.db2.gz DJUCQJSLCZSOFK-JTQLQIEISA-N 1 3 229.324 -0.062 20 0 BBADHO C[NH+](C)CCO[N-]C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000823254804 587211275 /nfs/dbraw/zinc/21/12/75/587211275.db2.gz DJUCQJSLCZSOFK-JTQLQIEISA-N 1 3 229.324 -0.062 20 0 BBADHO C[NH+](C)CCO[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823254805 587211513 /nfs/dbraw/zinc/21/15/13/587211513.db2.gz DJUCQJSLCZSOFK-SNVBAGLBSA-N 1 3 229.324 -0.062 20 0 BBADHO C[NH+](C)CCO[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823254805 587211512 /nfs/dbraw/zinc/21/15/12/587211512.db2.gz DJUCQJSLCZSOFK-SNVBAGLBSA-N 1 3 229.324 -0.062 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000827485596 587382880 /nfs/dbraw/zinc/38/28/80/587382880.db2.gz UQNXMQXFLCBGNO-GXSJLCMTSA-N 1 3 229.299 -0.244 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000827485596 587382878 /nfs/dbraw/zinc/38/28/78/587382878.db2.gz UQNXMQXFLCBGNO-GXSJLCMTSA-N 1 3 229.299 -0.244 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000827485597 587382861 /nfs/dbraw/zinc/38/28/61/587382861.db2.gz UQNXMQXFLCBGNO-KOLCDFICSA-N 1 3 229.299 -0.244 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000827485597 587382859 /nfs/dbraw/zinc/38/28/59/587382859.db2.gz UQNXMQXFLCBGNO-KOLCDFICSA-N 1 3 229.299 -0.244 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000827485598 587382736 /nfs/dbraw/zinc/38/27/36/587382736.db2.gz UQNXMQXFLCBGNO-MWLCHTKSSA-N 1 3 229.299 -0.244 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000827485598 587382735 /nfs/dbraw/zinc/38/27/35/587382735.db2.gz UQNXMQXFLCBGNO-MWLCHTKSSA-N 1 3 229.299 -0.244 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000827485599 587383019 /nfs/dbraw/zinc/38/30/19/587383019.db2.gz UQNXMQXFLCBGNO-ONGXEEELSA-N 1 3 229.299 -0.244 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000827485599 587383017 /nfs/dbraw/zinc/38/30/17/587383017.db2.gz UQNXMQXFLCBGNO-ONGXEEELSA-N 1 3 229.299 -0.244 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000827701902 587397337 /nfs/dbraw/zinc/39/73/37/587397337.db2.gz SETAOCXXBDALHP-GXSJLCMTSA-N 1 3 229.299 -0.102 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000827701903 587397361 /nfs/dbraw/zinc/39/73/61/587397361.db2.gz SETAOCXXBDALHP-KOLCDFICSA-N 1 3 229.299 -0.102 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000827701904 587397240 /nfs/dbraw/zinc/39/72/40/587397240.db2.gz SETAOCXXBDALHP-MWLCHTKSSA-N 1 3 229.299 -0.102 20 0 BBADHO CN1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000827701905 587397256 /nfs/dbraw/zinc/39/72/56/587397256.db2.gz SETAOCXXBDALHP-ONGXEEELSA-N 1 3 229.299 -0.102 20 0 BBADHO CN(C)CCn1cc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cn1 ZINC000827924388 587410142 /nfs/dbraw/zinc/41/01/42/587410142.db2.gz DCMJDDSZLANZPW-ZJUUUORDSA-N 1 3 237.307 -0.270 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000827936123 587411212 /nfs/dbraw/zinc/41/12/12/587411212.db2.gz DZFOGEVLRJSDAT-CHWFTXMASA-N 1 3 239.319 -0.687 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000827936124 587410888 /nfs/dbraw/zinc/41/08/88/587410888.db2.gz DZFOGEVLRJSDAT-VPOLOUISSA-N 1 3 239.319 -0.687 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000827936125 587411062 /nfs/dbraw/zinc/41/10/62/587411062.db2.gz DZFOGEVLRJSDAT-XWLWVQCSSA-N 1 3 239.319 -0.687 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000827936126 587410983 /nfs/dbraw/zinc/41/09/83/587410983.db2.gz DZFOGEVLRJSDAT-ZRUFSTJUSA-N 1 3 239.319 -0.687 20 0 BBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@H]1CC[NH2+]1 ZINC000827936269 587411416 /nfs/dbraw/zinc/41/14/16/587411416.db2.gz IEKWCTZKIVAVCX-GARJFASQSA-N 1 3 239.319 -0.672 20 0 BBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[NH2+]1 ZINC000827936271 587411369 /nfs/dbraw/zinc/41/13/69/587411369.db2.gz IEKWCTZKIVAVCX-OUAUKWLOSA-N 1 3 239.319 -0.672 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000828993935 587478020 /nfs/dbraw/zinc/47/80/20/587478020.db2.gz VNYJRVNKOYADJL-GARJFASQSA-N 1 3 223.320 -0.066 20 0 BBADHO [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000828993936 587478048 /nfs/dbraw/zinc/47/80/48/587478048.db2.gz VNYJRVNKOYADJL-OUAUKWLOSA-N 1 3 223.320 -0.066 20 0 BBADHO CN(CCO)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000829749240 587513590 /nfs/dbraw/zinc/51/35/90/587513590.db2.gz GBIJCZWYSWFRAI-UHFFFAOYSA-N 1 3 245.367 -0.195 20 0 BBADHO CC1C(=O)N(C)S(=O)(=O)N1C[C@@H]1CC[NH2+]C1 ZINC000830391152 587548654 /nfs/dbraw/zinc/54/86/54/587548654.db2.gz BPUQDTUHPUNGGM-HTQZYQBOSA-N 1 3 247.320 -0.997 20 0 BBADHO CC1C(=O)N(C)S(=O)(=O)N1C[C@@H]1CC[NH2+]C1 ZINC000830391154 587548972 /nfs/dbraw/zinc/54/89/72/587548972.db2.gz BPUQDTUHPUNGGM-JGVFFNPUSA-N 1 3 247.320 -0.997 20 0 BBADHO CC1C(=O)N(C)S(=O)(=O)N1C[C@H]1CC[NH2+]C1 ZINC000830391156 587548853 /nfs/dbraw/zinc/54/88/53/587548853.db2.gz BPUQDTUHPUNGGM-SFYZADRCSA-N 1 3 247.320 -0.997 20 0 BBADHO CC1C(=O)N(C)S(=O)(=O)N1C[C@H]1CC[NH2+]C1 ZINC000830391158 587548701 /nfs/dbraw/zinc/54/87/01/587548701.db2.gz BPUQDTUHPUNGGM-YUMQZZPRSA-N 1 3 247.320 -0.997 20 0 BBADHO C[NH2+]CCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000830391600 584908403 /nfs/dbraw/zinc/90/84/03/584908403.db2.gz HZZHTQNWHCTZRL-SSDOTTSWSA-N 1 3 235.309 -0.997 20 0 BBADHO C[NH2+]CCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000830391603 584908391 /nfs/dbraw/zinc/90/83/91/584908391.db2.gz HZZHTQNWHCTZRL-ZETCQYMHSA-N 1 3 235.309 -0.997 20 0 BBADHO COC1CCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000831088760 587585806 /nfs/dbraw/zinc/58/58/06/587585806.db2.gz MBVKPUSTFBFACQ-MNOVXSKESA-N 1 3 241.335 -0.439 20 0 BBADHO [NH3+]C1(CNC(=O)c2[nH]nc3c2CNCC3)CCC1 ZINC000831546337 587618395 /nfs/dbraw/zinc/61/83/95/587618395.db2.gz VAHRCPFIHGWHBA-UHFFFAOYSA-N 1 3 249.318 -0.333 20 0 BBADHO O=C(N1CC[C@@]2(CC[NH2+]C2)C1)[C@]1(F)CCNC1 ZINC000831578990 587619978 /nfs/dbraw/zinc/61/99/78/587619978.db2.gz XDMWBIDTIVWDMD-NEPJUHHUSA-N 1 3 241.310 -0.100 20 0 BBADHO O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@@]1(F)CCNC1 ZINC000831578991 587620220 /nfs/dbraw/zinc/62/02/20/587620220.db2.gz XDMWBIDTIVWDMD-NWDGAFQWSA-N 1 3 241.310 -0.100 20 0 BBADHO O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@]1(F)CCNC1 ZINC000831578992 587620094 /nfs/dbraw/zinc/62/00/94/587620094.db2.gz XDMWBIDTIVWDMD-RYUDHWBXSA-N 1 3 241.310 -0.100 20 0 BBADHO O=C(N1CC[C@@]2(CC[NH2+]C2)C1)[C@@]1(F)CCNC1 ZINC000831578993 587620381 /nfs/dbraw/zinc/62/03/81/587620381.db2.gz XDMWBIDTIVWDMD-VXGBXAGGSA-N 1 3 241.310 -0.100 20 0 BBADHO CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCN1 ZINC000831598819 587622469 /nfs/dbraw/zinc/62/24/69/587622469.db2.gz FGQKLPYPPNJAPX-KXUCPTDWSA-N 1 3 211.309 -0.210 20 0 BBADHO O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@]1(F)CCNC1 ZINC000831701239 587627910 /nfs/dbraw/zinc/62/79/10/587627910.db2.gz ZKMRWTZIHVGQOF-JBLDHEPKSA-N 1 3 241.310 -0.102 20 0 BBADHO O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@]1(F)CCNC1 ZINC000831701241 587627979 /nfs/dbraw/zinc/62/79/79/587627979.db2.gz ZKMRWTZIHVGQOF-JFGNBEQYSA-N 1 3 241.310 -0.102 20 0 BBADHO O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@]1(F)CCNC1 ZINC000831701243 587628037 /nfs/dbraw/zinc/62/80/37/587628037.db2.gz ZKMRWTZIHVGQOF-NHCYSSNCSA-N 1 3 241.310 -0.102 20 0 BBADHO O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@]1(F)CCNC1 ZINC000831701245 587627864 /nfs/dbraw/zinc/62/78/64/587627864.db2.gz ZKMRWTZIHVGQOF-SCVCMEIPSA-N 1 3 241.310 -0.102 20 0 BBADHO C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)N(C)C ZINC000831870885 587635364 /nfs/dbraw/zinc/63/53/64/587635364.db2.gz KLSPHXJXPCIHEM-PSASIEDQSA-N 1 3 217.288 -0.246 20 0 BBADHO C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)N(C)C ZINC000831870886 587635061 /nfs/dbraw/zinc/63/50/61/587635061.db2.gz KLSPHXJXPCIHEM-SCZZXKLOSA-N 1 3 217.288 -0.246 20 0 BBADHO C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)N(C)C ZINC000831870887 587635301 /nfs/dbraw/zinc/63/53/01/587635301.db2.gz KLSPHXJXPCIHEM-WCBMZHEXSA-N 1 3 217.288 -0.246 20 0 BBADHO C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)N(C)C ZINC000831870888 587635148 /nfs/dbraw/zinc/63/51/48/587635148.db2.gz KLSPHXJXPCIHEM-WPRPVWTQSA-N 1 3 217.288 -0.246 20 0 BBADHO C[C@H]1CCCN1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000831970357 587640748 /nfs/dbraw/zinc/64/07/48/587640748.db2.gz FCDINWBYSFIEOK-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H]1CCCN1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000831970358 587640544 /nfs/dbraw/zinc/64/05/44/587640544.db2.gz FCDINWBYSFIEOK-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H]1CCCN1CCNC(=O)COCC[NH3+] ZINC000831970846 587640255 /nfs/dbraw/zinc/64/02/55/587640255.db2.gz NHQJNDXNMWXMHG-JTQLQIEISA-N 1 3 229.324 -0.438 20 0 BBADHO C[C@@H]1CCCN1CCNC(=O)COCC[NH3+] ZINC000831970849 587640622 /nfs/dbraw/zinc/64/06/22/587640622.db2.gz NHQJNDXNMWXMHG-SNVBAGLBSA-N 1 3 229.324 -0.438 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NCCN1CCC[C@H]1C ZINC000831970943 587640914 /nfs/dbraw/zinc/64/09/14/587640914.db2.gz OONZKNJWQKTVSB-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NCCN1CCC[C@H]1C ZINC000831970944 587640329 /nfs/dbraw/zinc/64/03/29/587640329.db2.gz OONZKNJWQKTVSB-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)NCCN1CCC[C@@H]1C ZINC000831970945 587640421 /nfs/dbraw/zinc/64/04/21/587640421.db2.gz OONZKNJWQKTVSB-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)NCCN1CCC[C@@H]1C ZINC000831970946 587640369 /nfs/dbraw/zinc/64/03/69/587640369.db2.gz OONZKNJWQKTVSB-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@@H]1CCCN1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000831971272 587640966 /nfs/dbraw/zinc/64/09/66/587640966.db2.gz UULNEJRFOVIFTO-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO C[C@H]1CCCN1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000831971274 587640534 /nfs/dbraw/zinc/64/05/34/587640534.db2.gz UULNEJRFOVIFTO-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO C[NH+](C)CCOCCNC(=O)[C@@]1(F)CCNC1 ZINC000831998689 587642305 /nfs/dbraw/zinc/64/23/05/587642305.db2.gz QCPPKZFUERAGFY-LLVKDONJSA-N 1 3 247.314 -0.618 20 0 BBADHO C[NH+](C)CCOCCNC(=O)[C@]1(F)CCNC1 ZINC000831998690 587642205 /nfs/dbraw/zinc/64/22/05/587642205.db2.gz QCPPKZFUERAGFY-NSHDSACASA-N 1 3 247.314 -0.618 20 0 BBADHO O=C(NC1CC[NH2+]CC1)c1[nH]nc2c1CNCC2 ZINC000832213305 587650526 /nfs/dbraw/zinc/65/05/26/587650526.db2.gz UCBLSQOVNTZXJB-UHFFFAOYSA-N 1 3 249.318 -0.463 20 0 BBADHO [NH3+]CCCNC(=O)c1[nH]nc2c1CNCC2 ZINC000832231895 587651805 /nfs/dbraw/zinc/65/18/05/587651805.db2.gz OORLSWOSSCFRMG-UHFFFAOYSA-N 1 3 223.280 -0.866 20 0 BBADHO O=C(NCC1CC[NH2+]CC1)[C@@]1(F)CCNC1 ZINC000832363635 587656239 /nfs/dbraw/zinc/65/62/39/587656239.db2.gz WCQYPVZKUVJSRE-LLVKDONJSA-N 1 3 229.299 -0.196 20 0 BBADHO O=C(NCC1CC[NH2+]CC1)[C@]1(F)CCNC1 ZINC000832363636 587656480 /nfs/dbraw/zinc/65/64/80/587656480.db2.gz WCQYPVZKUVJSRE-NSHDSACASA-N 1 3 229.299 -0.196 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000832459706 587661435 /nfs/dbraw/zinc/66/14/35/587661435.db2.gz UTBQBWSDTNJYMA-GXSJLCMTSA-N 1 3 229.299 -0.115 20 0 BBADHO [NH3+]C[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000832459707 587661265 /nfs/dbraw/zinc/66/12/65/587661265.db2.gz UTBQBWSDTNJYMA-KOLCDFICSA-N 1 3 229.299 -0.115 20 0 BBADHO [NH3+]C[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000832459708 587661322 /nfs/dbraw/zinc/66/13/22/587661322.db2.gz UTBQBWSDTNJYMA-MWLCHTKSSA-N 1 3 229.299 -0.115 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000832459709 587661211 /nfs/dbraw/zinc/66/12/11/587661211.db2.gz UTBQBWSDTNJYMA-ONGXEEELSA-N 1 3 229.299 -0.115 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000832554117 587665838 /nfs/dbraw/zinc/66/58/38/587665838.db2.gz FHLMDQXEFHAKJD-BDAKNGLRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000832554119 587665889 /nfs/dbraw/zinc/66/58/89/587665889.db2.gz FHLMDQXEFHAKJD-DTWKUNHWSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000832554121 587665805 /nfs/dbraw/zinc/66/58/05/587665805.db2.gz FHLMDQXEFHAKJD-IUCAKERBSA-N 1 3 211.309 -0.066 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000832554122 587665816 /nfs/dbraw/zinc/66/58/16/587665816.db2.gz FHLMDQXEFHAKJD-RKDXNWHRSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+]CCNC(=O)c1[nH]nc2c1CNCC2 ZINC000832573102 584911755 /nfs/dbraw/zinc/91/17/55/584911755.db2.gz AFUORMQCKXOHAN-UHFFFAOYSA-N 1 3 223.280 -0.995 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NCC[NH2+]C1CC1 ZINC000832586594 587667973 /nfs/dbraw/zinc/66/79/73/587667973.db2.gz BTRHUBASGXPSCE-MRVPVSSYSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H](NC1CC1)C(=O)NCC[NH2+]C1CC1 ZINC000832586595 587668144 /nfs/dbraw/zinc/66/81/44/587668144.db2.gz BTRHUBASGXPSCE-QMMMGPOBSA-N 1 3 211.309 -0.005 20 0 BBADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000832643648 587672854 /nfs/dbraw/zinc/67/28/54/587672854.db2.gz CILWODQQPQRBSI-GXSJLCMTSA-N 1 3 229.299 -0.244 20 0 BBADHO C[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000832643649 587672809 /nfs/dbraw/zinc/67/28/09/587672809.db2.gz CILWODQQPQRBSI-KOLCDFICSA-N 1 3 229.299 -0.244 20 0 BBADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000832643650 587672692 /nfs/dbraw/zinc/67/26/92/587672692.db2.gz CILWODQQPQRBSI-MWLCHTKSSA-N 1 3 229.299 -0.244 20 0 BBADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000832643651 587672804 /nfs/dbraw/zinc/67/28/04/587672804.db2.gz CILWODQQPQRBSI-ONGXEEELSA-N 1 3 229.299 -0.244 20 0 BBADHO C[NH2+]C1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000832662672 587675892 /nfs/dbraw/zinc/67/58/92/587675892.db2.gz QQYGEMCUQJIELG-LLVKDONJSA-N 1 3 229.299 -0.102 20 0 BBADHO C[NH2+]C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000832662674 587675582 /nfs/dbraw/zinc/67/55/82/587675582.db2.gz QQYGEMCUQJIELG-NSHDSACASA-N 1 3 229.299 -0.102 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CC[C@H]1[NH3+] ZINC000832737507 587681609 /nfs/dbraw/zinc/68/16/09/587681609.db2.gz WYIJQYIDGMIWIX-FXPVBKGRSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CC[C@H]1[NH3+] ZINC000832737508 587681520 /nfs/dbraw/zinc/68/15/20/587681520.db2.gz WYIJQYIDGMIWIX-KKZNHRDASA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CC[C@@H]1[NH3+] ZINC000832737509 587681421 /nfs/dbraw/zinc/68/14/21/587681421.db2.gz WYIJQYIDGMIWIX-WCABBAIRSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CC[C@@H]1[NH3+] ZINC000832737510 587681606 /nfs/dbraw/zinc/68/16/06/587681606.db2.gz WYIJQYIDGMIWIX-YWVKMMECSA-N 1 3 229.299 -0.116 20 0 BBADHO CN1CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H](CN)C1 ZINC000834299683 587750853 /nfs/dbraw/zinc/75/08/53/587750853.db2.gz WXUWHZIQYRVTRJ-GHMZBOCLSA-N 1 3 240.351 -0.785 20 0 BBADHO CN1CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@H](CN)C1 ZINC000834299684 587750869 /nfs/dbraw/zinc/75/08/69/587750869.db2.gz WXUWHZIQYRVTRJ-MNOVXSKESA-N 1 3 240.351 -0.785 20 0 BBADHO CN1CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@@H](CN)C1 ZINC000834299685 587750742 /nfs/dbraw/zinc/75/07/42/587750742.db2.gz WXUWHZIQYRVTRJ-QWRGUYRKSA-N 1 3 240.351 -0.785 20 0 BBADHO CN1CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@@H](CN)C1 ZINC000834299686 587750807 /nfs/dbraw/zinc/75/08/07/587750807.db2.gz WXUWHZIQYRVTRJ-WDEREUQCSA-N 1 3 240.351 -0.785 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000834317209 587751383 /nfs/dbraw/zinc/75/13/83/587751383.db2.gz RITUVEALNGTDLW-ATZCPNFKSA-N 1 3 245.298 -0.737 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000834317210 584913207 /nfs/dbraw/zinc/91/32/07/584913207.db2.gz RITUVEALNGTDLW-IQJOONFLSA-N 1 3 245.298 -0.737 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000834317211 584913198 /nfs/dbraw/zinc/91/31/98/584913198.db2.gz RITUVEALNGTDLW-NGZCFLSTSA-N 1 3 245.298 -0.737 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000834317212 584913244 /nfs/dbraw/zinc/91/32/44/584913244.db2.gz RITUVEALNGTDLW-QXEWZRGKSA-N 1 3 245.298 -0.737 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)NC2CC2)CCO1 ZINC000834317409 587751223 /nfs/dbraw/zinc/75/12/23/587751223.db2.gz UGHWCYCTYGTTTG-ATZCPNFKSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)NC2CC2)CCO1 ZINC000834317410 587751260 /nfs/dbraw/zinc/75/12/60/587751260.db2.gz UGHWCYCTYGTTTG-QXEWZRGKSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)NC2CC2)CCO1 ZINC000834317411 587751417 /nfs/dbraw/zinc/75/14/17/587751417.db2.gz UGHWCYCTYGTTTG-WCABBAIRSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)NC2CC2)CCO1 ZINC000834317412 587751253 /nfs/dbraw/zinc/75/12/53/587751253.db2.gz UGHWCYCTYGTTTG-YWVKMMECSA-N 1 3 241.335 -0.299 20 0 BBADHO C[C@H](C[NH3+])CNC(=O)c1[nH]nc2c1CNCC2 ZINC000834341481 587752513 /nfs/dbraw/zinc/75/25/13/587752513.db2.gz VZUZAFFUFMQIHF-SSDOTTSWSA-N 1 3 237.307 -0.620 20 0 BBADHO C[C@@H](C[NH3+])CNC(=O)c1[nH]nc2c1CNCC2 ZINC000834341483 587752633 /nfs/dbraw/zinc/75/26/33/587752633.db2.gz VZUZAFFUFMQIHF-ZETCQYMHSA-N 1 3 237.307 -0.620 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@]1(F)CCNC1 ZINC000834360924 587752984 /nfs/dbraw/zinc/75/29/84/587752984.db2.gz APIFQPJSIAOXNJ-FXPVBKGRSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@]1(F)CCNC1 ZINC000834360925 587753146 /nfs/dbraw/zinc/75/31/46/587753146.db2.gz APIFQPJSIAOXNJ-KKZNHRDASA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@]1(F)CCNC1 ZINC000834360926 587753120 /nfs/dbraw/zinc/75/31/20/587753120.db2.gz APIFQPJSIAOXNJ-WCABBAIRSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]1(F)CCNC1 ZINC000834360927 587753003 /nfs/dbraw/zinc/75/30/03/587753003.db2.gz APIFQPJSIAOXNJ-YWVKMMECSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@H](CC[NH3+])NC(=O)c1[nH]nc2c1CNCC2 ZINC000834452764 587755498 /nfs/dbraw/zinc/75/54/98/587755498.db2.gz LPHDBZLMAGPGQQ-SSDOTTSWSA-N 1 3 237.307 -0.478 20 0 BBADHO C[C@@H](CC[NH3+])NC(=O)c1[nH]nc2c1CNCC2 ZINC000834452765 587755469 /nfs/dbraw/zinc/75/54/69/587755469.db2.gz LPHDBZLMAGPGQQ-ZETCQYMHSA-N 1 3 237.307 -0.478 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000834460247 587755623 /nfs/dbraw/zinc/75/56/23/587755623.db2.gz CJFRDMOBNXROKB-ATZCPNFKSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000834460248 587755563 /nfs/dbraw/zinc/75/55/63/587755563.db2.gz CJFRDMOBNXROKB-IQJOONFLSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000834460249 587755558 /nfs/dbraw/zinc/75/55/58/587755558.db2.gz CJFRDMOBNXROKB-NGZCFLSTSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000834460250 587755595 /nfs/dbraw/zinc/75/55/95/587755595.db2.gz CJFRDMOBNXROKB-QXEWZRGKSA-N 1 3 229.299 -0.116 20 0 BBADHO C[C@H](C[NH3+])NC(=O)c1[nH]nc2c1CNCC2 ZINC000834521170 587758524 /nfs/dbraw/zinc/75/85/24/587758524.db2.gz DGHKVXXNPPCPED-ZCFIWIBFSA-N 1 3 223.280 -0.868 20 0 BBADHO NCc1cccc(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000834528099 587758944 /nfs/dbraw/zinc/75/89/44/587758944.db2.gz AXZUYYUACHUQKX-GFCCVEGCSA-N 1 3 249.314 -0.055 20 0 BBADHO NCc1cccc(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000834528100 587758854 /nfs/dbraw/zinc/75/88/54/587758854.db2.gz AXZUYYUACHUQKX-LBPRGKRZSA-N 1 3 249.314 -0.055 20 0 BBADHO O=C(N[C@H]1CCC[NH2+]CC1)[C@@]1(F)CCNC1 ZINC000834582206 587759877 /nfs/dbraw/zinc/75/98/77/587759877.db2.gz GLJMJVTXMBFLMR-GXSJLCMTSA-N 1 3 229.299 -0.054 20 0 BBADHO O=C(N[C@@H]1CCC[NH2+]CC1)[C@]1(F)CCNC1 ZINC000834582207 587759871 /nfs/dbraw/zinc/75/98/71/587759871.db2.gz GLJMJVTXMBFLMR-KOLCDFICSA-N 1 3 229.299 -0.054 20 0 BBADHO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@]1(F)CCNC1 ZINC000834582208 587760017 /nfs/dbraw/zinc/76/00/17/587760017.db2.gz GLJMJVTXMBFLMR-MWLCHTKSSA-N 1 3 229.299 -0.054 20 0 BBADHO O=C(N[C@H]1CCC[NH2+]CC1)[C@]1(F)CCNC1 ZINC000834582209 587759975 /nfs/dbraw/zinc/75/99/75/587759975.db2.gz GLJMJVTXMBFLMR-ONGXEEELSA-N 1 3 229.299 -0.054 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)c1[nH]nc2c1CNCC2 ZINC000834608603 587760585 /nfs/dbraw/zinc/76/05/85/587760585.db2.gz DGHKVXXNPPCPED-LURJTMIESA-N 1 3 223.280 -0.868 20 0 BBADHO CCO[C@H]1C[C@](N)(C(=O)N[C@@H](C)C[NH3+])C1(C)C ZINC000834608808 584914136 /nfs/dbraw/zinc/91/41/36/584914136.db2.gz TVDBWTJERQOEDI-AUTRQRHGSA-N 1 3 243.351 -0.018 20 0 BBADHO CCO[C@H]1C[C@@](N)(C(=O)N[C@@H](C)C[NH3+])C1(C)C ZINC000834608809 584914182 /nfs/dbraw/zinc/91/41/82/584914182.db2.gz TVDBWTJERQOEDI-HOTUBEGUSA-N 1 3 243.351 -0.018 20 0 BBADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)C[NH3+])C1(C)C ZINC000834608810 584914083 /nfs/dbraw/zinc/91/40/83/584914083.db2.gz TVDBWTJERQOEDI-SBMIAAHKSA-N 1 3 243.351 -0.018 20 0 BBADHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H](C)C[NH3+])C1(C)C ZINC000834608811 584914187 /nfs/dbraw/zinc/91/41/87/584914187.db2.gz TVDBWTJERQOEDI-YGOYTEALSA-N 1 3 243.351 -0.018 20 0 BBADHO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@@H]1[NH3+] ZINC000834641455 587762443 /nfs/dbraw/zinc/76/24/43/587762443.db2.gz IIXGZAMITMKBIX-IMSYWVGJSA-N 1 3 211.309 -0.081 20 0 BBADHO CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@H]1[NH3+] ZINC000834641456 587762393 /nfs/dbraw/zinc/76/23/93/587762393.db2.gz IIXGZAMITMKBIX-JLIMGVALSA-N 1 3 211.309 -0.081 20 0 BBADHO CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@@H]1[NH3+] ZINC000834641458 587762387 /nfs/dbraw/zinc/76/23/87/587762387.db2.gz IIXGZAMITMKBIX-JXUBOQSCSA-N 1 3 211.309 -0.081 20 0 BBADHO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@H]1[NH3+] ZINC000834641460 587762331 /nfs/dbraw/zinc/76/23/31/587762331.db2.gz IIXGZAMITMKBIX-KYXWUPHJSA-N 1 3 211.309 -0.081 20 0 BBADHO C[C@H]([NH3+])CNC(=O)c1[nH]nc2c1CNCC2 ZINC000834686736 587763956 /nfs/dbraw/zinc/76/39/56/587763956.db2.gz LTHLGPNWUGNJDS-LURJTMIESA-N 1 3 223.280 -0.868 20 0 BBADHO C[C@@H]([NH3+])CNC(=O)c1[nH]nc2c1CNCC2 ZINC000834686737 587763997 /nfs/dbraw/zinc/76/39/97/587763997.db2.gz LTHLGPNWUGNJDS-ZCFIWIBFSA-N 1 3 223.280 -0.868 20 0 BBADHO C[C@]1(C[NH3+])CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000834723162 587764977 /nfs/dbraw/zinc/76/49/77/587764977.db2.gz TYZAAKVCIKBWOW-GHMZBOCLSA-N 1 3 229.299 -0.115 20 0 BBADHO C[C@]1(C[NH3+])CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000834723163 587764841 /nfs/dbraw/zinc/76/48/41/587764841.db2.gz TYZAAKVCIKBWOW-MNOVXSKESA-N 1 3 229.299 -0.115 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000834723164 587765006 /nfs/dbraw/zinc/76/50/06/587765006.db2.gz TYZAAKVCIKBWOW-QWRGUYRKSA-N 1 3 229.299 -0.115 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000834723165 587764860 /nfs/dbraw/zinc/76/48/60/587764860.db2.gz TYZAAKVCIKBWOW-WDEREUQCSA-N 1 3 229.299 -0.115 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@@H]1N ZINC000834747361 587765605 /nfs/dbraw/zinc/76/56/05/587765605.db2.gz UEGVJTLGUPTVBA-MAUMQABQSA-N 1 3 215.272 -0.508 20 0 BBADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@]1(F)CCNC1 ZINC000834791632 587767133 /nfs/dbraw/zinc/76/71/33/587767133.db2.gz PYKKVJYOFYHPET-BXKDBHETSA-N 1 3 241.310 -0.054 20 0 BBADHO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@]1(F)CCNC1 ZINC000834791633 587767106 /nfs/dbraw/zinc/76/71/06/587767106.db2.gz PYKKVJYOFYHPET-CABZTGNLSA-N 1 3 241.310 -0.054 20 0 BBADHO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@]1(F)CCNC1 ZINC000834791634 587767231 /nfs/dbraw/zinc/76/72/31/587767231.db2.gz PYKKVJYOFYHPET-JOYOIKCWSA-N 1 3 241.310 -0.054 20 0 BBADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@]1(F)CCNC1 ZINC000834791635 587767273 /nfs/dbraw/zinc/76/72/73/587767273.db2.gz PYKKVJYOFYHPET-SKDRFNHKSA-N 1 3 241.310 -0.054 20 0 BBADHO [NH3+][C@@H](CC(=O)NC[C@@H]1C[C@H](F)CN1)C1CC1 ZINC000834795616 587767220 /nfs/dbraw/zinc/76/72/20/587767220.db2.gz CUMHWNFZMWYIED-GUBZILKMSA-N 1 3 229.299 -0.070 20 0 BBADHO [NH3+][C@H](CC(=O)NC[C@@H]1C[C@H](F)CN1)C1CC1 ZINC000834795620 587767123 /nfs/dbraw/zinc/76/71/23/587767123.db2.gz CUMHWNFZMWYIED-LPEHRKFASA-N 1 3 229.299 -0.070 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000834796751 587767261 /nfs/dbraw/zinc/76/72/61/587767261.db2.gz OMBATZBPSQJUBE-NRPADANISA-N 1 3 229.299 -0.057 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000834796752 587767090 /nfs/dbraw/zinc/76/70/90/587767090.db2.gz OMBATZBPSQJUBE-WEDXCCLWSA-N 1 3 229.299 -0.057 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]1(F)CCNC1 ZINC000834797331 587767248 /nfs/dbraw/zinc/76/72/48/587767248.db2.gz WBFXMCQDYIGYKZ-NRPADANISA-N 1 3 233.262 -0.496 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@]1(F)CCNC1 ZINC000834797332 587767177 /nfs/dbraw/zinc/76/71/77/587767177.db2.gz WBFXMCQDYIGYKZ-OYNCUSHFSA-N 1 3 233.262 -0.496 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000834813536 587767434 /nfs/dbraw/zinc/76/74/34/587767434.db2.gz PIFAFJILFRZUGN-PSASIEDQSA-N 1 3 217.288 -0.068 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000834813537 587767460 /nfs/dbraw/zinc/76/74/60/587767460.db2.gz PIFAFJILFRZUGN-SCZZXKLOSA-N 1 3 217.288 -0.068 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000834813538 587767481 /nfs/dbraw/zinc/76/74/81/587767481.db2.gz PIFAFJILFRZUGN-WCBMZHEXSA-N 1 3 217.288 -0.068 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000834813539 587767530 /nfs/dbraw/zinc/76/75/30/587767530.db2.gz PIFAFJILFRZUGN-WPRPVWTQSA-N 1 3 217.288 -0.068 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000834821681 587767711 /nfs/dbraw/zinc/76/77/11/587767711.db2.gz SAKBWLFENKDZGM-ACLDMZEESA-N 1 3 203.261 -0.460 20 0 BBADHO C[C@@H](NC(=O)[C@@]1(F)CCNC1)[C@H](C)[NH3+] ZINC000834821682 587767800 /nfs/dbraw/zinc/76/78/00/587767800.db2.gz SAKBWLFENKDZGM-LKEWCRSYSA-N 1 3 203.261 -0.460 20 0 BBADHO C[C@@H](NC(=O)[C@]1(F)CCNC1)[C@H](C)[NH3+] ZINC000834821683 587767734 /nfs/dbraw/zinc/76/77/34/587767734.db2.gz SAKBWLFENKDZGM-OOZYFLPDSA-N 1 3 203.261 -0.460 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000834821684 587767787 /nfs/dbraw/zinc/76/77/87/587767787.db2.gz SAKBWLFENKDZGM-ZKWXMUAHSA-N 1 3 203.261 -0.460 20 0 BBADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000834822502 587767720 /nfs/dbraw/zinc/76/77/20/587767720.db2.gz XVRNCJSROYXJFP-BQBZGAKWSA-N 1 3 237.307 -0.479 20 0 BBADHO C[C@@H](NC(=O)c1[nH]nc2c1CNCC2)[C@H](C)[NH3+] ZINC000834822503 587767586 /nfs/dbraw/zinc/76/75/86/587767586.db2.gz XVRNCJSROYXJFP-NKWVEPMBSA-N 1 3 237.307 -0.479 20 0 BBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000834822504 587767651 /nfs/dbraw/zinc/76/76/51/587767651.db2.gz XVRNCJSROYXJFP-RNFRBKRXSA-N 1 3 237.307 -0.479 20 0 BBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000834822505 587767643 /nfs/dbraw/zinc/76/76/43/587767643.db2.gz XVRNCJSROYXJFP-RQJHMYQMSA-N 1 3 237.307 -0.479 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)c1[nH]nc2c1CNCC2 ZINC000834827156 587767938 /nfs/dbraw/zinc/76/79/38/587767938.db2.gz RGCQNMZWVKLEHY-SSDOTTSWSA-N 1 3 237.307 -0.478 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)c1[nH]nc2c1CNCC2 ZINC000834827160 587767826 /nfs/dbraw/zinc/76/78/26/587767826.db2.gz RGCQNMZWVKLEHY-ZETCQYMHSA-N 1 3 237.307 -0.478 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)[C@]1(F)CCNC1 ZINC000834827686 587768072 /nfs/dbraw/zinc/76/80/72/587768072.db2.gz VGMHPPSSRLSZSM-APPZFPTMSA-N 1 3 203.261 -0.459 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)[C@]1(F)CCNC1 ZINC000834827688 587767840 /nfs/dbraw/zinc/76/78/40/587767840.db2.gz VGMHPPSSRLSZSM-CBAPKCEASA-N 1 3 203.261 -0.459 20 0 BBADHO CC[C@H]([NH3+])CNC(=O)[C@@]1(F)CCNC1 ZINC000834827690 587767905 /nfs/dbraw/zinc/76/79/05/587767905.db2.gz VGMHPPSSRLSZSM-IONNQARKSA-N 1 3 203.261 -0.459 20 0 BBADHO CC[C@@H]([NH3+])CNC(=O)[C@@]1(F)CCNC1 ZINC000834827691 587767981 /nfs/dbraw/zinc/76/79/81/587767981.db2.gz VGMHPPSSRLSZSM-VXNVDRBHSA-N 1 3 203.261 -0.459 20 0 BBADHO [NH3+]CC[C@@H](NC(=O)[C@@]1(F)CCNC1)C(F)F ZINC000834831216 584915228 /nfs/dbraw/zinc/91/52/28/584915228.db2.gz OUTWZSPOZPFZCR-HZGVNTEJSA-N 1 3 239.241 -0.213 20 0 BBADHO [NH3+]CC[C@H](NC(=O)[C@@]1(F)CCNC1)C(F)F ZINC000834831327 584915096 /nfs/dbraw/zinc/91/50/96/584915096.db2.gz OUTWZSPOZPFZCR-IMTBSYHQSA-N 1 3 239.241 -0.213 20 0 BBADHO [NH3+]CC[C@@H](NC(=O)[C@]1(F)CCNC1)C(F)F ZINC000834831353 584915047 /nfs/dbraw/zinc/91/50/47/584915047.db2.gz OUTWZSPOZPFZCR-MUWHJKNJSA-N 1 3 239.241 -0.213 20 0 BBADHO [NH3+]CC[C@H](NC(=O)[C@]1(F)CCNC1)C(F)F ZINC000834831360 584915183 /nfs/dbraw/zinc/91/51/83/584915183.db2.gz OUTWZSPOZPFZCR-RCOVLWMOSA-N 1 3 239.241 -0.213 20 0 BBADHO CN(C(=O)c1[nH]nc2c1CNCC2)C1CC([NH3+])C1 ZINC000834834215 587768189 /nfs/dbraw/zinc/76/81/89/587768189.db2.gz BTQAHVZOTUJHTJ-UHFFFAOYSA-N 1 3 249.318 -0.383 20 0 BBADHO [NH3+]CCOCC(=O)N[C@@H]1CNCCC1(F)F ZINC000834846488 587768416 /nfs/dbraw/zinc/76/84/16/587768416.db2.gz XNYRGOZBXODIAV-SSDOTTSWSA-N 1 3 237.250 -0.925 20 0 BBADHO [NH3+]CCOCC(=O)N[C@H]1CNCCC1(F)F ZINC000834846489 587768580 /nfs/dbraw/zinc/76/85/80/587768580.db2.gz XNYRGOZBXODIAV-ZETCQYMHSA-N 1 3 237.250 -0.925 20 0 BBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@]1(F)CCNC1 ZINC000834861301 587768839 /nfs/dbraw/zinc/76/88/39/587768839.db2.gz HZHJDHLVQVOQHB-GXSJLCMTSA-N 1 3 245.298 -0.817 20 0 BBADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@]1(F)CCNC1 ZINC000834861304 587768785 /nfs/dbraw/zinc/76/87/85/587768785.db2.gz HZHJDHLVQVOQHB-KOLCDFICSA-N 1 3 245.298 -0.817 20 0 BBADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@]1(F)CCNC1 ZINC000834861305 587768811 /nfs/dbraw/zinc/76/88/11/587768811.db2.gz HZHJDHLVQVOQHB-MWLCHTKSSA-N 1 3 245.298 -0.817 20 0 BBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@]1(F)CCNC1 ZINC000834861307 587768731 /nfs/dbraw/zinc/76/87/31/587768731.db2.gz HZHJDHLVQVOQHB-ONGXEEELSA-N 1 3 245.298 -0.817 20 0 BBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@]2(F)CCNC2)C1 ZINC000834861585 587768789 /nfs/dbraw/zinc/76/87/89/587768789.db2.gz KLADBVCMZUPXRG-FXPVBKGRSA-N 1 3 229.299 -0.068 20 0 BBADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@]2(F)CCNC2)C1 ZINC000834861586 587768823 /nfs/dbraw/zinc/76/88/23/587768823.db2.gz KLADBVCMZUPXRG-KKZNHRDASA-N 1 3 229.299 -0.068 20 0 BBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@]2(F)CCNC2)C1 ZINC000834861588 587768902 /nfs/dbraw/zinc/76/89/02/587768902.db2.gz KLADBVCMZUPXRG-WCABBAIRSA-N 1 3 229.299 -0.068 20 0 BBADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@]2(F)CCNC2)C1 ZINC000834861589 587768799 /nfs/dbraw/zinc/76/87/99/587768799.db2.gz KLADBVCMZUPXRG-YWVKMMECSA-N 1 3 229.299 -0.068 20 0 BBADHO O=C(N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@]1(F)CCNC1 ZINC000834865564 587768911 /nfs/dbraw/zinc/76/89/11/587768911.db2.gz GAFNZWDAVFKLGT-WCABBAIRSA-N 1 3 227.283 -0.492 20 0 BBADHO O=C(N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@]1(F)CCNC1 ZINC000834865569 587768882 /nfs/dbraw/zinc/76/88/82/587768882.db2.gz GAFNZWDAVFKLGT-YWVKMMECSA-N 1 3 227.283 -0.492 20 0 BBADHO C[C@@H](CNC(=S)NCCN(C)C)[NH+](C)C ZINC000840810990 587922736 /nfs/dbraw/zinc/92/27/36/587922736.db2.gz XJCZDMXPRLGEED-VIFPVBQESA-N 1 3 232.397 -0.038 20 0 BBADHO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@]1(F)CCNC1 ZINC000841845752 587977470 /nfs/dbraw/zinc/97/74/70/587977470.db2.gz JHWIAQFWSNUKHT-GXSJLCMTSA-N 1 3 229.299 -0.054 20 0 BBADHO O=C(NC[C@H]1CCCC[NH2+]1)[C@]1(F)CCNC1 ZINC000841845753 587977223 /nfs/dbraw/zinc/97/72/23/587977223.db2.gz JHWIAQFWSNUKHT-KOLCDFICSA-N 1 3 229.299 -0.054 20 0 BBADHO O=C(NC[C@H]1CCCC[NH2+]1)[C@@]1(F)CCNC1 ZINC000841845754 587977353 /nfs/dbraw/zinc/97/73/53/587977353.db2.gz JHWIAQFWSNUKHT-MWLCHTKSSA-N 1 3 229.299 -0.054 20 0 BBADHO O=C(NC[C@@H]1CCCC[NH2+]1)[C@]1(F)CCNC1 ZINC000841845755 587977493 /nfs/dbraw/zinc/97/74/93/587977493.db2.gz JHWIAQFWSNUKHT-ONGXEEELSA-N 1 3 229.299 -0.054 20 0 BBADHO CC1(C)CNCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841849027 587977906 /nfs/dbraw/zinc/97/79/06/587977906.db2.gz MPFCOIROCVAIGA-LLVKDONJSA-N 1 3 229.299 -0.102 20 0 BBADHO CC1(C)CNCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000841849028 587977687 /nfs/dbraw/zinc/97/76/87/587977687.db2.gz MPFCOIROCVAIGA-NSHDSACASA-N 1 3 229.299 -0.102 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@H](C)CN1 ZINC000841849497 587978003 /nfs/dbraw/zinc/97/80/03/587978003.db2.gz XYHCPIMXFCIZHG-FXPVBKGRSA-N 1 3 229.299 -0.103 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)[C@H](C)CN1 ZINC000841849498 587977960 /nfs/dbraw/zinc/97/79/60/587977960.db2.gz XYHCPIMXFCIZHG-KKZNHRDASA-N 1 3 229.299 -0.103 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](C)CN1 ZINC000841849499 587977578 /nfs/dbraw/zinc/97/75/78/587977578.db2.gz XYHCPIMXFCIZHG-WCABBAIRSA-N 1 3 229.299 -0.103 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)[C@@H](C)CN1 ZINC000841849500 587977760 /nfs/dbraw/zinc/97/77/60/587977760.db2.gz XYHCPIMXFCIZHG-YWVKMMECSA-N 1 3 229.299 -0.103 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@]1(F)CCNC1 ZINC000841851435 587978325 /nfs/dbraw/zinc/97/83/25/587978325.db2.gz QCSHHRVNBFAXFS-ATZCPNFKSA-N 1 3 247.289 -0.154 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@]1(F)CCNC1 ZINC000841851446 587978302 /nfs/dbraw/zinc/97/83/02/587978302.db2.gz QCSHHRVNBFAXFS-QXEWZRGKSA-N 1 3 247.289 -0.154 20 0 BBADHO CN(C(=O)[C@]1(F)CCNC1)C1CC([NH3+])C1 ZINC000841852882 583407596 /nfs/dbraw/zinc/40/75/96/583407596.db2.gz RVQNPVVZIOKPMY-KTOWXAHTSA-N 1 3 215.272 -0.364 20 0 BBADHO CN(C(=O)[C@@]1(F)CCNC1)C1CC([NH3+])C1 ZINC000841852883 583407696 /nfs/dbraw/zinc/40/76/96/583407696.db2.gz RVQNPVVZIOKPMY-SFVIPPHHSA-N 1 3 215.272 -0.364 20 0 BBADHO CC1(C)CN(C(=O)[C@@]2(F)CC[NH2+]C2)CCN1 ZINC000841855464 645230337 /nfs/dbraw/zinc/23/03/37/645230337.db2.gz GYNXDIUDIHQKQU-LLVKDONJSA-N 1 3 229.299 -0.102 20 0 BBADHO CC1(C)CN(C(=O)[C@]2(F)CC[NH2+]C2)CCN1 ZINC000841855469 645230269 /nfs/dbraw/zinc/23/02/69/645230269.db2.gz GYNXDIUDIHQKQU-NSHDSACASA-N 1 3 229.299 -0.102 20 0 BBADHO [NH3+]C[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCCO1 ZINC000842508389 588032010 /nfs/dbraw/zinc/03/20/10/588032010.db2.gz AICIHJBGMRFISO-GXSJLCMTSA-N 1 3 245.298 -0.736 20 0 BBADHO [NH3+]C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CCCO1 ZINC000842508390 588031580 /nfs/dbraw/zinc/03/15/80/588031580.db2.gz AICIHJBGMRFISO-KOLCDFICSA-N 1 3 245.298 -0.736 20 0 BBADHO [NH3+]C[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CCCO1 ZINC000842508391 588031944 /nfs/dbraw/zinc/03/19/44/588031944.db2.gz AICIHJBGMRFISO-MWLCHTKSSA-N 1 3 245.298 -0.736 20 0 BBADHO [NH3+]C[C@H]1CN(C(=O)[C@]2(F)CCNC2)CCCO1 ZINC000842508392 588031593 /nfs/dbraw/zinc/03/15/93/588031593.db2.gz AICIHJBGMRFISO-ONGXEEELSA-N 1 3 245.298 -0.736 20 0 BBADHO [NH3+][C@H](CC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000842509326 588031883 /nfs/dbraw/zinc/03/18/83/588031883.db2.gz IJWNIMPLSIVEAJ-NXEZZACHSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+][C@@H](CC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000842509327 588031724 /nfs/dbraw/zinc/03/17/24/588031724.db2.gz IJWNIMPLSIVEAJ-UWVGGRQHSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+][C@H](CC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000842509328 588031866 /nfs/dbraw/zinc/03/18/66/588031866.db2.gz IJWNIMPLSIVEAJ-VHSXEESVSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+][C@@H](CC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000842509329 588031840 /nfs/dbraw/zinc/03/18/40/588031840.db2.gz IJWNIMPLSIVEAJ-ZJUUUORDSA-N 1 3 227.308 -0.782 20 0 BBADHO [NH3+]CCCCCC(=O)NC[C@@H]1CNCCO1 ZINC000842509469 588031977 /nfs/dbraw/zinc/03/19/77/588031977.db2.gz KGTZDJVOUUYYNP-JTQLQIEISA-N 1 3 229.324 -0.390 20 0 BBADHO [NH3+]CCCCCC(=O)NC[C@H]1CNCCO1 ZINC000842509471 588031855 /nfs/dbraw/zinc/03/18/55/588031855.db2.gz KGTZDJVOUUYYNP-SNVBAGLBSA-N 1 3 229.324 -0.390 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(F)CCNC1 ZINC000842509544 588031936 /nfs/dbraw/zinc/03/19/36/588031936.db2.gz CWLLHHMQSMYSKD-NRPADANISA-N 1 3 215.272 -0.364 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(F)CCNC1 ZINC000842509545 588031671 /nfs/dbraw/zinc/03/16/71/588031671.db2.gz CWLLHHMQSMYSKD-OYNCUSHFSA-N 1 3 215.272 -0.364 20 0 BBADHO C[NH2+]CCCN(C)C(=O)[C@]1(F)CCNC1 ZINC000842511175 588032244 /nfs/dbraw/zinc/03/22/44/588032244.db2.gz WTGWNLGSYRERJK-JTQLQIEISA-N 1 3 217.288 -0.244 20 0 BBADHO C[NH2+]CCCN(C)C(=O)[C@@]1(F)CCNC1 ZINC000842511177 588032057 /nfs/dbraw/zinc/03/20/57/588032057.db2.gz WTGWNLGSYRERJK-SNVBAGLBSA-N 1 3 217.288 -0.244 20 0 BBADHO COCCNCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842514649 588032278 /nfs/dbraw/zinc/03/22/78/588032278.db2.gz ZPXDYBJFRPUZGJ-GFCCVEGCSA-N 1 3 241.335 -0.423 20 0 BBADHO COCCNCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842514654 588032416 /nfs/dbraw/zinc/03/24/16/588032416.db2.gz ZPXDYBJFRPUZGJ-LBPRGKRZSA-N 1 3 241.335 -0.423 20 0 BBADHO CNC[C@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000843080363 588079936 /nfs/dbraw/zinc/07/99/36/588079936.db2.gz HWTNJVSGSWOKKU-JTQLQIEISA-N 1 3 216.325 -0.149 20 0 BBADHO CNC[C@@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000843080364 588079959 /nfs/dbraw/zinc/07/99/59/588079959.db2.gz HWTNJVSGSWOKKU-SNVBAGLBSA-N 1 3 216.325 -0.149 20 0 BBADHO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000843295397 588098260 /nfs/dbraw/zinc/09/82/60/588098260.db2.gz WMKXXQPZNFXBPF-LLVKDONJSA-N 1 3 241.335 -0.423 20 0 BBADHO O=C(CO[C@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000843295398 588098132 /nfs/dbraw/zinc/09/81/32/588098132.db2.gz WMKXXQPZNFXBPF-NSHDSACASA-N 1 3 241.335 -0.423 20 0 BBADHO CN(CCNS(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000843355464 588102965 /nfs/dbraw/zinc/10/29/65/588102965.db2.gz QNZMIAKIRFSRPV-UHFFFAOYSA-N 1 3 249.380 -0.263 20 0 BBADHO CCNCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843478592 588114081 /nfs/dbraw/zinc/11/40/81/588114081.db2.gz WXROZUVNONONBI-LLVKDONJSA-N 1 3 240.351 -0.898 20 0 BBADHO CCNCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843478593 588114058 /nfs/dbraw/zinc/11/40/58/588114058.db2.gz WXROZUVNONONBI-NSHDSACASA-N 1 3 240.351 -0.898 20 0 BBADHO CCNCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843480723 588114382 /nfs/dbraw/zinc/11/43/82/588114382.db2.gz KTSBXNZOROKYHE-LLVKDONJSA-N 1 3 240.351 -0.898 20 0 BBADHO CCNCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843480726 588114408 /nfs/dbraw/zinc/11/44/08/588114408.db2.gz KTSBXNZOROKYHE-NSHDSACASA-N 1 3 240.351 -0.898 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483041 588114467 /nfs/dbraw/zinc/11/44/67/588114467.db2.gz BXNBERDPVPIRIW-KXUCPTDWSA-N 1 3 223.320 -0.195 20 0 BBADHO CC1(C)CN[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483045 588114564 /nfs/dbraw/zinc/11/45/64/588114564.db2.gz BXNBERDPVPIRIW-UTLUCORTSA-N 1 3 223.320 -0.195 20 0 BBADHO O=C(N[C@H]1CNCCC1(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483550 588114270 /nfs/dbraw/zinc/11/42/70/588114270.db2.gz CVKRSPXLOHYPED-UYXSQOIJSA-N 1 3 245.273 -0.435 20 0 BBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483551 588114425 /nfs/dbraw/zinc/11/44/25/588114425.db2.gz CVKRSPXLOHYPED-XAVMHZPKSA-N 1 3 245.273 -0.435 20 0 BBADHO CCNCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000843483558 588114469 /nfs/dbraw/zinc/11/44/69/588114469.db2.gz DPOTUNCURZHSKR-SECBINFHSA-N 1 3 215.297 -0.909 20 0 BBADHO CCNCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000843483559 588114643 /nfs/dbraw/zinc/11/46/43/588114643.db2.gz DPOTUNCURZHSKR-VIFPVBQESA-N 1 3 215.297 -0.909 20 0 BBADHO CCNCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000843484544 588114328 /nfs/dbraw/zinc/11/43/28/588114328.db2.gz SODAVVACQMUETA-LURJTMIESA-N 1 3 209.240 -0.305 20 0 BBADHO CCNCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000843484545 588114351 /nfs/dbraw/zinc/11/43/51/588114351.db2.gz SODAVVACQMUETA-ZCFIWIBFSA-N 1 3 209.240 -0.305 20 0 BBADHO CC[NH2+]CC(=O)N[C@@H]1CNCCC1(F)F ZINC000843485768 588114449 /nfs/dbraw/zinc/11/44/49/588114449.db2.gz XNMRPKQDAVDGRW-SSDOTTSWSA-N 1 3 221.251 -0.291 20 0 BBADHO CC[NH2+]CC(=O)N[C@H]1CNCCC1(F)F ZINC000843485789 588114391 /nfs/dbraw/zinc/11/43/91/588114391.db2.gz XNMRPKQDAVDGRW-ZETCQYMHSA-N 1 3 221.251 -0.291 20 0 BBADHO O=C(N[C@H]1CNCCC1(F)F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843486175 588114847 /nfs/dbraw/zinc/11/48/47/588114847.db2.gz YNZLIGUYILIFDH-HXFLIBJXSA-N 1 3 245.273 -0.150 20 0 BBADHO O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843486176 588114757 /nfs/dbraw/zinc/11/47/57/588114757.db2.gz YNZLIGUYILIFDH-LURQLKTLSA-N 1 3 245.273 -0.150 20 0 BBADHO CC[NH2+]CC(=O)N(CCOC)CCN(C)C ZINC000843490395 588115075 /nfs/dbraw/zinc/11/50/75/588115075.db2.gz YFBNCLUUBNKWDE-UHFFFAOYSA-N 1 3 231.340 -0.368 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000843501377 588116994 /nfs/dbraw/zinc/11/69/94/588116994.db2.gz JJCNDIVYXBIRPA-JTQLQIEISA-N 1 3 217.288 -0.068 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000843501378 588116771 /nfs/dbraw/zinc/11/67/71/588116771.db2.gz JJCNDIVYXBIRPA-SNVBAGLBSA-N 1 3 217.288 -0.068 20 0 BBADHO CCNCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000843501864 588116986 /nfs/dbraw/zinc/11/69/86/588116986.db2.gz ROJSEJNOBSWKRK-UHFFFAOYSA-N 1 3 211.309 -0.050 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000843502999 588116722 /nfs/dbraw/zinc/11/67/22/588116722.db2.gz IJOXFKRQIGWMGX-NRPADANISA-N 1 3 217.288 -0.070 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000843503000 588116844 /nfs/dbraw/zinc/11/68/44/588116844.db2.gz IJOXFKRQIGWMGX-OYNCUSHFSA-N 1 3 217.288 -0.070 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000843503001 588116925 /nfs/dbraw/zinc/11/69/25/588116925.db2.gz IJOXFKRQIGWMGX-QXFUBDJGSA-N 1 3 217.288 -0.070 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000843503002 588116708 /nfs/dbraw/zinc/11/67/08/588116708.db2.gz IJOXFKRQIGWMGX-XKSSXDPKSA-N 1 3 217.288 -0.070 20 0 BBADHO O=C(NCCC[NH2+]C1CC1)[C@@]1(F)CCNC1 ZINC000843512649 588118213 /nfs/dbraw/zinc/11/82/13/588118213.db2.gz LKBRSUVTBIRWJW-LLVKDONJSA-N 1 3 229.299 -0.054 20 0 BBADHO O=C(NCCC[NH2+]C1CC1)[C@]1(F)CCNC1 ZINC000843512650 588118124 /nfs/dbraw/zinc/11/81/24/588118124.db2.gz LKBRSUVTBIRWJW-NSHDSACASA-N 1 3 229.299 -0.054 20 0 BBADHO CC[NH2+]CC(=O)NCCCN1CCC(O)CC1 ZINC000844172640 588171988 /nfs/dbraw/zinc/17/19/88/588171988.db2.gz VHFZQTCERSIDNG-UHFFFAOYSA-N 1 3 243.351 -0.441 20 0 BBADHO CC[NH2+]CC(=O)NC1CCN(CCOC)CC1 ZINC000844174701 588171840 /nfs/dbraw/zinc/17/18/40/588171840.db2.gz BQIDVWPOKIWEKC-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)N(C)C ZINC000844177087 588171861 /nfs/dbraw/zinc/17/18/61/588171861.db2.gz AZMOULHWVHKBGU-GHMZBOCLSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)N(C)C ZINC000844177088 588172507 /nfs/dbraw/zinc/17/25/07/588172507.db2.gz AZMOULHWVHKBGU-MNOVXSKESA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)N(C)C ZINC000844177089 588172297 /nfs/dbraw/zinc/17/22/97/588172297.db2.gz AZMOULHWVHKBGU-QWRGUYRKSA-N 1 3 243.351 -0.179 20 0 BBADHO C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)N(C)C ZINC000844177090 588172395 /nfs/dbraw/zinc/17/23/95/588172395.db2.gz AZMOULHWVHKBGU-WDEREUQCSA-N 1 3 243.351 -0.179 20 0 BBADHO CCNCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000844178716 588171984 /nfs/dbraw/zinc/17/19/84/588171984.db2.gz IZUIQXRAEGUMQJ-UHFFFAOYSA-N 1 3 239.323 -0.007 20 0 BBADHO CCNCC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000844180726 588172468 /nfs/dbraw/zinc/17/24/68/588172468.db2.gz SCRFAUSGVLBVOB-UHFFFAOYSA-N 1 3 239.323 -0.007 20 0 BBADHO CC[NH2+]CC(=O)NC[C@H]1CCCN1CCOC ZINC000844181077 588172522 /nfs/dbraw/zinc/17/25/22/588172522.db2.gz MWXWBHDPWAGVKW-LLVKDONJSA-N 1 3 243.351 -0.177 20 0 BBADHO CC[NH2+]CC(=O)NC[C@@H]1CCCN1CCOC ZINC000844181078 588172419 /nfs/dbraw/zinc/17/24/19/588172419.db2.gz MWXWBHDPWAGVKW-NSHDSACASA-N 1 3 243.351 -0.177 20 0 BBADHO CC[NH2+]CC(=O)NCCN1CCN(CC)CC1 ZINC000844192526 588172731 /nfs/dbraw/zinc/17/27/31/588172731.db2.gz WOTVOBNHDQYYQL-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](OC)C1 ZINC000846219193 588260874 /nfs/dbraw/zinc/26/08/74/588260874.db2.gz JWADQRCGWINJBX-NXEZZACHSA-N 1 3 202.298 -0.323 20 0 BBADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000846219193 588260873 /nfs/dbraw/zinc/26/08/73/588260873.db2.gz JWADQRCGWINJBX-NXEZZACHSA-N 1 3 202.298 -0.323 20 0 BBADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](OC)C1 ZINC000846219194 588260738 /nfs/dbraw/zinc/26/07/38/588260738.db2.gz JWADQRCGWINJBX-ZJUUUORDSA-N 1 3 202.298 -0.323 20 0 BBADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000846219194 588260737 /nfs/dbraw/zinc/26/07/37/588260737.db2.gz JWADQRCGWINJBX-ZJUUUORDSA-N 1 3 202.298 -0.323 20 0 BBADHO NS(=O)(=O)[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220552 588261336 /nfs/dbraw/zinc/26/13/36/588261336.db2.gz KPQDXLYFGDMKKF-JTQLQIEISA-N 1 3 249.380 -0.132 20 0 BBADHO NS(=O)(=O)[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220553 588261101 /nfs/dbraw/zinc/26/11/01/588261101.db2.gz KPQDXLYFGDMKKF-SNVBAGLBSA-N 1 3 249.380 -0.132 20 0 BBADHO N[C@H]1C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846686702 588282999 /nfs/dbraw/zinc/28/29/99/588282999.db2.gz APNORHAEGRRGOI-WYFGTUCQSA-N 1 3 223.320 -0.079 20 0 BBADHO CCNCC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000846687466 588282910 /nfs/dbraw/zinc/28/29/10/588282910.db2.gz OYIWUABHIGEWOL-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO [NH3+]CC1(CCNC(=O)[C@@]2(F)CCNC2)CC1 ZINC000846691402 588283225 /nfs/dbraw/zinc/28/32/25/588283225.db2.gz KRIHNXWPCLLNPM-LLVKDONJSA-N 1 3 229.299 -0.067 20 0 BBADHO [NH3+]CC1(CCNC(=O)[C@]2(F)CCNC2)CC1 ZINC000846691404 588283088 /nfs/dbraw/zinc/28/30/88/588283088.db2.gz KRIHNXWPCLLNPM-NSHDSACASA-N 1 3 229.299 -0.067 20 0 BBADHO CCNCC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846694814 588283123 /nfs/dbraw/zinc/28/31/23/588283123.db2.gz RGIUUEVEFRKPGM-NXEZZACHSA-N 1 3 229.324 -0.582 20 0 BBADHO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)C[C@H]1C[NH3+] ZINC000846697074 588283459 /nfs/dbraw/zinc/28/34/59/588283459.db2.gz ZHMJCMTZIPXBMT-DOLQZWNJSA-N 1 3 227.308 -0.844 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000846701292 588283467 /nfs/dbraw/zinc/28/34/67/588283467.db2.gz USIGBPUXSUXEAM-VHSXEESVSA-N 1 3 211.309 -0.161 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848429040 588383133 /nfs/dbraw/zinc/38/31/33/588383133.db2.gz LOOWNBYOBSNQCT-GXSJLCMTSA-N 1 3 211.309 -0.051 20 0 BBADHO CN[C@@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848429043 588383524 /nfs/dbraw/zinc/38/35/24/588383524.db2.gz LOOWNBYOBSNQCT-ONGXEEELSA-N 1 3 211.309 -0.051 20 0 BBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCO ZINC000848980401 588423381 /nfs/dbraw/zinc/42/33/81/588423381.db2.gz JOEJLPGECXUUNU-JTQLQIEISA-N 1 3 228.340 -0.033 20 0 BBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCO ZINC000848980402 588423274 /nfs/dbraw/zinc/42/32/74/588423274.db2.gz JOEJLPGECXUUNU-SNVBAGLBSA-N 1 3 228.340 -0.033 20 0 BBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCO ZINC000848980444 588423362 /nfs/dbraw/zinc/42/33/62/588423362.db2.gz MTGXVZYNTURMMF-SECBINFHSA-N 1 3 214.313 -0.423 20 0 BBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCO ZINC000848980445 588423335 /nfs/dbraw/zinc/42/33/35/588423335.db2.gz MTGXVZYNTURMMF-VIFPVBQESA-N 1 3 214.313 -0.423 20 0 BBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)O ZINC000848980819 588422754 /nfs/dbraw/zinc/42/27/54/588422754.db2.gz PJEXBJROMHJIBD-NXEZZACHSA-N 1 3 228.340 -0.035 20 0 BBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)O ZINC000848980820 588422745 /nfs/dbraw/zinc/42/27/45/588422745.db2.gz PJEXBJROMHJIBD-ZJUUUORDSA-N 1 3 228.340 -0.035 20 0 BBADHO CCNC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000848987850 588426293 /nfs/dbraw/zinc/42/62/93/588426293.db2.gz IJFLCRJDZWYKBY-UHFFFAOYSA-N 1 3 228.340 -0.033 20 0 BBADHO CNC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000848987881 588426363 /nfs/dbraw/zinc/42/63/63/588426363.db2.gz MEWQTJKYUOZMSW-UHFFFAOYSA-N 1 3 214.313 -0.423 20 0 BBADHO CCNC(=[NH2+])NCCN1CCCN(C)CC1 ZINC000848993974 588428263 /nfs/dbraw/zinc/42/82/63/588428263.db2.gz ABOVHEMOKFCXJS-UHFFFAOYSA-N 1 3 227.356 -0.242 20 0 BBADHO CNC(=[NH2+])NCCN1CCCN(C)CC1 ZINC000848994098 588428253 /nfs/dbraw/zinc/42/82/53/588428253.db2.gz QUUXJLZGLKQACU-UHFFFAOYSA-N 1 3 213.329 -0.632 20 0 BBADHO CN1CCCN(CCNC(=[NH2+])N2CCC2)CC1 ZINC000848994118 582819774 /nfs/dbraw/zinc/81/97/74/582819774.db2.gz SZVVWXHGOLMQOG-UHFFFAOYSA-N 1 3 239.367 -0.146 20 0 BBADHO CN(C)C(=[NH2+])NCCN1CCCN(C)CC1 ZINC000848994145 588428340 /nfs/dbraw/zinc/42/83/40/588428340.db2.gz XFJDFSPJKFKBPL-UHFFFAOYSA-N 1 3 227.356 -0.290 20 0 BBADHO C[C@H](CNC(=[NH2+])N(C)C)CN1CCN(C)CC1 ZINC000848994595 582820475 /nfs/dbraw/zinc/82/04/75/582820475.db2.gz QNKZVTZNVCHATA-LLVKDONJSA-N 1 3 241.383 -0.044 20 0 BBADHO C[C@@H](CNC(=[NH2+])N(C)C)CN1CCN(C)CC1 ZINC000848994600 582820456 /nfs/dbraw/zinc/82/04/56/582820456.db2.gz QNKZVTZNVCHATA-NSHDSACASA-N 1 3 241.383 -0.044 20 0 BBADHO CNC(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000848994654 588428444 /nfs/dbraw/zinc/42/84/44/588428444.db2.gz TXELSTWIPBMGTM-JTQLQIEISA-N 1 3 227.356 -0.386 20 0 BBADHO CNC(=[NH2+])NC[C@@H](C)CN1CCN(C)CC1 ZINC000848994655 588428752 /nfs/dbraw/zinc/42/87/52/588428752.db2.gz TXELSTWIPBMGTM-SNVBAGLBSA-N 1 3 227.356 -0.386 20 0 BBADHO [NH2+]=C(NCCNc1ccncc1)N1CCOCC1 ZINC000848995188 588428781 /nfs/dbraw/zinc/42/87/81/588428781.db2.gz COQUEZMWNRAHBD-UHFFFAOYSA-N 1 3 249.318 -0.228 20 0 BBADHO COCCNC(=[NH2+])NCCNc1ccncc1 ZINC000848995442 588428481 /nfs/dbraw/zinc/42/84/81/588428481.db2.gz XEZVQGWOEUTRAJ-UHFFFAOYSA-N 1 3 237.307 -0.324 20 0 BBADHO CC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000849019052 588438197 /nfs/dbraw/zinc/43/81/97/588438197.db2.gz FAULMIFSUCBWTR-GXSJLCMTSA-N 1 3 228.340 -0.035 20 0 BBADHO CC[C@@H](C)NC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000849019053 588438146 /nfs/dbraw/zinc/43/81/46/588438146.db2.gz FAULMIFSUCBWTR-KOLCDFICSA-N 1 3 228.340 -0.035 20 0 BBADHO CC[C@@H](C)NC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000849019054 588437997 /nfs/dbraw/zinc/43/79/97/588437997.db2.gz FAULMIFSUCBWTR-MWLCHTKSSA-N 1 3 228.340 -0.035 20 0 BBADHO CC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000849019055 582827819 /nfs/dbraw/zinc/82/78/19/582827819.db2.gz FAULMIFSUCBWTR-ONGXEEELSA-N 1 3 228.340 -0.035 20 0 BBADHO CN1CC[C@](O)(CNC(=[NH2+])N2CCC2)C1 ZINC000849019073 588438289 /nfs/dbraw/zinc/43/82/89/588438289.db2.gz GFZYXGIQPBSUOE-JTQLQIEISA-N 1 3 212.297 -0.717 20 0 BBADHO CN1CC[C@@](O)(CNC(=[NH2+])N2CCC2)C1 ZINC000849019074 588438314 /nfs/dbraw/zinc/43/83/14/588438314.db2.gz GFZYXGIQPBSUOE-SNVBAGLBSA-N 1 3 212.297 -0.717 20 0 BBADHO CCCCNC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000849019211 588438219 /nfs/dbraw/zinc/43/82/19/588438219.db2.gz SDILETXRSQYZLX-LLVKDONJSA-N 1 3 228.340 -0.033 20 0 BBADHO CCCCNC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000849019212 588438152 /nfs/dbraw/zinc/43/81/52/588438152.db2.gz SDILETXRSQYZLX-NSHDSACASA-N 1 3 228.340 -0.033 20 0 BBADHO CN1CC[C@@](O)(CNC(=[NH2+])NC2CCC2)C1 ZINC000849019213 588438031 /nfs/dbraw/zinc/43/80/31/588438031.db2.gz SEGUJSROWXMIQW-LLVKDONJSA-N 1 3 226.324 -0.281 20 0 BBADHO CN1CC[C@](O)(CNC(=[NH2+])NC2CCC2)C1 ZINC000849019214 588438039 /nfs/dbraw/zinc/43/80/39/588438039.db2.gz SEGUJSROWXMIQW-NSHDSACASA-N 1 3 226.324 -0.281 20 0 BBADHO COC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000849019229 588438056 /nfs/dbraw/zinc/43/80/56/588438056.db2.gz ULHXWNCXOIQHFN-GXSJLCMTSA-N 1 3 244.339 -0.798 20 0 BBADHO COC[C@@H](C)NC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000849019230 588438298 /nfs/dbraw/zinc/43/82/98/588438298.db2.gz ULHXWNCXOIQHFN-KOLCDFICSA-N 1 3 244.339 -0.798 20 0 BBADHO COC[C@@H](C)NC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000849019231 588438238 /nfs/dbraw/zinc/43/82/38/588438238.db2.gz ULHXWNCXOIQHFN-MWLCHTKSSA-N 1 3 244.339 -0.798 20 0 BBADHO COC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000849019232 588438281 /nfs/dbraw/zinc/43/82/81/588438281.db2.gz ULHXWNCXOIQHFN-ONGXEEELSA-N 1 3 244.339 -0.798 20 0 BBADHO CCN(CC)C(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000849019276 588438243 /nfs/dbraw/zinc/43/82/43/588438243.db2.gz YZAJAOBYVXQMTI-LLVKDONJSA-N 1 3 228.340 -0.081 20 0 BBADHO CCN(CC)C(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000849019277 588438327 /nfs/dbraw/zinc/43/83/27/588438327.db2.gz YZAJAOBYVXQMTI-NSHDSACASA-N 1 3 228.340 -0.081 20 0 BBADHO C[C@@H]1CN(CCCNC(N)=[NH2+])CCCO1 ZINC000849022482 588439448 /nfs/dbraw/zinc/43/94/48/588439448.db2.gz CZNDZJDMSQNILW-SECBINFHSA-N 1 3 214.313 -0.030 20 0 BBADHO C[C@H]1CN(CCCNC(N)=[NH2+])CCCO1 ZINC000849022483 588439420 /nfs/dbraw/zinc/43/94/20/588439420.db2.gz CZNDZJDMSQNILW-VIFPVBQESA-N 1 3 214.313 -0.030 20 0 BBADHO CNC(=[NH2+])NCCN1CCN(C)C(C)(C)C1 ZINC000849026891 588441040 /nfs/dbraw/zinc/44/10/40/588441040.db2.gz YNMVWQLLNVZOJG-UHFFFAOYSA-N 1 3 227.356 -0.244 20 0 BBADHO CN(C)CCN(C)CCCNC(=[NH2+])N(C)C ZINC000849028132 588441603 /nfs/dbraw/zinc/44/16/03/588441603.db2.gz FZOFJTCMVXBCRB-UHFFFAOYSA-N 1 3 229.372 -0.044 20 0 BBADHO CNC(=[NH2+])NCCCN(C)CCN(C)C ZINC000849028349 588441402 /nfs/dbraw/zinc/44/14/02/588441402.db2.gz RUZZCXMOQMIMSV-UHFFFAOYSA-N 1 3 215.345 -0.386 20 0 BBADHO COCCNC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030371 588442418 /nfs/dbraw/zinc/44/24/18/588442418.db2.gz MBPPQYAEYGAEDW-SECBINFHSA-N 1 3 216.329 -0.056 20 0 BBADHO COCCNC(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030372 588442487 /nfs/dbraw/zinc/44/24/87/588442487.db2.gz MBPPQYAEYGAEDW-VIFPVBQESA-N 1 3 216.329 -0.056 20 0 BBADHO NC(=[NH2+])NC[C@H]1CCCN1CCCO ZINC000849034068 588444287 /nfs/dbraw/zinc/44/42/87/588444287.db2.gz KBUIVDQYFCNVAL-MRVPVSSYSA-N 1 3 200.286 -0.684 20 0 BBADHO NC(=[NH2+])NC[C@@H]1CCCN1CCCO ZINC000849034069 588443844 /nfs/dbraw/zinc/44/38/44/588443844.db2.gz KBUIVDQYFCNVAL-QMMMGPOBSA-N 1 3 200.286 -0.684 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H]2C[C@H]2[NH3+])CC[C@H]1F ZINC000851647124 588612793 /nfs/dbraw/zinc/61/27/93/588612793.db2.gz DOLNXJQOLDLOAH-LXGUWJNJSA-N 1 3 201.245 -0.769 20 0 BBADHO CC[NH2+]CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851648818 588613255 /nfs/dbraw/zinc/61/32/55/588613255.db2.gz OUTNXXYXBKQBSW-HTQZYQBOSA-N 1 3 203.261 -0.506 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851663709 588613740 /nfs/dbraw/zinc/61/37/40/588613740.db2.gz GXOHHYRTKOYORE-XLPZGREQSA-N 1 3 218.276 -0.586 20 0 BBADHO O[C@@H](CN1CCCC1)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536736 588689124 /nfs/dbraw/zinc/68/91/24/588689124.db2.gz HMQOATZAJBXIAP-RWMBFGLXSA-N 1 3 240.347 -0.100 20 0 BBADHO O[C@@H](CN1CCCC1)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536736 588689123 /nfs/dbraw/zinc/68/91/23/588689123.db2.gz HMQOATZAJBXIAP-RWMBFGLXSA-N 1 3 240.347 -0.100 20 0 BBADHO O[C@H](CN1CCCC1)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536737 588689116 /nfs/dbraw/zinc/68/91/16/588689116.db2.gz HMQOATZAJBXIAP-YNEHKIRRSA-N 1 3 240.347 -0.100 20 0 BBADHO O[C@H](CN1CCCC1)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536737 588689115 /nfs/dbraw/zinc/68/91/15/588689115.db2.gz HMQOATZAJBXIAP-YNEHKIRRSA-N 1 3 240.347 -0.100 20 0 BBADHO [NH3+]C[C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000852744198 588699122 /nfs/dbraw/zinc/69/91/22/588699122.db2.gz VEVNDMYVMHUIIC-GHMZBOCLSA-N 1 3 213.325 -0.355 20 0 BBADHO [NH3+]C[C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000852744199 588699087 /nfs/dbraw/zinc/69/90/87/588699087.db2.gz VEVNDMYVMHUIIC-MNOVXSKESA-N 1 3 213.325 -0.355 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000852744200 588699081 /nfs/dbraw/zinc/69/90/81/588699081.db2.gz VEVNDMYVMHUIIC-QWRGUYRKSA-N 1 3 213.325 -0.355 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000852744201 588699071 /nfs/dbraw/zinc/69/90/71/588699071.db2.gz VEVNDMYVMHUIIC-WDEREUQCSA-N 1 3 213.325 -0.355 20 0 BBADHO FC(F)[C@H]1C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000852749866 588698592 /nfs/dbraw/zinc/69/85/92/588698592.db2.gz QKKYGMLNMTVIPR-RKDXNWHRSA-N 1 3 235.278 -0.486 20 0 BBADHO C([C@H]1CNCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852749901 588700204 /nfs/dbraw/zinc/70/02/04/588700204.db2.gz QZGYTQSXWXDQGO-MXWKQRLJSA-N 1 3 211.309 -0.732 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852749902 588700006 /nfs/dbraw/zinc/70/00/06/588700006.db2.gz QZGYTQSXWXDQGO-VWYCJHECSA-N 1 3 211.309 -0.732 20 0 BBADHO C([C@H]1CNCCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750651 588699903 /nfs/dbraw/zinc/69/99/03/588699903.db2.gz BIZGEXRMJKFSDZ-NEPJUHHUSA-N 1 3 225.336 -0.197 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750652 588699957 /nfs/dbraw/zinc/69/99/57/588699957.db2.gz BIZGEXRMJKFSDZ-NWDGAFQWSA-N 1 3 225.336 -0.197 20 0 BBADHO C([C@@H]1CNCCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750653 588700019 /nfs/dbraw/zinc/70/00/19/588700019.db2.gz BIZGEXRMJKFSDZ-RYUDHWBXSA-N 1 3 225.336 -0.197 20 0 BBADHO C([C@H]1CNCCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750654 588700199 /nfs/dbraw/zinc/70/01/99/588700199.db2.gz BIZGEXRMJKFSDZ-VXGBXAGGSA-N 1 3 225.336 -0.197 20 0 BBADHO [NH3+]CCOCCN1CCC2=C(CCC(=O)N2)C1 ZINC000852753837 588700695 /nfs/dbraw/zinc/70/06/95/588700695.db2.gz JBWQIOAZBQNBEJ-UHFFFAOYSA-N 1 3 239.319 -0.169 20 0 BBADHO [NH3+]CCOCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852755235 588700624 /nfs/dbraw/zinc/70/06/24/588700624.db2.gz IHJGKZSEMVNVMZ-JTQLQIEISA-N 1 3 243.307 -0.512 20 0 BBADHO [NH3+]CCOCCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852755236 588700552 /nfs/dbraw/zinc/70/05/52/588700552.db2.gz IHJGKZSEMVNVMZ-SNVBAGLBSA-N 1 3 243.307 -0.512 20 0 BBADHO COC(=O)NC1CCN(CCOCC[NH3+])CC1 ZINC000852761739 588701098 /nfs/dbraw/zinc/70/10/98/588701098.db2.gz SUSOZODNEJAZTL-UHFFFAOYSA-N 1 3 245.323 -0.218 20 0 BBADHO NC[C@H]1CC(C(=O)N2CCC[C@@H]([NH3+])C2)=NO1 ZINC000852790462 588702932 /nfs/dbraw/zinc/70/29/32/588702932.db2.gz RAEJBXARXHCPLQ-HTQZYQBOSA-N 1 3 226.280 -0.960 20 0 BBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H]([NH3+])C2)=NO1 ZINC000852790467 588703085 /nfs/dbraw/zinc/70/30/85/588703085.db2.gz RAEJBXARXHCPLQ-SFYZADRCSA-N 1 3 226.280 -0.960 20 0 BBADHO NC[C@H]1CC(C(=O)N2CCC(C[NH3+])CC2)=NO1 ZINC000852791552 588703079 /nfs/dbraw/zinc/70/30/79/588703079.db2.gz JGRPRDKSTBGJSU-SECBINFHSA-N 1 3 240.307 -0.713 20 0 BBADHO NC[C@@H]1CC(C(=O)N2CCC(C[NH3+])CC2)=NO1 ZINC000852791553 588702935 /nfs/dbraw/zinc/70/29/35/588702935.db2.gz JGRPRDKSTBGJSU-VIFPVBQESA-N 1 3 240.307 -0.713 20 0 BBADHO NC[C@H]1CC(C(=O)NCC2CC[NH2+]CC2)=NO1 ZINC000852793266 588703058 /nfs/dbraw/zinc/70/30/58/588703058.db2.gz VXCDYPHMKIIOFX-SECBINFHSA-N 1 3 240.307 -0.794 20 0 BBADHO NC[C@@H]1CC(C(=O)NCC2CC[NH2+]CC2)=NO1 ZINC000852793267 588703010 /nfs/dbraw/zinc/70/30/10/588703010.db2.gz VXCDYPHMKIIOFX-VIFPVBQESA-N 1 3 240.307 -0.794 20 0 BBADHO CC[NH2+]CCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852793382 588703117 /nfs/dbraw/zinc/70/31/17/588703117.db2.gz ZGISDKARAOLUME-MRVPVSSYSA-N 1 3 228.296 -0.794 20 0 BBADHO CC[NH2+]CCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852793383 588703318 /nfs/dbraw/zinc/70/33/18/588703318.db2.gz ZGISDKARAOLUME-QMMMGPOBSA-N 1 3 228.296 -0.794 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852794142 588703167 /nfs/dbraw/zinc/70/31/67/588703167.db2.gz MFHISTDMDDVLSZ-BDAKNGLRSA-N 1 3 240.307 -0.700 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852794143 583016817 /nfs/dbraw/zinc/01/68/17/583016817.db2.gz MFHISTDMDDVLSZ-DTWKUNHWSA-N 1 3 240.307 -0.700 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852794144 583017174 /nfs/dbraw/zinc/01/71/74/583017174.db2.gz MFHISTDMDDVLSZ-IUCAKERBSA-N 1 3 240.307 -0.700 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852794145 583017181 /nfs/dbraw/zinc/01/71/81/583017181.db2.gz MFHISTDMDDVLSZ-RKDXNWHRSA-N 1 3 240.307 -0.700 20 0 BBADHO NC[C@@H]1CC(C(=O)N2CCC[C@H](C[NH3+])C2)=NO1 ZINC000852794469 588703281 /nfs/dbraw/zinc/70/32/81/588703281.db2.gz PJRXEXSYROLGFB-BDAKNGLRSA-N 1 3 240.307 -0.713 20 0 BBADHO NC[C@H]1CC(C(=O)N2CCC[C@@H](C[NH3+])C2)=NO1 ZINC000852794470 588703192 /nfs/dbraw/zinc/70/31/92/588703192.db2.gz PJRXEXSYROLGFB-DTWKUNHWSA-N 1 3 240.307 -0.713 20 0 BBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H](C[NH3+])C2)=NO1 ZINC000852794471 588703320 /nfs/dbraw/zinc/70/33/20/588703320.db2.gz PJRXEXSYROLGFB-IUCAKERBSA-N 1 3 240.307 -0.713 20 0 BBADHO NC[C@H]1CC(C(=O)N2CCC[C@H](C[NH3+])C2)=NO1 ZINC000852794472 588703269 /nfs/dbraw/zinc/70/32/69/588703269.db2.gz PJRXEXSYROLGFB-RKDXNWHRSA-N 1 3 240.307 -0.713 20 0 BBADHO NC[C@@H]1CC(C(=O)NCC[C@H]2CC[NH2+]C2)=NO1 ZINC000852794551 588703114 /nfs/dbraw/zinc/70/31/14/588703114.db2.gz AJRNWCTZBPFROC-BDAKNGLRSA-N 1 3 240.307 -0.794 20 0 BBADHO NC[C@H]1CC(C(=O)NCC[C@@H]2CC[NH2+]C2)=NO1 ZINC000852794552 588703243 /nfs/dbraw/zinc/70/32/43/588703243.db2.gz AJRNWCTZBPFROC-DTWKUNHWSA-N 1 3 240.307 -0.794 20 0 BBADHO NC[C@@H]1CC(C(=O)NCC[C@@H]2CC[NH2+]C2)=NO1 ZINC000852794553 588703252 /nfs/dbraw/zinc/70/32/52/588703252.db2.gz AJRNWCTZBPFROC-IUCAKERBSA-N 1 3 240.307 -0.794 20 0 BBADHO NC[C@H]1CC(C(=O)NCC[C@H]2CC[NH2+]C2)=NO1 ZINC000852794554 588703238 /nfs/dbraw/zinc/70/32/38/588703238.db2.gz AJRNWCTZBPFROC-RKDXNWHRSA-N 1 3 240.307 -0.794 20 0 BBADHO NC[C@H]1CC(C(=O)NC2CCC([NH3+])CC2)=NO1 ZINC000852794828 588703214 /nfs/dbraw/zinc/70/32/14/588703214.db2.gz SOKJFBHVWVPGQJ-AMDVSUOASA-N 1 3 240.307 -0.524 20 0 BBADHO NC[C@@H]1CC(C(=O)NC2CCC([NH3+])CC2)=NO1 ZINC000852794839 588703165 /nfs/dbraw/zinc/70/31/65/588703165.db2.gz SOKJFBHVWVPGQJ-HACHORDNSA-N 1 3 240.307 -0.524 20 0 BBADHO NC[C@@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]C2)=NO1 ZINC000852795158 588703433 /nfs/dbraw/zinc/70/34/33/588703433.db2.gz VZXOQFAOROXTFQ-BDAKNGLRSA-N 1 3 240.307 -0.794 20 0 BBADHO NC[C@H]1CC(C(=O)NC[C@H]2CCC[NH2+]C2)=NO1 ZINC000852795160 588703531 /nfs/dbraw/zinc/70/35/31/588703531.db2.gz VZXOQFAOROXTFQ-DTWKUNHWSA-N 1 3 240.307 -0.794 20 0 BBADHO NC[C@@H]1CC(C(=O)NC[C@H]2CCC[NH2+]C2)=NO1 ZINC000852795164 588703442 /nfs/dbraw/zinc/70/34/42/588703442.db2.gz VZXOQFAOROXTFQ-IUCAKERBSA-N 1 3 240.307 -0.794 20 0 BBADHO NC[C@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]C2)=NO1 ZINC000852795167 588703349 /nfs/dbraw/zinc/70/33/49/588703349.db2.gz VZXOQFAOROXTFQ-RKDXNWHRSA-N 1 3 240.307 -0.794 20 0 BBADHO NC[C@@H]1CC(C(=O)NC[C@H]2CCCC[NH2+]2)=NO1 ZINC000852795389 588703579 /nfs/dbraw/zinc/70/35/79/588703579.db2.gz XUEWKFHXTYKLFU-BDAKNGLRSA-N 1 3 240.307 -0.652 20 0 BBADHO NC[C@H]1CC(C(=O)NC[C@@H]2CCCC[NH2+]2)=NO1 ZINC000852795391 588703396 /nfs/dbraw/zinc/70/33/96/588703396.db2.gz XUEWKFHXTYKLFU-DTWKUNHWSA-N 1 3 240.307 -0.652 20 0 BBADHO NC[C@@H]1CC(C(=O)NC[C@@H]2CCCC[NH2+]2)=NO1 ZINC000852795393 588703373 /nfs/dbraw/zinc/70/33/73/588703373.db2.gz XUEWKFHXTYKLFU-IUCAKERBSA-N 1 3 240.307 -0.652 20 0 BBADHO NC[C@H]1CC(C(=O)NC[C@H]2CCCC[NH2+]2)=NO1 ZINC000852795395 588703588 /nfs/dbraw/zinc/70/35/88/588703588.db2.gz XUEWKFHXTYKLFU-RKDXNWHRSA-N 1 3 240.307 -0.652 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852795575 588703362 /nfs/dbraw/zinc/70/33/62/588703362.db2.gz IMUKDYVRRGHCCF-SECBINFHSA-N 1 3 242.323 -0.406 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852795577 588703586 /nfs/dbraw/zinc/70/35/86/588703586.db2.gz IMUKDYVRRGHCCF-VIFPVBQESA-N 1 3 242.323 -0.406 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852796384 588703399 /nfs/dbraw/zinc/70/33/99/588703399.db2.gz CZSIDINEIPPRFE-MRVPVSSYSA-N 1 3 242.323 -0.276 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852796389 588703385 /nfs/dbraw/zinc/70/33/85/588703385.db2.gz CZSIDINEIPPRFE-QMMMGPOBSA-N 1 3 242.323 -0.276 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852796882 588703577 /nfs/dbraw/zinc/70/35/77/588703577.db2.gz IOVHPOXYAZLPOO-BDAKNGLRSA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852796883 588703394 /nfs/dbraw/zinc/70/33/94/588703394.db2.gz IOVHPOXYAZLPOO-DTWKUNHWSA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852796884 583017381 /nfs/dbraw/zinc/01/73/81/583017381.db2.gz IOVHPOXYAZLPOO-IUCAKERBSA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852796885 583017798 /nfs/dbraw/zinc/01/77/98/583017798.db2.gz IOVHPOXYAZLPOO-RKDXNWHRSA-N 1 3 242.323 -0.420 20 0 BBADHO NC[C@H]1CC(C(=O)NC2(C[NH3+])CCCC2)=NO1 ZINC000852797369 588703650 /nfs/dbraw/zinc/70/36/50/588703650.db2.gz QEDJWIKVWYOYJO-MRVPVSSYSA-N 1 3 240.307 -0.522 20 0 BBADHO NC[C@@H]1CC(C(=O)NC2(C[NH3+])CCCC2)=NO1 ZINC000852797370 588703822 /nfs/dbraw/zinc/70/38/22/588703822.db2.gz QEDJWIKVWYOYJO-QMMMGPOBSA-N 1 3 240.307 -0.522 20 0 BBADHO C[C@](C[NH3+])(NC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852797450 588703765 /nfs/dbraw/zinc/70/37/65/588703765.db2.gz SXWKXTLXDAEWET-GZMMTYOYSA-N 1 3 240.307 -0.666 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852797451 588703726 /nfs/dbraw/zinc/70/37/26/588703726.db2.gz SXWKXTLXDAEWET-KCJUWKMLSA-N 1 3 240.307 -0.666 20 0 BBADHO C[C@@](C[NH3+])(NC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852797452 588703855 /nfs/dbraw/zinc/70/38/55/588703855.db2.gz SXWKXTLXDAEWET-KWQFWETISA-N 1 3 240.307 -0.666 20 0 BBADHO C[C@](C[NH3+])(NC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852797453 588703886 /nfs/dbraw/zinc/70/38/86/588703886.db2.gz SXWKXTLXDAEWET-LDYMZIIASA-N 1 3 240.307 -0.666 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@@H](C)N1 ZINC000852797519 588703879 /nfs/dbraw/zinc/70/38/79/588703879.db2.gz VJJFMYODKCVGMS-HLTSFMKQSA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H](C)N1 ZINC000852797520 588703740 /nfs/dbraw/zinc/70/37/40/588703740.db2.gz VJJFMYODKCVGMS-HRDYMLBCSA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@@H](C)N1 ZINC000852797521 588703657 /nfs/dbraw/zinc/70/36/57/588703657.db2.gz VJJFMYODKCVGMS-IWSPIJDZSA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@H](C)N1 ZINC000852797522 588703818 /nfs/dbraw/zinc/70/38/18/588703818.db2.gz VJJFMYODKCVGMS-YIZRAAEISA-N 1 3 240.307 -0.701 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852797757 588703769 /nfs/dbraw/zinc/70/37/69/588703769.db2.gz ARBRWKDBWWHMFT-MRVPVSSYSA-N 1 3 242.323 -0.276 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852797758 588703648 /nfs/dbraw/zinc/70/36/48/588703648.db2.gz ARBRWKDBWWHMFT-QMMMGPOBSA-N 1 3 242.323 -0.276 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852798446 588703794 /nfs/dbraw/zinc/70/37/94/588703794.db2.gz KNYJAOOLABLECC-BDAKNGLRSA-N 1 3 240.307 -0.700 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852798447 588703624 /nfs/dbraw/zinc/70/36/24/588703624.db2.gz KNYJAOOLABLECC-DTWKUNHWSA-N 1 3 240.307 -0.700 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852798448 588703788 /nfs/dbraw/zinc/70/37/88/588703788.db2.gz KNYJAOOLABLECC-IUCAKERBSA-N 1 3 240.307 -0.700 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852798449 588703858 /nfs/dbraw/zinc/70/38/58/588703858.db2.gz KNYJAOOLABLECC-RKDXNWHRSA-N 1 3 240.307 -0.700 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852798814 588703985 /nfs/dbraw/zinc/70/39/85/588703985.db2.gz BPGRHXRMFZGLQF-BDAKNGLRSA-N 1 3 242.323 -0.276 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852798819 588704001 /nfs/dbraw/zinc/70/40/01/588704001.db2.gz BPGRHXRMFZGLQF-DTWKUNHWSA-N 1 3 242.323 -0.276 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852798823 588703899 /nfs/dbraw/zinc/70/38/99/588703899.db2.gz BPGRHXRMFZGLQF-IUCAKERBSA-N 1 3 242.323 -0.276 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852798826 583017628 /nfs/dbraw/zinc/01/76/28/583017628.db2.gz BPGRHXRMFZGLQF-RKDXNWHRSA-N 1 3 242.323 -0.276 20 0 BBADHO CC1(C)CNCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852799028 588703953 /nfs/dbraw/zinc/70/39/53/588703953.db2.gz PWNOWPNDFAAFPN-MRVPVSSYSA-N 1 3 240.307 -0.700 20 0 BBADHO CC1(C)CNCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852799031 588704133 /nfs/dbraw/zinc/70/41/33/588704133.db2.gz PWNOWPNDFAAFPN-QMMMGPOBSA-N 1 3 240.307 -0.700 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852799464 588703931 /nfs/dbraw/zinc/70/39/31/588703931.db2.gz UCKAQFSYYOGMPR-HTQZYQBOSA-N 1 3 228.296 -0.811 20 0 BBADHO CC(C)[C@H]([NH3+])CNC(=O)C1=NO[C@H](CN)C1 ZINC000852799465 588703929 /nfs/dbraw/zinc/70/39/29/588703929.db2.gz UCKAQFSYYOGMPR-JGVFFNPUSA-N 1 3 228.296 -0.811 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852799467 588704096 /nfs/dbraw/zinc/70/40/96/588704096.db2.gz UCKAQFSYYOGMPR-SFYZADRCSA-N 1 3 228.296 -0.811 20 0 BBADHO CC(C)[C@@H]([NH3+])CNC(=O)C1=NO[C@H](CN)C1 ZINC000852799468 588704049 /nfs/dbraw/zinc/70/40/49/588704049.db2.gz UCKAQFSYYOGMPR-YUMQZZPRSA-N 1 3 228.296 -0.811 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)C1=NO[C@@H](CN)C1 ZINC000852799663 588704034 /nfs/dbraw/zinc/70/40/34/588704034.db2.gz VWCDTYFBLXZZSJ-MRVPVSSYSA-N 1 3 242.323 -0.467 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)C1=NO[C@H](CN)C1 ZINC000852799665 588704073 /nfs/dbraw/zinc/70/40/73/588704073.db2.gz VWCDTYFBLXZZSJ-QMMMGPOBSA-N 1 3 242.323 -0.467 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CC[C@@H]1[NH3+] ZINC000852800427 588704183 /nfs/dbraw/zinc/70/41/83/588704183.db2.gz YORRYXFTFPPKSM-HLTSFMKQSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CC[C@H]1[NH3+] ZINC000852800428 588704306 /nfs/dbraw/zinc/70/43/06/588704306.db2.gz YORRYXFTFPPKSM-HRDYMLBCSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CC[C@H]1[NH3+] ZINC000852800429 588704377 /nfs/dbraw/zinc/70/43/77/588704377.db2.gz YORRYXFTFPPKSM-IWSPIJDZSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CC[C@@H]1[NH3+] ZINC000852800430 588704241 /nfs/dbraw/zinc/70/42/41/588704241.db2.gz YORRYXFTFPPKSM-VGMNWLOBSA-N 1 3 240.307 -0.714 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852800442 588704186 /nfs/dbraw/zinc/70/41/86/588704186.db2.gz YSHNOBHENHXIOQ-GZMMTYOYSA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852800443 588704169 /nfs/dbraw/zinc/70/41/69/588704169.db2.gz YSHNOBHENHXIOQ-KCJUWKMLSA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852800444 588704299 /nfs/dbraw/zinc/70/42/99/588704299.db2.gz YSHNOBHENHXIOQ-KWQFWETISA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852800445 588704212 /nfs/dbraw/zinc/70/42/12/588704212.db2.gz YSHNOBHENHXIOQ-LDYMZIIASA-N 1 3 242.323 -0.420 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1NCC12CCCC2 ZINC000852824765 588705680 /nfs/dbraw/zinc/70/56/80/588705680.db2.gz BGLNFMPUTFVBEM-NXEZZACHSA-N 1 3 223.320 -0.003 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1NCC12CCCC2 ZINC000852824766 588705633 /nfs/dbraw/zinc/70/56/33/588705633.db2.gz BGLNFMPUTFVBEM-UWVGGRQHSA-N 1 3 223.320 -0.003 20 0 BBADHO O=C(N[C@H]1CC[NH2+]C1)[C@H]1NCC12CCCC2 ZINC000852824767 588705915 /nfs/dbraw/zinc/70/59/15/588705915.db2.gz BGLNFMPUTFVBEM-VHSXEESVSA-N 1 3 223.320 -0.003 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1NCC12CCCC2 ZINC000852824768 588705677 /nfs/dbraw/zinc/70/56/77/588705677.db2.gz BGLNFMPUTFVBEM-ZJUUUORDSA-N 1 3 223.320 -0.003 20 0 BBADHO CC[NH2+]CCNC(=O)[C@@H]1NCC12CCOCC2 ZINC000852825173 588705940 /nfs/dbraw/zinc/70/59/40/588705940.db2.gz LKRBVZAAQQRQHK-JTQLQIEISA-N 1 3 241.335 -0.519 20 0 BBADHO CC[NH2+]CCNC(=O)[C@H]1NCC12CCOCC2 ZINC000852825183 588705962 /nfs/dbraw/zinc/70/59/62/588705962.db2.gz LKRBVZAAQQRQHK-SNVBAGLBSA-N 1 3 241.335 -0.519 20 0 BBADHO CC(C)NCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852832727 588706852 /nfs/dbraw/zinc/70/68/52/588706852.db2.gz FNDQBFQELFSJSS-ZJUUUORDSA-N 1 3 211.309 -0.195 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)[C@]1(F)CCNC1 ZINC000852842153 588707693 /nfs/dbraw/zinc/70/76/93/588707693.db2.gz RHJDDPHMIBDRSZ-JTQLQIEISA-N 1 3 217.288 -0.116 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)[C@@]1(F)CCNC1 ZINC000852842154 588707624 /nfs/dbraw/zinc/70/76/24/588707624.db2.gz RHJDDPHMIBDRSZ-SNVBAGLBSA-N 1 3 217.288 -0.116 20 0 BBADHO CC[NH+](CC)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852854283 588708642 /nfs/dbraw/zinc/70/86/42/588708642.db2.gz CAJZZXGKEDTETO-SECBINFHSA-N 1 3 242.323 -0.452 20 0 BBADHO CC[NH+](CC)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852854284 588708661 /nfs/dbraw/zinc/70/86/61/588708661.db2.gz CAJZZXGKEDTETO-VIFPVBQESA-N 1 3 242.323 -0.452 20 0 BBADHO C[NH+](C)C(C)(C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852854642 588708508 /nfs/dbraw/zinc/70/85/08/588708508.db2.gz LTZDJLRMYLZYTO-MRVPVSSYSA-N 1 3 242.323 -0.454 20 0 BBADHO C[NH+](C)C(C)(C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852854643 588708711 /nfs/dbraw/zinc/70/87/11/588708711.db2.gz LTZDJLRMYLZYTO-QMMMGPOBSA-N 1 3 242.323 -0.454 20 0 BBADHO C[NH+](C)CCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852856455 583021080 /nfs/dbraw/zinc/02/10/80/583021080.db2.gz QOAFUNXKMVEPDP-MRVPVSSYSA-N 1 3 228.296 -0.842 20 0 BBADHO C[NH+](C)CCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852856456 583021172 /nfs/dbraw/zinc/02/11/72/583021172.db2.gz QOAFUNXKMVEPDP-QMMMGPOBSA-N 1 3 228.296 -0.842 20 0 BBADHO [NH3+]CC12CC(C1)CN2C(=O)[C@@]1(F)CCNC1 ZINC000852858787 588708728 /nfs/dbraw/zinc/70/87/28/588708728.db2.gz HFAQHIQHAZBOKB-BOBPJJCASA-N 1 3 227.283 -0.362 20 0 BBADHO [NH3+]CC12CC(C1)CN2C(=O)[C@]1(F)CCNC1 ZINC000852858788 588708888 /nfs/dbraw/zinc/70/88/88/588708888.db2.gz HFAQHIQHAZBOKB-RFBVYIQQSA-N 1 3 227.283 -0.362 20 0 BBADHO C[NH+](C)CCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852858805 588708787 /nfs/dbraw/zinc/70/87/87/588708787.db2.gz HZGWBNZIDYCBAV-SECBINFHSA-N 1 3 242.323 -0.452 20 0 BBADHO C[NH+](C)CCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852858806 588709010 /nfs/dbraw/zinc/70/90/10/588709010.db2.gz HZGWBNZIDYCBAV-VIFPVBQESA-N 1 3 242.323 -0.452 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852859022 588708886 /nfs/dbraw/zinc/70/88/86/588708886.db2.gz MGQDYYADEHKGJG-BDAKNGLRSA-N 1 3 240.307 -0.842 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852859022 588708885 /nfs/dbraw/zinc/70/88/85/588708885.db2.gz MGQDYYADEHKGJG-BDAKNGLRSA-N 1 3 240.307 -0.842 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852859023 588708794 /nfs/dbraw/zinc/70/87/94/588708794.db2.gz MGQDYYADEHKGJG-DTWKUNHWSA-N 1 3 240.307 -0.842 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852859023 588708793 /nfs/dbraw/zinc/70/87/93/588708793.db2.gz MGQDYYADEHKGJG-DTWKUNHWSA-N 1 3 240.307 -0.842 20 0 BBADHO C[N@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852859024 588708940 /nfs/dbraw/zinc/70/89/40/588708940.db2.gz MGQDYYADEHKGJG-IUCAKERBSA-N 1 3 240.307 -0.842 20 0 BBADHO C[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852859024 588708939 /nfs/dbraw/zinc/70/89/39/588708939.db2.gz MGQDYYADEHKGJG-IUCAKERBSA-N 1 3 240.307 -0.842 20 0 BBADHO C[N@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852859025 588708864 /nfs/dbraw/zinc/70/88/64/588708864.db2.gz MGQDYYADEHKGJG-RKDXNWHRSA-N 1 3 240.307 -0.842 20 0 BBADHO C[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852859025 588708863 /nfs/dbraw/zinc/70/88/63/588708863.db2.gz MGQDYYADEHKGJG-RKDXNWHRSA-N 1 3 240.307 -0.842 20 0 BBADHO CN1CCC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852861854 583021313 /nfs/dbraw/zinc/02/13/13/583021313.db2.gz LEPXIZQLYPABLD-RKDXNWHRSA-N 1 3 240.307 -0.700 20 0 BBADHO C[C@H](CNC(=O)C1=NO[C@@H](CN)C1)[NH+](C)C ZINC000852862261 588709227 /nfs/dbraw/zinc/70/92/27/588709227.db2.gz YJCWSMOWOLVIAZ-HTQZYQBOSA-N 1 3 228.296 -0.844 20 0 BBADHO C[C@@H](CNC(=O)C1=NO[C@@H](CN)C1)[NH+](C)C ZINC000852862262 588709249 /nfs/dbraw/zinc/70/92/49/588709249.db2.gz YJCWSMOWOLVIAZ-JGVFFNPUSA-N 1 3 228.296 -0.844 20 0 BBADHO C[C@H](CNC(=O)C1=NO[C@H](CN)C1)[NH+](C)C ZINC000852862263 588709092 /nfs/dbraw/zinc/70/90/92/588709092.db2.gz YJCWSMOWOLVIAZ-SFYZADRCSA-N 1 3 228.296 -0.844 20 0 BBADHO C[C@@H](CNC(=O)C1=NO[C@H](CN)C1)[NH+](C)C ZINC000852862264 588709359 /nfs/dbraw/zinc/70/93/59/588709359.db2.gz YJCWSMOWOLVIAZ-YUMQZZPRSA-N 1 3 228.296 -0.844 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852862385 588709335 /nfs/dbraw/zinc/70/93/35/588709335.db2.gz CITKMXOISOJPEF-BDAKNGLRSA-N 1 3 242.323 -0.454 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852862386 588709146 /nfs/dbraw/zinc/70/91/46/588709146.db2.gz CITKMXOISOJPEF-DTWKUNHWSA-N 1 3 242.323 -0.454 20 0 BBADHO C[C@@H](CC[NH+](C)C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852862387 588709331 /nfs/dbraw/zinc/70/93/31/588709331.db2.gz CITKMXOISOJPEF-IUCAKERBSA-N 1 3 242.323 -0.454 20 0 BBADHO C[C@H](CC[NH+](C)C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852862388 588709316 /nfs/dbraw/zinc/70/93/16/588709316.db2.gz CITKMXOISOJPEF-RKDXNWHRSA-N 1 3 242.323 -0.454 20 0 BBADHO CCCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852863956 588709283 /nfs/dbraw/zinc/70/92/83/588709283.db2.gz LYVXRCDSFOBLFN-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852863985 588709202 /nfs/dbraw/zinc/70/92/02/588709202.db2.gz LYVXRCDSFOBLFN-BBBLOLIVSA-N 1 3 211.309 -0.066 20 0 BBADHO CC(C)[N@@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852864602 588709552 /nfs/dbraw/zinc/70/95/52/588709552.db2.gz BHQGFAYWSPDSLR-SECBINFHSA-N 1 3 242.323 -0.454 20 0 BBADHO CC(C)[N@H+](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852864602 588709551 /nfs/dbraw/zinc/70/95/51/588709551.db2.gz BHQGFAYWSPDSLR-SECBINFHSA-N 1 3 242.323 -0.454 20 0 BBADHO CC(C)[N@@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852864603 588709659 /nfs/dbraw/zinc/70/96/59/588709659.db2.gz BHQGFAYWSPDSLR-VIFPVBQESA-N 1 3 242.323 -0.454 20 0 BBADHO CC(C)[N@H+](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852864603 588709658 /nfs/dbraw/zinc/70/96/58/588709658.db2.gz BHQGFAYWSPDSLR-VIFPVBQESA-N 1 3 242.323 -0.454 20 0 BBADHO O=C(NCC12CC(C1)C[NH2+]2)[C@@]1(F)CCNC1 ZINC000852865536 588709677 /nfs/dbraw/zinc/70/96/77/588709677.db2.gz GVPOXUHTAFKXKI-BOBPJJCASA-N 1 3 227.283 -0.444 20 0 BBADHO O=C(NCC12CC(C1)C[NH2+]2)[C@]1(F)CCNC1 ZINC000852865537 588709396 /nfs/dbraw/zinc/70/93/96/588709396.db2.gz GVPOXUHTAFKXKI-RFBVYIQQSA-N 1 3 227.283 -0.444 20 0 BBADHO C[C@H](NC1CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000852865561 588709575 /nfs/dbraw/zinc/70/95/75/588709575.db2.gz HZIIFQQTFQGTGE-QTZUAFFRSA-N 1 3 223.320 -0.005 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000852865562 588709580 /nfs/dbraw/zinc/70/95/80/588709580.db2.gz HZIIFQQTFQGTGE-YDNLMGDJSA-N 1 3 223.320 -0.005 20 0 BBADHO N[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[C@H]1F ZINC000852870775 588709649 /nfs/dbraw/zinc/70/96/49/588709649.db2.gz XTIOXIYTZUZDFI-MRTMQBJTSA-N 1 3 233.262 -0.414 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[C@H]1F ZINC000852870776 588709519 /nfs/dbraw/zinc/70/95/19/588709519.db2.gz XTIOXIYTZUZDFI-NQMVMOMDSA-N 1 3 233.262 -0.414 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H](C)CN1 ZINC000852874139 588709806 /nfs/dbraw/zinc/70/98/06/588709806.db2.gz IAIMTEISOFDVKM-HLTSFMKQSA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](C)CN1 ZINC000852874140 588709949 /nfs/dbraw/zinc/70/99/49/588709949.db2.gz IAIMTEISOFDVKM-HRDYMLBCSA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C)CN1 ZINC000852874141 588709814 /nfs/dbraw/zinc/70/98/14/588709814.db2.gz IAIMTEISOFDVKM-IWSPIJDZSA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](C)CN1 ZINC000852874142 588709751 /nfs/dbraw/zinc/70/97/51/588709751.db2.gz IAIMTEISOFDVKM-VGMNWLOBSA-N 1 3 240.307 -0.701 20 0 BBADHO COCCNCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852874359 588709817 /nfs/dbraw/zinc/70/98/17/588709817.db2.gz OPHOTIGPAXVGNY-UHFFFAOYSA-N 1 3 241.335 -0.352 20 0 BBADHO CCC[NH2+]CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852874414 588709782 /nfs/dbraw/zinc/70/97/82/588709782.db2.gz OYMRSKZAZFWQOK-MRVPVSSYSA-N 1 3 228.296 -0.794 20 0 BBADHO CCC[NH2+]CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852874415 588709962 /nfs/dbraw/zinc/70/99/62/588709962.db2.gz OYMRSKZAZFWQOK-QMMMGPOBSA-N 1 3 228.296 -0.794 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1=NO[C@H](CN)C1 ZINC000852874606 588709780 /nfs/dbraw/zinc/70/97/80/588709780.db2.gz SJLODLORLRNTFY-HLTSFMKQSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852874608 588709749 /nfs/dbraw/zinc/70/97/49/588709749.db2.gz SJLODLORLRNTFY-HRDYMLBCSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852874610 588709711 /nfs/dbraw/zinc/70/97/11/588709711.db2.gz SJLODLORLRNTFY-IWSPIJDZSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1=NO[C@H](CN)C1 ZINC000852874611 588709924 /nfs/dbraw/zinc/70/99/24/588709924.db2.gz SJLODLORLRNTFY-VGMNWLOBSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852875005 588710147 /nfs/dbraw/zinc/71/01/47/588710147.db2.gz PTMLFKHGRIOIKP-CIUDSAMLSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852875006 588710012 /nfs/dbraw/zinc/71/00/12/588710012.db2.gz PTMLFKHGRIOIKP-DJLDLDEBSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852875008 588709987 /nfs/dbraw/zinc/70/99/87/588709987.db2.gz PTMLFKHGRIOIKP-XHNCKOQMSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852875010 588710080 /nfs/dbraw/zinc/71/00/80/588710080.db2.gz PTMLFKHGRIOIKP-YIZRAAEISA-N 1 3 240.307 -0.714 20 0 BBADHO NC[C@H]1CC(C(=O)NCC2([NH3+])CCC2)=NO1 ZINC000852875774 588710016 /nfs/dbraw/zinc/71/00/16/588710016.db2.gz PHEKYUMCOZLTRE-SSDOTTSWSA-N 1 3 226.280 -0.912 20 0 BBADHO NC[C@@H]1CC(C(=O)NCC2([NH3+])CCC2)=NO1 ZINC000852875775 588710175 /nfs/dbraw/zinc/71/01/75/588710175.db2.gz PHEKYUMCOZLTRE-ZETCQYMHSA-N 1 3 226.280 -0.912 20 0 BBADHO NC[C@H]1CC(C(=O)NCC2=CC[NH2+]CC2)=NO1 ZINC000852876240 588710177 /nfs/dbraw/zinc/71/01/77/588710177.db2.gz GJWSISJMODYUEL-SECBINFHSA-N 1 3 238.291 -0.874 20 0 BBADHO NC[C@@H]1CC(C(=O)NCC2=CC[NH2+]CC2)=NO1 ZINC000852876241 588710280 /nfs/dbraw/zinc/71/02/80/588710280.db2.gz GJWSISJMODYUEL-VIFPVBQESA-N 1 3 238.291 -0.874 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852876776 588710501 /nfs/dbraw/zinc/71/05/01/588710501.db2.gz SERZGBCEWKPJKT-KHQFGBGNSA-N 1 3 240.307 -0.796 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852876777 583020913 /nfs/dbraw/zinc/02/09/13/583020913.db2.gz SERZGBCEWKPJKT-MRTMQBJTSA-N 1 3 240.307 -0.796 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852876778 583021186 /nfs/dbraw/zinc/02/11/86/583021186.db2.gz SERZGBCEWKPJKT-NQMVMOMDSA-N 1 3 240.307 -0.796 20 0 BBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852876779 583021145 /nfs/dbraw/zinc/02/11/45/583021145.db2.gz SERZGBCEWKPJKT-WEDXCCLWSA-N 1 3 240.307 -0.796 20 0 BBADHO C[C@@H]1NCCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H]1C ZINC000852877602 588710567 /nfs/dbraw/zinc/71/05/67/588710567.db2.gz BTDHJAVLVKJHGJ-CIUDSAMLSA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852877603 588710428 /nfs/dbraw/zinc/71/04/28/588710428.db2.gz BTDHJAVLVKJHGJ-DJLDLDEBSA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@@H]1NCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H]1C ZINC000852877604 588710433 /nfs/dbraw/zinc/71/04/33/588710433.db2.gz BTDHJAVLVKJHGJ-XHNCKOQMSA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852877605 588710570 /nfs/dbraw/zinc/71/05/70/588710570.db2.gz BTDHJAVLVKJHGJ-YIZRAAEISA-N 1 3 240.307 -0.701 20 0 BBADHO C[C@]1(C[NH3+])CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852877694 588710483 /nfs/dbraw/zinc/71/04/83/588710483.db2.gz JJEFSBHOSVPOOF-GZMMTYOYSA-N 1 3 240.307 -0.713 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852877695 588710356 /nfs/dbraw/zinc/71/03/56/588710356.db2.gz JJEFSBHOSVPOOF-KCJUWKMLSA-N 1 3 240.307 -0.713 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852877696 588710490 /nfs/dbraw/zinc/71/04/90/588710490.db2.gz JJEFSBHOSVPOOF-KWQFWETISA-N 1 3 240.307 -0.713 20 0 BBADHO C[C@]1(C[NH3+])CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852877697 588710349 /nfs/dbraw/zinc/71/03/49/588710349.db2.gz JJEFSBHOSVPOOF-LDYMZIIASA-N 1 3 240.307 -0.713 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852878112 588710519 /nfs/dbraw/zinc/71/05/19/588710519.db2.gz IKSDTPROYRQMBL-HLTSFMKQSA-N 1 3 240.307 -0.796 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852878113 588710364 /nfs/dbraw/zinc/71/03/64/588710364.db2.gz IKSDTPROYRQMBL-HRDYMLBCSA-N 1 3 240.307 -0.796 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852878114 588710325 /nfs/dbraw/zinc/71/03/25/588710325.db2.gz IKSDTPROYRQMBL-IWSPIJDZSA-N 1 3 240.307 -0.796 20 0 BBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852878115 588710503 /nfs/dbraw/zinc/71/05/03/588710503.db2.gz IKSDTPROYRQMBL-VGMNWLOBSA-N 1 3 240.307 -0.796 20 0 BBADHO NC[C@@H]1CC(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)=NO1 ZINC000852878433 588710802 /nfs/dbraw/zinc/71/08/02/588710802.db2.gz KSZNIBOQVQEFTQ-CIUDSAMLSA-N 1 3 240.307 -0.524 20 0 BBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)=NO1 ZINC000852878434 588710697 /nfs/dbraw/zinc/71/06/97/588710697.db2.gz KSZNIBOQVQEFTQ-HLTSFMKQSA-N 1 3 240.307 -0.524 20 0 BBADHO NC[C@@H]1CC(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)=NO1 ZINC000852878435 588710628 /nfs/dbraw/zinc/71/06/28/588710628.db2.gz KSZNIBOQVQEFTQ-VGMNWLOBSA-N 1 3 240.307 -0.524 20 0 BBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)=NO1 ZINC000852878436 588710750 /nfs/dbraw/zinc/71/07/50/588710750.db2.gz KSZNIBOQVQEFTQ-YIZRAAEISA-N 1 3 240.307 -0.524 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@H](CN)C2)CC[NH2+]1 ZINC000852878740 588710624 /nfs/dbraw/zinc/71/06/24/588710624.db2.gz NRGXLGZIGOJVBB-HLTSFMKQSA-N 1 3 240.307 -0.653 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](CN)C2)CC[NH2+]1 ZINC000852878741 588710765 /nfs/dbraw/zinc/71/07/65/588710765.db2.gz NRGXLGZIGOJVBB-HRDYMLBCSA-N 1 3 240.307 -0.653 20 0 BBADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](CN)C2)CC[NH2+]1 ZINC000852878742 588710648 /nfs/dbraw/zinc/71/06/48/588710648.db2.gz NRGXLGZIGOJVBB-IWSPIJDZSA-N 1 3 240.307 -0.653 20 0 BBADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@H](CN)C2)CC[NH2+]1 ZINC000852878743 588710760 /nfs/dbraw/zinc/71/07/60/588710760.db2.gz NRGXLGZIGOJVBB-VGMNWLOBSA-N 1 3 240.307 -0.653 20 0 BBADHO CC1(NC(=O)C2=NO[C@@H](CN)C2)CC[NH2+]CC1 ZINC000852878824 588710742 /nfs/dbraw/zinc/71/07/42/588710742.db2.gz PVSSNQOSWSBXBW-MRVPVSSYSA-N 1 3 240.307 -0.652 20 0 BBADHO CC1(NC(=O)C2=NO[C@H](CN)C2)CC[NH2+]CC1 ZINC000852878825 588710650 /nfs/dbraw/zinc/71/06/50/588710650.db2.gz PVSSNQOSWSBXBW-QMMMGPOBSA-N 1 3 240.307 -0.652 20 0 BBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CCC[NH2+]CC2)=NO1 ZINC000852878828 588710816 /nfs/dbraw/zinc/71/08/16/588710816.db2.gz PZXZCMALNBXVPQ-BDAKNGLRSA-N 1 3 240.307 -0.652 20 0 BBADHO NC[C@H]1CC(C(=O)N[C@H]2CCC[NH2+]CC2)=NO1 ZINC000852878829 588710826 /nfs/dbraw/zinc/71/08/26/588710826.db2.gz PZXZCMALNBXVPQ-DTWKUNHWSA-N 1 3 240.307 -0.652 20 0 BBADHO NC[C@@H]1CC(C(=O)N[C@H]2CCC[NH2+]CC2)=NO1 ZINC000852878830 588710704 /nfs/dbraw/zinc/71/07/04/588710704.db2.gz PZXZCMALNBXVPQ-IUCAKERBSA-N 1 3 240.307 -0.652 20 0 BBADHO NC[C@H]1CC(C(=O)N[C@@H]2CCC[NH2+]CC2)=NO1 ZINC000852878831 583021832 /nfs/dbraw/zinc/02/18/32/583021832.db2.gz PZXZCMALNBXVPQ-RKDXNWHRSA-N 1 3 240.307 -0.652 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852878885 588710678 /nfs/dbraw/zinc/71/06/78/588710678.db2.gz RZAAJVIIGAVEMT-HTQZYQBOSA-N 1 3 228.296 -0.796 20 0 BBADHO CC[NH2+][C@H](C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852878886 588710656 /nfs/dbraw/zinc/71/06/56/588710656.db2.gz RZAAJVIIGAVEMT-SFYZADRCSA-N 1 3 228.296 -0.796 20 0 BBADHO CC1([NH3+])CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852879235 588710690 /nfs/dbraw/zinc/71/06/90/588710690.db2.gz SWJRMESLAKYUGY-MRVPVSSYSA-N 1 3 240.307 -0.570 20 0 BBADHO CC1([NH3+])CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852879236 588710617 /nfs/dbraw/zinc/71/06/17/588710617.db2.gz SWJRMESLAKYUGY-QMMMGPOBSA-N 1 3 240.307 -0.570 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852879519 588710710 /nfs/dbraw/zinc/71/07/10/588710710.db2.gz WRMLLBCCUCDTEA-CIUDSAMLSA-N 1 3 240.307 -0.653 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852879522 583021993 /nfs/dbraw/zinc/02/19/93/583021993.db2.gz WRMLLBCCUCDTEA-YIZRAAEISA-N 1 3 240.307 -0.653 20 0 BBADHO CN(C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852879753 588710781 /nfs/dbraw/zinc/71/07/81/588710781.db2.gz HDJDNNRKVIALBU-UHFFFAOYSA-N 1 3 211.309 -0.026 20 0 BBADHO CC(C)(CCC[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852881058 588710840 /nfs/dbraw/zinc/71/08/40/588710840.db2.gz GTILHUZPTOPDLG-MRVPVSSYSA-N 1 3 242.323 -0.276 20 0 BBADHO CC(C)(CCC[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852881059 588710970 /nfs/dbraw/zinc/71/09/70/588710970.db2.gz GTILHUZPTOPDLG-QMMMGPOBSA-N 1 3 242.323 -0.276 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852881280 588710994 /nfs/dbraw/zinc/71/09/94/588710994.db2.gz JFFLVRJIJWRVAM-HTQZYQBOSA-N 1 3 228.296 -0.666 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852881281 588711050 /nfs/dbraw/zinc/71/10/50/588711050.db2.gz JFFLVRJIJWRVAM-JGVFFNPUSA-N 1 3 228.296 -0.666 20 0 BBADHO C[C@H](CCC[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852881282 588711011 /nfs/dbraw/zinc/71/10/11/588711011.db2.gz JFFLVRJIJWRVAM-SFYZADRCSA-N 1 3 228.296 -0.666 20 0 BBADHO C[C@@H](CCC[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852881283 588710449 /nfs/dbraw/zinc/71/04/49/588710449.db2.gz JFFLVRJIJWRVAM-YUMQZZPRSA-N 1 3 228.296 -0.666 20 0 BBADHO CN(C(=O)C1=NO[C@@H](CN)C1)C1CC([NH3+])C1 ZINC000852881611 588711055 /nfs/dbraw/zinc/71/10/55/588711055.db2.gz NVIBHCCRIXPQTD-KAVNDROISA-N 1 3 226.280 -0.962 20 0 BBADHO CN(C(=O)C1=NO[C@H](CN)C1)C1CC([NH3+])C1 ZINC000852881613 588710799 /nfs/dbraw/zinc/71/07/99/588710799.db2.gz NVIBHCCRIXPQTD-RRQHEKLDSA-N 1 3 226.280 -0.962 20 0 BBADHO [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000852881875 588710828 /nfs/dbraw/zinc/71/08/28/588710828.db2.gz RMOBCQGIANIYFC-BWZBUEFSSA-N 1 3 233.262 -0.163 20 0 BBADHO [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000852881876 588710876 /nfs/dbraw/zinc/71/08/76/588710876.db2.gz RMOBCQGIANIYFC-FXQIFTODSA-N 1 3 233.262 -0.163 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852882066 588710973 /nfs/dbraw/zinc/71/09/73/588710973.db2.gz XCCMDAQAAFSPLJ-BDAKNGLRSA-N 1 3 242.323 -0.276 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852882067 588711099 /nfs/dbraw/zinc/71/10/99/588711099.db2.gz XCCMDAQAAFSPLJ-DTWKUNHWSA-N 1 3 242.323 -0.276 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852882068 588710880 /nfs/dbraw/zinc/71/08/80/588710880.db2.gz XCCMDAQAAFSPLJ-IUCAKERBSA-N 1 3 242.323 -0.276 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852882069 588711075 /nfs/dbraw/zinc/71/10/75/588711075.db2.gz XCCMDAQAAFSPLJ-RKDXNWHRSA-N 1 3 242.323 -0.276 20 0 BBADHO [NH3+]C1(CC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000852882122 588711103 /nfs/dbraw/zinc/71/11/03/588711103.db2.gz YIYJQHQRJUUFBT-SSDOTTSWSA-N 1 3 233.262 -0.019 20 0 BBADHO [NH3+]C1(CC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000852882123 588711101 /nfs/dbraw/zinc/71/11/01/588711101.db2.gz YIYJQHQRJUUFBT-ZETCQYMHSA-N 1 3 233.262 -0.019 20 0 BBADHO CC1(C)CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CCN1 ZINC000852882344 588711280 /nfs/dbraw/zinc/71/12/80/588711280.db2.gz DPMNUZRAFIHPNC-MRVPVSSYSA-N 1 3 240.307 -0.700 20 0 BBADHO CC1(C)CN(C(=O)C2=NO[C@H](C[NH3+])C2)CCN1 ZINC000852882345 588711200 /nfs/dbraw/zinc/71/12/00/588711200.db2.gz DPMNUZRAFIHPNC-QMMMGPOBSA-N 1 3 240.307 -0.700 20 0 BBADHO CN(C(=O)C1=NO[C@@H](CN)C1)C1(C[NH3+])CCC1 ZINC000852882385 588711316 /nfs/dbraw/zinc/71/13/16/588711316.db2.gz FUWHGJXIQJAUJD-MRVPVSSYSA-N 1 3 240.307 -0.570 20 0 BBADHO CN(C(=O)C1=NO[C@H](CN)C1)C1(C[NH3+])CCC1 ZINC000852882386 588711323 /nfs/dbraw/zinc/71/13/23/588711323.db2.gz FUWHGJXIQJAUJD-QMMMGPOBSA-N 1 3 240.307 -0.570 20 0 BBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)=NO1 ZINC000852882785 588711128 /nfs/dbraw/zinc/71/11/28/588711128.db2.gz QGPQAGOTXHJOQK-HLTSFMKQSA-N 1 3 240.307 -0.666 20 0 BBADHO NC[C@H]1CC(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)=NO1 ZINC000852882786 588711246 /nfs/dbraw/zinc/71/12/46/588711246.db2.gz QGPQAGOTXHJOQK-HRDYMLBCSA-N 1 3 240.307 -0.666 20 0 BBADHO NC[C@H]1CC(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)=NO1 ZINC000852882788 588711327 /nfs/dbraw/zinc/71/13/27/588711327.db2.gz QGPQAGOTXHJOQK-IWSPIJDZSA-N 1 3 240.307 -0.666 20 0 BBADHO NC[C@@H]1CC(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)=NO1 ZINC000852882790 588711229 /nfs/dbraw/zinc/71/12/29/588711229.db2.gz QGPQAGOTXHJOQK-VGMNWLOBSA-N 1 3 240.307 -0.666 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852882926 588711353 /nfs/dbraw/zinc/71/13/53/588711353.db2.gz SNNCFCYRRZUMSG-APPZFPTMSA-N 1 3 240.307 -0.653 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852882927 588711256 /nfs/dbraw/zinc/71/12/56/588711256.db2.gz SNNCFCYRRZUMSG-CBAPKCEASA-N 1 3 240.307 -0.653 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852882928 588711275 /nfs/dbraw/zinc/71/12/75/588711275.db2.gz SNNCFCYRRZUMSG-IONNQARKSA-N 1 3 240.307 -0.653 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852882929 588711240 /nfs/dbraw/zinc/71/12/40/588711240.db2.gz SNNCFCYRRZUMSG-VXNVDRBHSA-N 1 3 240.307 -0.653 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852891311 588711436 /nfs/dbraw/zinc/71/14/36/588711436.db2.gz PSQQWEFGUNCGIQ-FXQIFTODSA-N 1 3 226.280 -0.962 20 0 BBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852891312 588711427 /nfs/dbraw/zinc/71/14/27/588711427.db2.gz PSQQWEFGUNCGIQ-RNJXMRFFSA-N 1 3 226.280 -0.962 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852891313 588711459 /nfs/dbraw/zinc/71/14/59/588711459.db2.gz PTHOMGUGNSZYGG-APPZFPTMSA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852891314 588711524 /nfs/dbraw/zinc/71/15/24/588711524.db2.gz PTHOMGUGNSZYGG-CBAPKCEASA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852891315 588711539 /nfs/dbraw/zinc/71/15/39/588711539.db2.gz PTHOMGUGNSZYGG-IONNQARKSA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852891316 588711637 /nfs/dbraw/zinc/71/16/37/588711637.db2.gz PTHOMGUGNSZYGG-VXNVDRBHSA-N 1 3 242.323 -0.420 20 0 BBADHO CN(C(=O)C1=NO[C@@H](CN)C1)[C@H](C[NH3+])C1CC1 ZINC000852891349 588711616 /nfs/dbraw/zinc/71/16/16/588711616.db2.gz QLPMEGLLNNTTBE-PSASIEDQSA-N 1 3 240.307 -0.714 20 0 BBADHO CN(C(=O)C1=NO[C@@H](CN)C1)[C@@H](C[NH3+])C1CC1 ZINC000852891350 588711574 /nfs/dbraw/zinc/71/15/74/588711574.db2.gz QLPMEGLLNNTTBE-SCZZXKLOSA-N 1 3 240.307 -0.714 20 0 BBADHO CN(C(=O)C1=NO[C@H](CN)C1)[C@H](C[NH3+])C1CC1 ZINC000852891351 588711640 /nfs/dbraw/zinc/71/16/40/588711640.db2.gz QLPMEGLLNNTTBE-WCBMZHEXSA-N 1 3 240.307 -0.714 20 0 BBADHO CN(C(=O)C1=NO[C@H](CN)C1)[C@@H](C[NH3+])C1CC1 ZINC000852891352 588711441 /nfs/dbraw/zinc/71/14/41/588711441.db2.gz QLPMEGLLNNTTBE-WPRPVWTQSA-N 1 3 240.307 -0.714 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852892456 588711680 /nfs/dbraw/zinc/71/16/80/588711680.db2.gz GSVYCDDXMJDJOG-BIIVOSGPSA-N 1 3 228.296 -0.668 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852892459 588711719 /nfs/dbraw/zinc/71/17/19/588711719.db2.gz GSVYCDDXMJDJOG-FXQIFTODSA-N 1 3 228.296 -0.668 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852892460 588711842 /nfs/dbraw/zinc/71/18/42/588711842.db2.gz GSVYCDDXMJDJOG-RNJXMRFFSA-N 1 3 228.296 -0.668 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852892461 588711762 /nfs/dbraw/zinc/71/17/62/588711762.db2.gz GSVYCDDXMJDJOG-XLPZGREQSA-N 1 3 228.296 -0.668 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)C1=NO[C@@H](CN)C1 ZINC000852892739 588711737 /nfs/dbraw/zinc/71/17/37/588711737.db2.gz JUNXNAIYSGTZKY-SSDOTTSWSA-N 1 3 228.296 -0.666 20 0 BBADHO CC(C)(CC[NH3+])NC(=O)C1=NO[C@H](CN)C1 ZINC000852892740 588711484 /nfs/dbraw/zinc/71/14/84/588711484.db2.gz JUNXNAIYSGTZKY-ZETCQYMHSA-N 1 3 228.296 -0.666 20 0 BBADHO NC[C@@H]1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])=NO1 ZINC000852893583 588711759 /nfs/dbraw/zinc/71/17/59/588711759.db2.gz OQQKROIBUPETBE-DJLDLDEBSA-N 1 3 240.307 -0.524 20 0 BBADHO NC[C@H]1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])=NO1 ZINC000852893584 588711674 /nfs/dbraw/zinc/71/16/74/588711674.db2.gz OQQKROIBUPETBE-IWSPIJDZSA-N 1 3 240.307 -0.524 20 0 BBADHO C[NH2+]CCCN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852893600 588711676 /nfs/dbraw/zinc/71/16/76/588711676.db2.gz YLAMDHGJAWEBRT-MRVPVSSYSA-N 1 3 228.296 -0.842 20 0 BBADHO C[NH2+]CCCN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852893601 588711678 /nfs/dbraw/zinc/71/16/78/588711678.db2.gz YLAMDHGJAWEBRT-QMMMGPOBSA-N 1 3 228.296 -0.842 20 0 BBADHO NC[C@H]1CC(C(=O)NCCCCCC[NH3+])=NO1 ZINC000852894815 588711908 /nfs/dbraw/zinc/71/19/08/588711908.db2.gz OSHWQOPAJDYGDI-SECBINFHSA-N 1 3 242.323 -0.275 20 0 BBADHO NC[C@@H]1CC(C(=O)NCCCCCC[NH3+])=NO1 ZINC000852894816 588711994 /nfs/dbraw/zinc/71/19/94/588711994.db2.gz OSHWQOPAJDYGDI-VIFPVBQESA-N 1 3 242.323 -0.275 20 0 BBADHO NC[C@H]1CC(C(=O)NCCC[NH2+]C2CC2)=NO1 ZINC000852894996 588711917 /nfs/dbraw/zinc/71/19/17/588711917.db2.gz QBZYAOIFZCTTPZ-SECBINFHSA-N 1 3 240.307 -0.652 20 0 BBADHO NC[C@@H]1CC(C(=O)NCCC[NH2+]C2CC2)=NO1 ZINC000852894997 588712096 /nfs/dbraw/zinc/71/20/96/588712096.db2.gz QBZYAOIFZCTTPZ-VIFPVBQESA-N 1 3 240.307 -0.652 20 0 BBADHO NC[C@H]1CC(C(=O)NCCC2(C[NH3+])CC2)=NO1 ZINC000852895887 588712140 /nfs/dbraw/zinc/71/21/40/588712140.db2.gz LUTGAEITHIBQRS-MRVPVSSYSA-N 1 3 240.307 -0.665 20 0 BBADHO NC[C@@H]1CC(C(=O)NCCC2(C[NH3+])CC2)=NO1 ZINC000852895888 588712063 /nfs/dbraw/zinc/71/20/63/588712063.db2.gz LUTGAEITHIBQRS-QMMMGPOBSA-N 1 3 240.307 -0.665 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852896538 588711931 /nfs/dbraw/zinc/71/19/31/588711931.db2.gz DDCWJPZDFCLDIJ-HLTSFMKQSA-N 1 3 240.307 -0.572 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852896539 588711982 /nfs/dbraw/zinc/71/19/82/588711982.db2.gz DDCWJPZDFCLDIJ-HRDYMLBCSA-N 1 3 240.307 -0.572 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852896540 588711957 /nfs/dbraw/zinc/71/19/57/588711957.db2.gz DDCWJPZDFCLDIJ-IWSPIJDZSA-N 1 3 240.307 -0.572 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852896541 588711992 /nfs/dbraw/zinc/71/19/92/588711992.db2.gz DDCWJPZDFCLDIJ-VGMNWLOBSA-N 1 3 240.307 -0.572 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)C1=NO[C@@H](CN)C1 ZINC000852898296 588712217 /nfs/dbraw/zinc/71/22/17/588712217.db2.gz KBYUZFGEWHQCFO-SSDOTTSWSA-N 1 3 228.296 -0.714 20 0 BBADHO CN(CC(C)(C)[NH3+])C(=O)C1=NO[C@H](CN)C1 ZINC000852898298 588712318 /nfs/dbraw/zinc/71/23/18/588712318.db2.gz KBYUZFGEWHQCFO-ZETCQYMHSA-N 1 3 228.296 -0.714 20 0 BBADHO C[C@H](CCNC(=O)C1=NO[C@H](CN)C1)[NH+](C)C ZINC000852902614 588712527 /nfs/dbraw/zinc/71/25/27/588712527.db2.gz KCJRZVSPVBLATM-BDAKNGLRSA-N 1 3 242.323 -0.454 20 0 BBADHO C[C@@H](CCNC(=O)C1=NO[C@@H](CN)C1)[NH+](C)C ZINC000852902615 588712708 /nfs/dbraw/zinc/71/27/08/588712708.db2.gz KCJRZVSPVBLATM-DTWKUNHWSA-N 1 3 242.323 -0.454 20 0 BBADHO C[C@@H](CCNC(=O)C1=NO[C@H](CN)C1)[NH+](C)C ZINC000852902616 588712519 /nfs/dbraw/zinc/71/25/19/588712519.db2.gz KCJRZVSPVBLATM-IUCAKERBSA-N 1 3 242.323 -0.454 20 0 BBADHO C[C@H](CCNC(=O)C1=NO[C@@H](CN)C1)[NH+](C)C ZINC000852902617 588712596 /nfs/dbraw/zinc/71/25/96/588712596.db2.gz KCJRZVSPVBLATM-RKDXNWHRSA-N 1 3 242.323 -0.454 20 0 BBADHO NC[C@H]1CC(C(=O)NCC2([NH3+])CCCC2)=NO1 ZINC000852905738 588712670 /nfs/dbraw/zinc/71/26/70/588712670.db2.gz BFCUUXHVCRPLDQ-MRVPVSSYSA-N 1 3 240.307 -0.522 20 0 BBADHO NC[C@@H]1CC(C(=O)NCC2([NH3+])CCCC2)=NO1 ZINC000852905739 588712702 /nfs/dbraw/zinc/71/27/02/588712702.db2.gz BFCUUXHVCRPLDQ-QMMMGPOBSA-N 1 3 240.307 -0.522 20 0 BBADHO NC[C@H]1CC(C(=O)N2CC3CC2(C[NH3+])C3)=NO1 ZINC000852908473 588712851 /nfs/dbraw/zinc/71/28/51/588712851.db2.gz HBIVEWHMDSAVGA-JKDSDDBFSA-N 1 3 238.291 -0.960 20 0 BBADHO NC[C@@H]1CC(C(=O)N2CC3CC2(C[NH3+])C3)=NO1 ZINC000852908474 588712750 /nfs/dbraw/zinc/71/27/50/588712750.db2.gz HBIVEWHMDSAVGA-KAIZJQOQSA-N 1 3 238.291 -0.960 20 0 BBADHO CC(C)[C@H]([NH3+])CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852916884 588713228 /nfs/dbraw/zinc/71/32/28/588713228.db2.gz SHWXMDWZORMLJK-DTWKUNHWSA-N 1 3 242.323 -0.420 20 0 BBADHO CC(C)[C@H]([NH3+])CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852916885 588713165 /nfs/dbraw/zinc/71/31/65/588713165.db2.gz SHWXMDWZORMLJK-RKDXNWHRSA-N 1 3 242.323 -0.420 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000852920086 588712930 /nfs/dbraw/zinc/71/29/30/588712930.db2.gz KLIDYPOEYBQLPK-APPZFPTMSA-N 1 3 203.261 -0.588 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000852920087 588712775 /nfs/dbraw/zinc/71/27/75/588712775.db2.gz KLIDYPOEYBQLPK-CBAPKCEASA-N 1 3 203.261 -0.588 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000852920088 588712906 /nfs/dbraw/zinc/71/29/06/588712906.db2.gz KLIDYPOEYBQLPK-IONNQARKSA-N 1 3 203.261 -0.588 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000852920089 588712806 /nfs/dbraw/zinc/71/28/06/588712806.db2.gz KLIDYPOEYBQLPK-VXNVDRBHSA-N 1 3 203.261 -0.588 20 0 BBADHO C[NH2+]C[C@@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000852920892 588713475 /nfs/dbraw/zinc/71/34/75/588713475.db2.gz HHESOEXIOFTNSR-SSDOTTSWSA-N 1 3 237.307 -0.607 20 0 BBADHO C[NH2+]C[C@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000852920894 588713297 /nfs/dbraw/zinc/71/32/97/588713297.db2.gz HHESOEXIOFTNSR-ZETCQYMHSA-N 1 3 237.307 -0.607 20 0 BBADHO C[C@@]1(NC(=O)[C@@]2(F)CCNC2)CC[NH2+]C1 ZINC000852928308 588713828 /nfs/dbraw/zinc/71/38/28/588713828.db2.gz ORIXBRLNZVMFPF-NXEZZACHSA-N 1 3 215.272 -0.444 20 0 BBADHO C[C@]1(NC(=O)[C@]2(F)CCNC2)CC[NH2+]C1 ZINC000852928309 588713830 /nfs/dbraw/zinc/71/38/30/588713830.db2.gz ORIXBRLNZVMFPF-UWVGGRQHSA-N 1 3 215.272 -0.444 20 0 BBADHO C[C@]1(NC(=O)[C@@]2(F)CCNC2)CC[NH2+]C1 ZINC000852928310 588713763 /nfs/dbraw/zinc/71/37/63/588713763.db2.gz ORIXBRLNZVMFPF-VHSXEESVSA-N 1 3 215.272 -0.444 20 0 BBADHO C[C@@]1(NC(=O)[C@]2(F)CCNC2)CC[NH2+]C1 ZINC000852928311 588713797 /nfs/dbraw/zinc/71/37/97/588713797.db2.gz ORIXBRLNZVMFPF-ZJUUUORDSA-N 1 3 215.272 -0.444 20 0 BBADHO C[C@H](NC1CC1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000852929879 588713945 /nfs/dbraw/zinc/71/39/45/588713945.db2.gz CRDLVCPVPYFXCJ-GZMMTYOYSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000852929880 588714054 /nfs/dbraw/zinc/71/40/54/588714054.db2.gz CRDLVCPVPYFXCJ-KCJUWKMLSA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@H](NC1CC1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000852929881 588713963 /nfs/dbraw/zinc/71/39/63/588713963.db2.gz CRDLVCPVPYFXCJ-KWQFWETISA-N 1 3 211.309 -0.005 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000852929882 588713936 /nfs/dbraw/zinc/71/39/36/588713936.db2.gz CRDLVCPVPYFXCJ-LDYMZIIASA-N 1 3 211.309 -0.005 20 0 BBADHO CN(C)C1(C(=O)N[C@H](CO)C[NH+](C)C)CCC1 ZINC000854465964 588788564 /nfs/dbraw/zinc/78/85/64/588788564.db2.gz VIZFWOPWFYXJEC-JTQLQIEISA-N 1 3 243.351 -0.491 20 0 BBADHO CN(C)C1(C(=O)N[C@@H](CO)C[NH+](C)C)CCC1 ZINC000854465965 588788426 /nfs/dbraw/zinc/78/84/26/588788426.db2.gz VIZFWOPWFYXJEC-SNVBAGLBSA-N 1 3 243.351 -0.491 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)N[C@@H](C)CN(C)C ZINC000857102554 588887949 /nfs/dbraw/zinc/88/79/49/588887949.db2.gz HFNRWCSQMVPDIH-IUCAKERBSA-N 1 3 216.329 -0.027 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)NCCOCCN(C)C ZINC000857102722 588887749 /nfs/dbraw/zinc/88/77/49/588887749.db2.gz MOUJGBFCGSYNAA-JTQLQIEISA-N 1 3 246.355 -0.399 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)NC[C@H](C)N(C)C ZINC000857104390 588888357 /nfs/dbraw/zinc/88/83/57/588888357.db2.gz SGUGTBFCHDLZTF-IUCAKERBSA-N 1 3 216.329 -0.027 20 0 BBADHO COCCNCCNC(=O)NCC[C@H](C)[NH3+] ZINC000857104902 588888228 /nfs/dbraw/zinc/88/82/28/588888228.db2.gz ZQTLOCPNLOWDJV-VIFPVBQESA-N 1 3 232.328 -0.741 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)NC[C@H]1CNCCO1 ZINC000857106299 588888185 /nfs/dbraw/zinc/88/81/85/588888185.db2.gz IIJQJSIMIJPBHH-DTWKUNHWSA-N 1 3 230.312 -0.989 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CNCCO1 ZINC000857106300 588888196 /nfs/dbraw/zinc/88/81/96/588888196.db2.gz IIJQJSIMIJPBHH-IUCAKERBSA-N 1 3 230.312 -0.989 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000857106981 588888225 /nfs/dbraw/zinc/88/82/25/588888225.db2.gz HGXZBHSHCCYAKV-DJLDLDEBSA-N 1 3 232.303 -0.196 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)N1CCCNCC1 ZINC000857107558 588888530 /nfs/dbraw/zinc/88/85/30/588888530.db2.gz YXYIIXJGKKLYTL-VIFPVBQESA-N 1 3 214.313 -0.271 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000857110212 588889027 /nfs/dbraw/zinc/88/90/27/588889027.db2.gz RAOSBCTWSPCORC-GXSJLCMTSA-N 1 3 244.339 -0.911 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000857110213 588889070 /nfs/dbraw/zinc/88/90/70/588889070.db2.gz RAOSBCTWSPCORC-ONGXEEELSA-N 1 3 244.339 -0.911 20 0 BBADHO CCN(CCO)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000857110702 588889504 /nfs/dbraw/zinc/88/95/04/588889504.db2.gz URRMZCXXNVBAJZ-JTQLQIEISA-N 1 3 246.355 -0.663 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)NCCN(C)C ZINC000857111100 588889497 /nfs/dbraw/zinc/88/94/97/588889497.db2.gz CDEVBXGILPHHDT-QMMMGPOBSA-N 1 3 202.302 -0.416 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000857111316 588889439 /nfs/dbraw/zinc/88/94/39/588889439.db2.gz JOHXTBCSUSXIGR-GXSJLCMTSA-N 1 3 246.355 -0.665 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)NC[C@](C)(O)CN(C)C ZINC000857111317 588889367 /nfs/dbraw/zinc/88/93/67/588889367.db2.gz JOHXTBCSUSXIGR-ONGXEEELSA-N 1 3 246.355 -0.665 20 0 BBADHO C[C@H]([NH3+])CCNC(=O)N(C)CCN(C)C ZINC000857113270 588889690 /nfs/dbraw/zinc/88/96/90/588889690.db2.gz YZJMTCSNASQALI-VIFPVBQESA-N 1 3 216.329 -0.073 20 0 BBADHO COCCN(C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861572966 589168986 /nfs/dbraw/zinc/16/89/86/589168986.db2.gz ZRHIECLVSCOKSJ-JTQLQIEISA-N 1 3 246.355 -0.447 20 0 BBADHO COCCN(C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861572967 589167596 /nfs/dbraw/zinc/16/75/96/589167596.db2.gz ZRHIECLVSCOKSJ-SNVBAGLBSA-N 1 3 246.355 -0.447 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)NCCOCCN(C)C ZINC000861624597 589171028 /nfs/dbraw/zinc/17/10/28/589171028.db2.gz UDZJXXVHVXDZBE-JTQLQIEISA-N 1 3 246.355 -0.447 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)NCCOCCN(C)C ZINC000861624598 589171040 /nfs/dbraw/zinc/17/10/40/589171040.db2.gz UDZJXXVHVXDZBE-SNVBAGLBSA-N 1 3 246.355 -0.447 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)CN(C)C ZINC000861632198 589171340 /nfs/dbraw/zinc/17/13/40/589171340.db2.gz QCLIYFINDGPYEM-BDAKNGLRSA-N 1 3 216.329 -0.075 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)CN(C)C ZINC000861632199 589169510 /nfs/dbraw/zinc/16/95/10/589169510.db2.gz QCLIYFINDGPYEM-IUCAKERBSA-N 1 3 216.329 -0.075 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)N(C)C ZINC000861636698 589171850 /nfs/dbraw/zinc/17/18/50/589171850.db2.gz UQAPJZQNKWTZHU-BDAKNGLRSA-N 1 3 216.329 -0.075 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@H](C)N(C)C ZINC000861636699 589171626 /nfs/dbraw/zinc/17/16/26/589171626.db2.gz UQAPJZQNKWTZHU-IUCAKERBSA-N 1 3 216.329 -0.075 20 0 BBADHO COCCNCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861641352 589172150 /nfs/dbraw/zinc/17/21/50/589172150.db2.gz JPPCTHIHECTNKA-SECBINFHSA-N 1 3 232.328 -0.789 20 0 BBADHO COCCNCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861641353 589172244 /nfs/dbraw/zinc/17/22/44/589172244.db2.gz JPPCTHIHECTNKA-VIFPVBQESA-N 1 3 232.328 -0.789 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCN1C ZINC000861642947 589172499 /nfs/dbraw/zinc/17/24/99/589172499.db2.gz LMBZRHUFOHKKBW-DTWKUNHWSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1C ZINC000861642948 589172438 /nfs/dbraw/zinc/17/24/38/589172438.db2.gz LMBZRHUFOHKKBW-IUCAKERBSA-N 1 3 214.313 -0.273 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CNCCC1(F)F ZINC000861646016 589173081 /nfs/dbraw/zinc/17/30/81/589173081.db2.gz NWWSYNDGLYHNBH-HTQZYQBOSA-N 1 3 248.277 -0.355 20 0 BBADHO O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CNCCC1(F)F ZINC000861646018 589172923 /nfs/dbraw/zinc/17/29/23/589172923.db2.gz NWWSYNDGLYHNBH-SFYZADRCSA-N 1 3 248.277 -0.355 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861662707 589173627 /nfs/dbraw/zinc/17/36/27/589173627.db2.gz DTQNPWWOIPNLMU-SNVBAGLBSA-N 1 3 244.339 -0.957 20 0 BBADHO C[NH2+]CCN(C)C(=O)NC[C@H]1CCCN1C ZINC000861662710 589173568 /nfs/dbraw/zinc/17/35/68/589173568.db2.gz DYNJWMNKYLYOII-SNVBAGLBSA-N 1 3 228.340 -0.059 20 0 BBADHO CN1CCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861694685 589174937 /nfs/dbraw/zinc/17/49/37/589174937.db2.gz DTQNPWWOIPNLMU-JTQLQIEISA-N 1 3 244.339 -0.957 20 0 BBADHO C[NH2+]CCN(C)C(=O)NC[C@@H]1CCCN1C ZINC000861694694 589174994 /nfs/dbraw/zinc/17/49/94/589174994.db2.gz DYNJWMNKYLYOII-JTQLQIEISA-N 1 3 228.340 -0.059 20 0 BBADHO COC[C@@H](CCC[NH3+])N[C@H](C)C(=O)N(C)OC ZINC000863549064 589298323 /nfs/dbraw/zinc/29/83/23/589298323.db2.gz YWYPVWPBTQPFHF-NXEZZACHSA-N 1 3 247.339 -0.262 20 0 BBADHO COC[C@H](CCC[NH3+])N[C@@H](C)C(=O)N(C)OC ZINC000863549065 589298499 /nfs/dbraw/zinc/29/84/99/589298499.db2.gz YWYPVWPBTQPFHF-UWVGGRQHSA-N 1 3 247.339 -0.262 20 0 BBADHO COC[C@@H](CCC[NH3+])N[C@@H](C)C(=O)N(C)OC ZINC000863549066 589298562 /nfs/dbraw/zinc/29/85/62/589298562.db2.gz YWYPVWPBTQPFHF-VHSXEESVSA-N 1 3 247.339 -0.262 20 0 BBADHO COC[C@H](CCC[NH3+])N[C@H](C)C(=O)N(C)OC ZINC000863549067 589298401 /nfs/dbraw/zinc/29/84/01/589298401.db2.gz YWYPVWPBTQPFHF-ZJUUUORDSA-N 1 3 247.339 -0.262 20 0 BBADHO C[C@@H]([NH3+])CN(C)C[C@H]1CCC2(CNC2)O1 ZINC000863567139 589299561 /nfs/dbraw/zinc/29/95/61/589299561.db2.gz CAYWBAWAHSDYNQ-NXEZZACHSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@H]([NH3+])CN(C)C[C@@H]1CCC2(CNC2)O1 ZINC000863567141 589299499 /nfs/dbraw/zinc/29/94/99/589299499.db2.gz CAYWBAWAHSDYNQ-UWVGGRQHSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@H]([NH3+])CN(C)CCC(=O)N1CCNCC1 ZINC000863567168 589299579 /nfs/dbraw/zinc/29/95/79/589299579.db2.gz BRTBCBZMBXMNQP-JTQLQIEISA-N 1 3 228.340 -0.913 20 0 BBADHO C[C@@H]([NH3+])CN(C)CCC(=O)N1CCNCC1 ZINC000863567169 589299295 /nfs/dbraw/zinc/29/92/95/589299295.db2.gz BRTBCBZMBXMNQP-SNVBAGLBSA-N 1 3 228.340 -0.913 20 0 BBADHO C[C@H]([NH3+])CN(C)C[C@H]1CCC2(CNC2)O1 ZINC000863567313 589299333 /nfs/dbraw/zinc/29/93/33/589299333.db2.gz CAYWBAWAHSDYNQ-VHSXEESVSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@@H]([NH3+])CN(C)C[C@@H]1CCC2(CNC2)O1 ZINC000863567314 589299549 /nfs/dbraw/zinc/29/95/49/589299549.db2.gz CAYWBAWAHSDYNQ-ZJUUUORDSA-N 1 3 213.325 -0.214 20 0 BBADHO C[C@@H]([NH3+])CN(C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000863652387 589307744 /nfs/dbraw/zinc/30/77/44/589307744.db2.gz SKAZVICNBMXAKE-GHMZBOCLSA-N 1 3 242.367 -0.537 20 0 BBADHO C[C@@H]([NH3+])CN(C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000863652389 589307471 /nfs/dbraw/zinc/30/74/71/589307471.db2.gz SKAZVICNBMXAKE-MNOVXSKESA-N 1 3 242.367 -0.537 20 0 BBADHO C[C@H]([NH3+])CN(C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000863652390 589307736 /nfs/dbraw/zinc/30/77/36/589307736.db2.gz SKAZVICNBMXAKE-QWRGUYRKSA-N 1 3 242.367 -0.537 20 0 BBADHO C[C@H]([NH3+])CN(C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000863652391 589307333 /nfs/dbraw/zinc/30/73/33/589307333.db2.gz SKAZVICNBMXAKE-WDEREUQCSA-N 1 3 242.367 -0.537 20 0 BBADHO CN1CC[C@@](O)(CNC(=[NH2+])NCCC2CC2)C1 ZINC000864462995 589369424 /nfs/dbraw/zinc/36/94/24/589369424.db2.gz CEZRGDQDCOZUKN-GFCCVEGCSA-N 1 3 240.351 -0.033 20 0 BBADHO CN1CC[C@](O)(CNC(=[NH2+])NCCC2CC2)C1 ZINC000864463132 589369461 /nfs/dbraw/zinc/36/94/61/589369461.db2.gz CEZRGDQDCOZUKN-LBPRGKRZSA-N 1 3 240.351 -0.033 20 0 BBADHO C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000864463194 589369713 /nfs/dbraw/zinc/36/97/13/589369713.db2.gz DQXOZXQFMLBGNQ-FXPVBKGRSA-N 1 3 226.324 -0.425 20 0 BBADHO C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000864463203 589369805 /nfs/dbraw/zinc/36/98/05/589369805.db2.gz DQXOZXQFMLBGNQ-KKZNHRDASA-N 1 3 226.324 -0.425 20 0 BBADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000864463204 589369651 /nfs/dbraw/zinc/36/96/51/589369651.db2.gz DQXOZXQFMLBGNQ-WCABBAIRSA-N 1 3 226.324 -0.425 20 0 BBADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000864463205 589369759 /nfs/dbraw/zinc/36/97/59/589369759.db2.gz DQXOZXQFMLBGNQ-YWVKMMECSA-N 1 3 226.324 -0.425 20 0 BBADHO CN(C)CCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000864624021 589384897 /nfs/dbraw/zinc/38/48/97/589384897.db2.gz SKSMQZGKQHCMBC-JTQLQIEISA-N 1 3 223.324 -0.008 20 0 BBADHO CN(C)CCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000864624022 589384716 /nfs/dbraw/zinc/38/47/16/589384716.db2.gz SKSMQZGKQHCMBC-SNVBAGLBSA-N 1 3 223.324 -0.008 20 0 BBADHO COCC[C@H]([NH3+])Cc1cn(CCN(C)C)nn1 ZINC000864624470 589385009 /nfs/dbraw/zinc/38/50/09/589385009.db2.gz ZLGWWDSUCHUPSP-JTQLQIEISA-N 1 3 241.339 -0.254 20 0 BBADHO COCC[C@@H]([NH3+])Cc1cn(CCN(C)C)nn1 ZINC000864624474 589385013 /nfs/dbraw/zinc/38/50/13/589385013.db2.gz ZLGWWDSUCHUPSP-SNVBAGLBSA-N 1 3 241.339 -0.254 20 0 BBADHO C[N@H+]1CC[C@@H]2CN(c3nc(N)nc(N)n3)CC[C@H]21 ZINC000866209806 589480386 /nfs/dbraw/zinc/48/03/86/589480386.db2.gz VHWIWVOLAAFVEA-HTQZYQBOSA-N 1 3 249.322 -0.434 20 0 BBADHO C[N@@H+]1CC[C@@H]2CN(c3nc(N)nc(N)n3)CC[C@H]21 ZINC000866209806 589480385 /nfs/dbraw/zinc/48/03/85/589480385.db2.gz VHWIWVOLAAFVEA-HTQZYQBOSA-N 1 3 249.322 -0.434 20 0 BBADHO C[N@H+]1CC[C@H]2CN(c3nc(N)nc(N)n3)CC[C@H]21 ZINC000866209807 589480547 /nfs/dbraw/zinc/48/05/47/589480547.db2.gz VHWIWVOLAAFVEA-JGVFFNPUSA-N 1 3 249.322 -0.434 20 0 BBADHO C[N@@H+]1CC[C@H]2CN(c3nc(N)nc(N)n3)CC[C@H]21 ZINC000866209807 589480546 /nfs/dbraw/zinc/48/05/46/589480546.db2.gz VHWIWVOLAAFVEA-JGVFFNPUSA-N 1 3 249.322 -0.434 20 0 BBADHO C[N@H+]1CC[C@@H]2CN(c3nc(N)nc(N)n3)CC[C@@H]21 ZINC000866209808 589480469 /nfs/dbraw/zinc/48/04/69/589480469.db2.gz VHWIWVOLAAFVEA-SFYZADRCSA-N 1 3 249.322 -0.434 20 0 BBADHO C[N@@H+]1CC[C@@H]2CN(c3nc(N)nc(N)n3)CC[C@@H]21 ZINC000866209808 589480468 /nfs/dbraw/zinc/48/04/68/589480468.db2.gz VHWIWVOLAAFVEA-SFYZADRCSA-N 1 3 249.322 -0.434 20 0 BBADHO C[N@H+]1CC[C@H]2CN(c3nc(N)nc(N)n3)CC[C@@H]21 ZINC000866209809 589480738 /nfs/dbraw/zinc/48/07/38/589480738.db2.gz VHWIWVOLAAFVEA-YUMQZZPRSA-N 1 3 249.322 -0.434 20 0 BBADHO C[N@@H+]1CC[C@H]2CN(c3nc(N)nc(N)n3)CC[C@@H]21 ZINC000866209809 589480737 /nfs/dbraw/zinc/48/07/37/589480737.db2.gz VHWIWVOLAAFVEA-YUMQZZPRSA-N 1 3 249.322 -0.434 20 0 BBADHO C[C@@H]([NH3+])C1CCN(CCc2nnnn2C)CC1 ZINC000866659920 589508098 /nfs/dbraw/zinc/50/80/98/589508098.db2.gz XWYHHLFIYFIEMH-SECBINFHSA-N 1 3 238.339 -0.188 20 0 BBADHO C[C@H]([NH3+])C1CCN(CCc2nnnn2C)CC1 ZINC000866659921 589508197 /nfs/dbraw/zinc/50/81/97/589508197.db2.gz XWYHHLFIYFIEMH-VIFPVBQESA-N 1 3 238.339 -0.188 20 0 BBADHO C[NH2+]CC1CCN(CCc2nnnn2C)CC1 ZINC000866659955 589508260 /nfs/dbraw/zinc/50/82/60/589508260.db2.gz YPFVYERKRGZVAU-UHFFFAOYSA-N 1 3 238.339 -0.316 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NCCc1nnnn1C ZINC000866660476 589508184 /nfs/dbraw/zinc/50/81/84/589508184.db2.gz GAXVZMOPDCAKJT-JTQLQIEISA-N 1 3 226.328 -0.284 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NCCc1nnnn1C ZINC000866660481 589508289 /nfs/dbraw/zinc/50/82/89/589508289.db2.gz GAXVZMOPDCAKJT-SNVBAGLBSA-N 1 3 226.328 -0.284 20 0 BBADHO Cn1nnnc1CCN1CCC(C[NH3+])CC1 ZINC000866661970 589509081 /nfs/dbraw/zinc/50/90/81/589509081.db2.gz MBTGOVCLZYKSRF-UHFFFAOYSA-N 1 3 224.312 -0.577 20 0 BBADHO Cn1nnnc1CC[NH2+][C@@H]1CCNCC1(C)C ZINC000866666856 589509688 /nfs/dbraw/zinc/50/96/88/589509688.db2.gz WQTPBCAIRNMUMR-SECBINFHSA-N 1 3 238.339 -0.270 20 0 BBADHO Cn1nnnc1CC[NH2+][C@H]1CCNCC1(C)C ZINC000866666857 589509499 /nfs/dbraw/zinc/50/94/99/589509499.db2.gz WQTPBCAIRNMUMR-VIFPVBQESA-N 1 3 238.339 -0.270 20 0 BBADHO Cn1nnnc1CCN1CCC(CC[NH3+])CC1 ZINC000866668657 589510204 /nfs/dbraw/zinc/51/02/04/589510204.db2.gz HEIIDWDEIMYLQB-UHFFFAOYSA-N 1 3 238.339 -0.187 20 0 BBADHO C[C@@H]1CN(CCc2nnnn2C)C[C@H]1C[NH3+] ZINC000866672568 589510875 /nfs/dbraw/zinc/51/08/75/589510875.db2.gz OBSGXOSLAVLIKG-RKDXNWHRSA-N 1 3 224.312 -0.721 20 0 BBADHO CN1C(=O)[C@H]2CN(C[C@@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701876 589513876 /nfs/dbraw/zinc/51/38/76/589513876.db2.gz PXJBTARKEYHAPZ-BBBLOLIVSA-N 1 3 237.303 -0.858 20 0 BBADHO CN1C(=O)[C@H]2CN(C[C@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701877 589514046 /nfs/dbraw/zinc/51/40/46/589514046.db2.gz PXJBTARKEYHAPZ-LPEHRKFASA-N 1 3 237.303 -0.858 20 0 BBADHO [NH3+]CCCCCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000866702566 589513325 /nfs/dbraw/zinc/51/33/25/589513325.db2.gz CUHCWXBUHMKPJW-MNOVXSKESA-N 1 3 216.325 -0.067 20 0 BBADHO CC1(C)C[C@@H](O)CN(CCN2CC[NH2+]CC2)C1 ZINC000866703336 589513670 /nfs/dbraw/zinc/51/36/70/589513670.db2.gz LNYYACVSFJZORR-GFCCVEGCSA-N 1 3 241.379 -0.016 20 0 BBADHO CC1(C)C[C@H](O)CN(CCN2CC[NH2+]CC2)C1 ZINC000866703337 589513319 /nfs/dbraw/zinc/51/33/19/589513319.db2.gz LNYYACVSFJZORR-LBPRGKRZSA-N 1 3 241.379 -0.016 20 0 BBADHO CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710332 589514686 /nfs/dbraw/zinc/51/46/86/589514686.db2.gz YOIANKFHMPELBG-AEJSXWLSSA-N 1 3 225.292 -0.127 20 0 BBADHO CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710333 589514399 /nfs/dbraw/zinc/51/43/99/589514399.db2.gz YOIANKFHMPELBG-BBBLOLIVSA-N 1 3 225.292 -0.127 20 0 BBADHO C([C@H]1CNCCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866726305 589516536 /nfs/dbraw/zinc/51/65/36/589516536.db2.gz YGFAMGHMKCFEFA-GRYCIOLGSA-N 1 3 225.336 -0.199 20 0 BBADHO C([C@@H]1CNCCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866726306 589516197 /nfs/dbraw/zinc/51/61/97/589516197.db2.gz YGFAMGHMKCFEFA-SDDRHHMPSA-N 1 3 225.336 -0.199 20 0 BBADHO C([C@@H]1CNCCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726307 589516256 /nfs/dbraw/zinc/51/62/56/589516256.db2.gz YGFAMGHMKCFEFA-SRVKXCTJSA-N 1 3 225.336 -0.199 20 0 BBADHO C([C@H]1CNCCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726308 589516499 /nfs/dbraw/zinc/51/64/99/589516499.db2.gz YGFAMGHMKCFEFA-WOPDTQHZSA-N 1 3 225.336 -0.199 20 0 BBADHO C[C@@H](C[NH3+])NS(=O)(=O)CCCN(C)C ZINC000866756994 589517859 /nfs/dbraw/zinc/51/78/59/589517859.db2.gz GIDUXQHALPZCKF-QMMMGPOBSA-N 1 3 223.342 -0.795 20 0 BBADHO C[C@@H](C[NH3+])NS(=O)(=O)CCCN1CCCC1 ZINC000866757183 589517758 /nfs/dbraw/zinc/51/77/58/589517758.db2.gz LRTRYJMBNVONON-JTQLQIEISA-N 1 3 249.380 -0.261 20 0 BBADHO C[NH2+]CCN(C)S(=O)(=O)CCCN(C)C ZINC000866759880 589517850 /nfs/dbraw/zinc/51/78/50/589517850.db2.gz JDGMRPXLSUBYIR-UHFFFAOYSA-N 1 3 237.369 -0.581 20 0 BBADHO C[C@@H]([NH3+])CN(C)S(=O)(=O)CCCN(C)C ZINC000866781066 589518201 /nfs/dbraw/zinc/51/82/01/589518201.db2.gz LQGQSSAQOZBJMB-SECBINFHSA-N 1 3 237.369 -0.453 20 0 BBADHO C[C@H]([NH3+])CN(C)S(=O)(=O)CCCN(C)C ZINC000866781067 589518545 /nfs/dbraw/zinc/51/85/45/589518545.db2.gz LQGQSSAQOZBJMB-VIFPVBQESA-N 1 3 237.369 -0.453 20 0 BBADHO CN(C)CCCS(=O)(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000866806018 589519088 /nfs/dbraw/zinc/51/90/88/589519088.db2.gz RTELOVHPZCFRDU-AOOOYVTPSA-N 1 3 249.380 -0.405 20 0 BBADHO CN(C)CCCS(=O)(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000866807369 589519305 /nfs/dbraw/zinc/51/93/05/589519305.db2.gz RTELOVHPZCFRDU-MGCOHNPYSA-N 1 3 249.380 -0.405 20 0 BBADHO COCCNCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868005138 589543926 /nfs/dbraw/zinc/54/39/26/589543926.db2.gz JAXOJZBACKVKGK-SNVBAGLBSA-N 1 3 243.351 -0.273 20 0 BBADHO C[C@@H](NC(=O)C1(N)CC1)C1CC[NH2+]CC1 ZINC000868005616 589543996 /nfs/dbraw/zinc/54/39/96/589543996.db2.gz SEKVRSFASDAGGU-MRVPVSSYSA-N 1 3 211.309 -0.018 20 0 BBADHO COCCNCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012624 589544160 /nfs/dbraw/zinc/54/41/60/589544160.db2.gz JAXOJZBACKVKGK-JTQLQIEISA-N 1 3 243.351 -0.273 20 0 BBADHO C[C@H](NC(=O)C1(N)CC1)C1CC[NH2+]CC1 ZINC000868013319 589544305 /nfs/dbraw/zinc/54/43/05/589544305.db2.gz SEKVRSFASDAGGU-QMMMGPOBSA-N 1 3 211.309 -0.018 20 0 BBADHO CNCC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000868038969 589545976 /nfs/dbraw/zinc/54/59/76/589545976.db2.gz IAUBCBSMRSULDM-UHFFFAOYSA-N 1 3 229.324 -0.519 20 0 BBADHO CCNCC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000868042032 589545707 /nfs/dbraw/zinc/54/57/07/589545707.db2.gz IPUKBKLTBGMTNC-UHFFFAOYSA-N 1 3 243.351 -0.129 20 0 BBADHO CN[C@@H](C)C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000868043701 589546550 /nfs/dbraw/zinc/54/65/50/589546550.db2.gz QZAAJWPAYFODLU-JTQLQIEISA-N 1 3 243.351 -0.131 20 0 BBADHO COCCC1(NC(=O)[C@@H]2C[C@@H]2N)CC[NH2+]CC1 ZINC000868043939 589546370 /nfs/dbraw/zinc/54/63/70/589546370.db2.gz WCPUIBJAQYBPGY-ZJUUUORDSA-N 1 3 241.335 -0.392 20 0 BBADHO COCCNCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870939473 589699330 /nfs/dbraw/zinc/69/93/30/589699330.db2.gz UYAYQXSETLKVDW-SCVCMEIPSA-N 1 3 241.335 -0.534 20 0 BBADHO COCCNCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870939570 589696935 /nfs/dbraw/zinc/69/69/35/589696935.db2.gz YCENQFZCZMKKPA-PHIMTYICSA-N 1 3 243.351 -0.144 20 0 BBADHO COCCNCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870939571 589696719 /nfs/dbraw/zinc/69/67/19/589696719.db2.gz YCENQFZCZMKKPA-XYPYZODXSA-N 1 3 243.351 -0.144 20 0 BBADHO O=C(CC[NH2+]CC1CC1)NC[C@H]1CNCCO1 ZINC000870945507 589700482 /nfs/dbraw/zinc/70/04/82/589700482.db2.gz KUOMGBYMNODQMV-LLVKDONJSA-N 1 3 241.335 -0.519 20 0 BBADHO O=C(CC[NH2+]CC1CC1)NC[C@@H]1CNCCO1 ZINC000870945508 589700247 /nfs/dbraw/zinc/70/02/47/589700247.db2.gz KUOMGBYMNODQMV-NSHDSACASA-N 1 3 241.335 -0.519 20 0 BBADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000870946676 589700467 /nfs/dbraw/zinc/70/04/67/589700467.db2.gz KNKSKVQNHDNDQX-GOVZDWNOSA-N 1 3 241.310 -0.070 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964424 589701906 /nfs/dbraw/zinc/70/19/06/589701906.db2.gz CMPQEYBADZYCRJ-HRDYMLBCSA-N 1 3 211.309 -0.162 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964425 589701919 /nfs/dbraw/zinc/70/19/19/589701919.db2.gz CMPQEYBADZYCRJ-YIZRAAEISA-N 1 3 211.309 -0.162 20 0 BBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C[C@H]2CSCCN2)C1 ZINC000870964557 589702080 /nfs/dbraw/zinc/70/20/80/589702080.db2.gz GSQVMAPJGBNRST-AEJSXWLSSA-N 1 3 243.376 -0.065 20 0 BBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CSCCN2)C1 ZINC000870964559 589702364 /nfs/dbraw/zinc/70/23/64/589702364.db2.gz GSQVMAPJGBNRST-KXUCPTDWSA-N 1 3 243.376 -0.065 20 0 BBADHO N[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000870964659 589702404 /nfs/dbraw/zinc/70/24/04/589702404.db2.gz IQLCFSHFCLMCQV-FKTZTGRPSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000870964660 589702227 /nfs/dbraw/zinc/70/22/27/589702227.db2.gz IQLCFSHFCLMCQV-SFGNSQDASA-N 1 3 211.309 -0.033 20 0 BBADHO NC(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(F)(F)F ZINC000870965123 589702353 /nfs/dbraw/zinc/70/23/53/589702353.db2.gz MFQOXCGGMKVKFX-JKUQZMGJSA-N 1 3 225.214 -0.271 20 0 BBADHO NC(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(F)(F)F ZINC000870965125 589702491 /nfs/dbraw/zinc/70/24/91/589702491.db2.gz MFQOXCGGMKVKFX-NGJCXOISSA-N 1 3 225.214 -0.271 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965453 589702239 /nfs/dbraw/zinc/70/22/39/589702239.db2.gz QTIMOANHHDBWQD-HLTSFMKQSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965454 589702184 /nfs/dbraw/zinc/70/21/84/589702184.db2.gz QTIMOANHHDBWQD-XHNCKOQMSA-N 1 3 211.309 -0.020 20 0 BBADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000870966042 589702108 /nfs/dbraw/zinc/70/21/08/589702108.db2.gz ZWZGQFARZLHIDM-KHQFGBGNSA-N 1 3 215.272 -0.459 20 0 BBADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000870966043 589702326 /nfs/dbraw/zinc/70/23/26/589702326.db2.gz ZWZGQFARZLHIDM-XKSSXDPKSA-N 1 3 215.272 -0.459 20 0 BBADHO [NH3+][C@H]1C[C@@H](CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000870969142 589702841 /nfs/dbraw/zinc/70/28/41/589702841.db2.gz WLOVSCAQMUZAKB-AXFHLTTASA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@H]1C[C@H](CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000870969143 589702576 /nfs/dbraw/zinc/70/25/76/589702576.db2.gz WLOVSCAQMUZAKB-DCAQKATOSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@H]1C[C@H](CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000870969144 589702642 /nfs/dbraw/zinc/70/26/42/589702642.db2.gz WLOVSCAQMUZAKB-GMTAPVOTSA-N 1 3 241.335 -0.392 20 0 BBADHO [NH3+][C@H]1C[C@@H](CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000870969145 589702895 /nfs/dbraw/zinc/70/28/95/589702895.db2.gz WLOVSCAQMUZAKB-OUAUKWLOSA-N 1 3 241.335 -0.392 20 0 BBADHO CC1(C)CN[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971516 589703306 /nfs/dbraw/zinc/70/33/06/589703306.db2.gz CMPQEYBADZYCRJ-CIUDSAMLSA-N 1 3 211.309 -0.162 20 0 BBADHO CC1(C)CN[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971517 589703250 /nfs/dbraw/zinc/70/32/50/589703250.db2.gz CMPQEYBADZYCRJ-IWSPIJDZSA-N 1 3 211.309 -0.162 20 0 BBADHO [NH3+][C@H]1C[C@H](CNC(=O)C[C@H]2CSCCN2)C1 ZINC000870971721 589703304 /nfs/dbraw/zinc/70/33/04/589703304.db2.gz GSQVMAPJGBNRST-GUBZILKMSA-N 1 3 243.376 -0.065 20 0 BBADHO [NH3+][C@H]1C[C@H](CNC(=O)C[C@@H]2CSCCN2)C1 ZINC000870971722 589703023 /nfs/dbraw/zinc/70/30/23/589703023.db2.gz GSQVMAPJGBNRST-OPRDCNLKSA-N 1 3 243.376 -0.065 20 0 BBADHO N[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CCC1 ZINC000870971768 589703565 /nfs/dbraw/zinc/70/35/65/589703565.db2.gz IQLCFSHFCLMCQV-HGNGGELXSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CCC1 ZINC000870971769 589703837 /nfs/dbraw/zinc/70/38/37/589703837.db2.gz IQLCFSHFCLMCQV-SZEHBUNVSA-N 1 3 211.309 -0.033 20 0 BBADHO NC(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C(F)(F)F ZINC000870971960 589703459 /nfs/dbraw/zinc/70/34/59/589703459.db2.gz MFQOXCGGMKVKFX-HSUXUTPPSA-N 1 3 225.214 -0.271 20 0 BBADHO NC(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C(F)(F)F ZINC000870971961 589703765 /nfs/dbraw/zinc/70/37/65/589703765.db2.gz MFQOXCGGMKVKFX-ZLUOBGJFSA-N 1 3 225.214 -0.271 20 0 BBADHO C[C@H](NC1CC1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972079 589703735 /nfs/dbraw/zinc/70/37/35/589703735.db2.gz QTIMOANHHDBWQD-CIUDSAMLSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972080 589703487 /nfs/dbraw/zinc/70/34/87/589703487.db2.gz QTIMOANHHDBWQD-IWSPIJDZSA-N 1 3 211.309 -0.020 20 0 BBADHO [NH3+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000870972388 589703515 /nfs/dbraw/zinc/70/35/15/589703515.db2.gz ZWZGQFARZLHIDM-NQMVMOMDSA-N 1 3 215.272 -0.459 20 0 BBADHO [NH3+][C@H]1C[C@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000870972389 589703561 /nfs/dbraw/zinc/70/35/61/589703561.db2.gz ZWZGQFARZLHIDM-NRPADANISA-N 1 3 215.272 -0.459 20 0 BBADHO N[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974233 589704135 /nfs/dbraw/zinc/70/41/35/589704135.db2.gz JXERZKBDMOPATP-HPENLJRUSA-N 1 3 223.320 -0.020 20 0 BBADHO C[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974663 589704178 /nfs/dbraw/zinc/70/41/78/589704178.db2.gz OBSLIVACIGKKMC-DOLQZWNJSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974664 589704090 /nfs/dbraw/zinc/70/40/90/589704090.db2.gz OBSLIVACIGKKMC-QEYWKRMJSA-N 1 3 211.309 -0.020 20 0 BBADHO CNCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975242 589704181 /nfs/dbraw/zinc/70/41/81/589704181.db2.gz SWLMNFRWFGDQMK-ILWJIGKKSA-N 1 3 211.309 -0.147 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980893 589704709 /nfs/dbraw/zinc/70/47/09/589704709.db2.gz DRBLVMGZJUCQFZ-AEJSXWLSSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980893 589704707 /nfs/dbraw/zinc/70/47/07/589704707.db2.gz DRBLVMGZJUCQFZ-AEJSXWLSSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980894 589704849 /nfs/dbraw/zinc/70/48/49/589704849.db2.gz DRBLVMGZJUCQFZ-BBBLOLIVSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980894 589704847 /nfs/dbraw/zinc/70/48/47/589704847.db2.gz DRBLVMGZJUCQFZ-BBBLOLIVSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980895 589704413 /nfs/dbraw/zinc/70/44/13/589704413.db2.gz DRBLVMGZJUCQFZ-GUBZILKMSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980895 589704412 /nfs/dbraw/zinc/70/44/12/589704412.db2.gz DRBLVMGZJUCQFZ-GUBZILKMSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980896 589704460 /nfs/dbraw/zinc/70/44/60/589704460.db2.gz DRBLVMGZJUCQFZ-IVZWLZJFSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980896 589704459 /nfs/dbraw/zinc/70/44/59/589704459.db2.gz DRBLVMGZJUCQFZ-IVZWLZJFSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980897 589704639 /nfs/dbraw/zinc/70/46/39/589704639.db2.gz DRBLVMGZJUCQFZ-KXUCPTDWSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980897 589704638 /nfs/dbraw/zinc/70/46/38/589704638.db2.gz DRBLVMGZJUCQFZ-KXUCPTDWSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980898 589702671 /nfs/dbraw/zinc/70/26/71/589702671.db2.gz DRBLVMGZJUCQFZ-LPEHRKFASA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980898 589702669 /nfs/dbraw/zinc/70/26/69/589702669.db2.gz DRBLVMGZJUCQFZ-LPEHRKFASA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870980899 589702943 /nfs/dbraw/zinc/70/29/43/589702943.db2.gz DRBLVMGZJUCQFZ-OPRDCNLKSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980899 589702942 /nfs/dbraw/zinc/70/29/42/589702942.db2.gz DRBLVMGZJUCQFZ-OPRDCNLKSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870980900 589702848 /nfs/dbraw/zinc/70/28/48/589702848.db2.gz DRBLVMGZJUCQFZ-UTLUCORTSA-N 1 3 211.309 -0.114 20 0 BBADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980900 589702847 /nfs/dbraw/zinc/70/28/47/589702847.db2.gz DRBLVMGZJUCQFZ-UTLUCORTSA-N 1 3 211.309 -0.114 20 0 BBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CC[C@H]21 ZINC000870982296 589705264 /nfs/dbraw/zinc/70/52/64/589705264.db2.gz MIMVNNRORZVGJZ-CHWFTXMASA-N 1 3 223.320 -0.114 20 0 BBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CC[C@H]21 ZINC000870982296 589705263 /nfs/dbraw/zinc/70/52/63/589705263.db2.gz MIMVNNRORZVGJZ-CHWFTXMASA-N 1 3 223.320 -0.114 20 0 BBADHO C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CC[C@@H]21 ZINC000870982298 589705129 /nfs/dbraw/zinc/70/51/29/589705129.db2.gz MIMVNNRORZVGJZ-VLEAKVRGSA-N 1 3 223.320 -0.114 20 0 BBADHO C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CC[C@@H]21 ZINC000870982298 589705127 /nfs/dbraw/zinc/70/51/27/589705127.db2.gz MIMVNNRORZVGJZ-VLEAKVRGSA-N 1 3 223.320 -0.114 20 0 BBADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CC[C@@H]21 ZINC000870982299 589705626 /nfs/dbraw/zinc/70/56/26/589705626.db2.gz MIMVNNRORZVGJZ-ZNSHCXBVSA-N 1 3 223.320 -0.114 20 0 BBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CC[C@@H]21 ZINC000870982299 589705624 /nfs/dbraw/zinc/70/56/24/589705624.db2.gz MIMVNNRORZVGJZ-ZNSHCXBVSA-N 1 3 223.320 -0.114 20 0 BBADHO C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CC[C@H]21 ZINC000870982301 589705397 /nfs/dbraw/zinc/70/53/97/589705397.db2.gz MIMVNNRORZVGJZ-ZRUFSTJUSA-N 1 3 223.320 -0.114 20 0 BBADHO C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CC[C@H]21 ZINC000870982301 589705395 /nfs/dbraw/zinc/70/53/95/589705395.db2.gz MIMVNNRORZVGJZ-ZRUFSTJUSA-N 1 3 223.320 -0.114 20 0 BBADHO CNCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983243 589705352 /nfs/dbraw/zinc/70/53/52/589705352.db2.gz TZHIKZRZXNZZEG-NXEZZACHSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983243 589705350 /nfs/dbraw/zinc/70/53/50/589705350.db2.gz TZHIKZRZXNZZEG-NXEZZACHSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983244 589705520 /nfs/dbraw/zinc/70/55/20/589705520.db2.gz TZHIKZRZXNZZEG-UWVGGRQHSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983244 589705518 /nfs/dbraw/zinc/70/55/18/589705518.db2.gz TZHIKZRZXNZZEG-UWVGGRQHSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983245 589704145 /nfs/dbraw/zinc/70/41/45/589704145.db2.gz TZHIKZRZXNZZEG-VHSXEESVSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983245 589704143 /nfs/dbraw/zinc/70/41/43/589704143.db2.gz TZHIKZRZXNZZEG-VHSXEESVSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983246 589704169 /nfs/dbraw/zinc/70/41/69/589704169.db2.gz TZHIKZRZXNZZEG-ZJUUUORDSA-N 1 3 211.309 -0.242 20 0 BBADHO CNCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983246 589704168 /nfs/dbraw/zinc/70/41/68/589704168.db2.gz TZHIKZRZXNZZEG-ZJUUUORDSA-N 1 3 211.309 -0.242 20 0 BBADHO COCCN(C)C(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000871606873 589769732 /nfs/dbraw/zinc/76/97/32/589769732.db2.gz YEAXJSJGIBCAKW-LLVKDONJSA-N 1 3 244.339 -0.844 20 0 BBADHO COCCN(C)C(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000871606874 589769372 /nfs/dbraw/zinc/76/93/72/589769372.db2.gz YEAXJSJGIBCAKW-NSHDSACASA-N 1 3 244.339 -0.844 20 0 BBADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CNCCO1)C2 ZINC000872154551 589885864 /nfs/dbraw/zinc/88/58/64/589885864.db2.gz SLFUFVCOLSSXIC-QJPTWQEYSA-N 1 3 225.336 -0.484 20 0 BBADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CNCCO1)C2 ZINC000872154552 589885914 /nfs/dbraw/zinc/88/59/14/589885914.db2.gz SLFUFVCOLSSXIC-SDDRHHMPSA-N 1 3 225.336 -0.484 20 0 BBADHO [NH3+]CCOCCN1CCNC(=O)CC12CCC2 ZINC000872158209 589885962 /nfs/dbraw/zinc/88/59/62/589885962.db2.gz ZWXUWPAXWUOEBH-UHFFFAOYSA-N 1 3 241.335 -0.294 20 0 BBADHO CN(C)CCOCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872205352 589891727 /nfs/dbraw/zinc/89/17/27/589891727.db2.gz CLEYYMOTVFQIJW-LLVKDONJSA-N 1 3 248.367 -0.324 20 0 BBADHO CN(C)CCOCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872205353 589891500 /nfs/dbraw/zinc/89/15/00/589891500.db2.gz CLEYYMOTVFQIJW-NSHDSACASA-N 1 3 248.367 -0.324 20 0 BBADHO CC1(C)CCNCCN1C(=O)COCC[NH3+] ZINC000872290024 589906491 /nfs/dbraw/zinc/90/64/91/589906491.db2.gz JDCFAWSIQBHCLD-UHFFFAOYSA-N 1 3 229.324 -0.438 20 0 BBADHO COCCNCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872290670 589906460 /nfs/dbraw/zinc/90/64/60/589906460.db2.gz XWEWAOWUEQASIK-UHFFFAOYSA-N 1 3 243.351 -0.177 20 0 BBADHO CC1(C)CCNCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000872297292 589907571 /nfs/dbraw/zinc/90/75/71/589907571.db2.gz LXHISUQPWNCLDE-SECBINFHSA-N 1 3 211.309 -0.051 20 0 BBADHO CO[C@H](C[NH3+])CC(=O)N1CCNCCC1(C)C ZINC000872298772 589908297 /nfs/dbraw/zinc/90/82/97/589908297.db2.gz UEIBZCCCZKYHFV-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](C[NH3+])CC(=O)N1CCNCCC1(C)C ZINC000872298774 589907971 /nfs/dbraw/zinc/90/79/71/589907971.db2.gz UEIBZCCCZKYHFV-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO Nc1cnc(CNCCN2CC[NH2+]CC2)cn1 ZINC000873211407 589996552 /nfs/dbraw/zinc/99/65/52/589996552.db2.gz ZPMYKRZOXWFCPA-UHFFFAOYSA-N 1 3 236.323 -0.946 20 0 BBADHO COCC[N@@H+](C)CCNC(=O)CN1CCCC1 ZINC000874299502 590102776 /nfs/dbraw/zinc/10/27/76/590102776.db2.gz WSESVDATFPYYDS-UHFFFAOYSA-N 1 3 243.351 -0.223 20 0 BBADHO COCC[N@H+](C)CCNC(=O)CN1CCCC1 ZINC000874299502 590102775 /nfs/dbraw/zinc/10/27/75/590102775.db2.gz WSESVDATFPYYDS-UHFFFAOYSA-N 1 3 243.351 -0.223 20 0 BBADHO CN(C)C[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000876504902 590204266 /nfs/dbraw/zinc/20/42/66/590204266.db2.gz BHULFJONVLNBNC-NSHDSACASA-N 1 3 236.319 -0.027 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000876505255 590204667 /nfs/dbraw/zinc/20/46/67/590204667.db2.gz QZTXVNRAJQVNBZ-JTQLQIEISA-N 1 3 242.367 -0.347 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000876510456 590205537 /nfs/dbraw/zinc/20/55/37/590205537.db2.gz SYQNUYXHVREMAN-DCAQKATOSA-N 1 3 242.367 -0.396 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000876510457 590205235 /nfs/dbraw/zinc/20/52/35/590205235.db2.gz SYQNUYXHVREMAN-GARJFASQSA-N 1 3 242.367 -0.396 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000876510458 590205616 /nfs/dbraw/zinc/20/56/16/590205616.db2.gz SYQNUYXHVREMAN-OUAUKWLOSA-N 1 3 242.367 -0.396 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000876510459 590205520 /nfs/dbraw/zinc/20/55/20/590205520.db2.gz SYQNUYXHVREMAN-VWYCJHECSA-N 1 3 242.367 -0.396 20 0 BBADHO [NH3+]C[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000876513291 590206167 /nfs/dbraw/zinc/20/61/67/590206167.db2.gz BQBILNQEMHXLCB-LLVKDONJSA-N 1 3 240.351 -0.911 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000876513300 590205851 /nfs/dbraw/zinc/20/58/51/590205851.db2.gz BQBILNQEMHXLCB-NSHDSACASA-N 1 3 240.351 -0.911 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876513962 590206187 /nfs/dbraw/zinc/20/61/87/590206187.db2.gz KZSCWWQUHMTEFA-UWVGGRQHSA-N 1 3 228.340 -0.866 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876513963 590205788 /nfs/dbraw/zinc/20/57/88/590205788.db2.gz KZSCWWQUHMTEFA-ZJUUUORDSA-N 1 3 228.340 -0.866 20 0 BBADHO C[C@H](NC(=O)[C@@H](N)CN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000876515417 590206412 /nfs/dbraw/zinc/20/64/12/590206412.db2.gz AUGMVKURBPSXDZ-AXFHLTTASA-N 1 3 242.367 -0.620 20 0 BBADHO C[C@H](NC(=O)[C@@H](N)CN(C)C)[C@H]1CCC[NH2+]C1 ZINC000876515418 590206633 /nfs/dbraw/zinc/20/66/33/590206633.db2.gz AUGMVKURBPSXDZ-DCAQKATOSA-N 1 3 242.367 -0.620 20 0 BBADHO C[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000876515419 584885550 /nfs/dbraw/zinc/88/55/50/584885550.db2.gz AUGMVKURBPSXDZ-MXWKQRLJSA-N 1 3 242.367 -0.620 20 0 BBADHO C[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@H]1CCC[NH2+]C1 ZINC000876515420 584885684 /nfs/dbraw/zinc/88/56/84/584885684.db2.gz AUGMVKURBPSXDZ-VWYCJHECSA-N 1 3 242.367 -0.620 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000876515781 590206648 /nfs/dbraw/zinc/20/66/48/590206648.db2.gz XLJGWGNEFPSECC-UWVGGRQHSA-N 1 3 228.340 -0.785 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000876515782 590206537 /nfs/dbraw/zinc/20/65/37/590206537.db2.gz XLJGWGNEFPSECC-ZJUUUORDSA-N 1 3 228.340 -0.785 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876519999 590207131 /nfs/dbraw/zinc/20/71/31/590207131.db2.gz QQCPYOMZCNIGOJ-UWVGGRQHSA-N 1 3 228.340 -0.914 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876520000 590206969 /nfs/dbraw/zinc/20/69/69/590206969.db2.gz QQCPYOMZCNIGOJ-ZJUUUORDSA-N 1 3 228.340 -0.914 20 0 BBADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876522837 590207689 /nfs/dbraw/zinc/20/76/89/590207689.db2.gz DMYZHAHOEQXOPP-KOLCDFICSA-N 1 3 242.367 -0.539 20 0 BBADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876522838 590207838 /nfs/dbraw/zinc/20/78/38/590207838.db2.gz DMYZHAHOEQXOPP-ONGXEEELSA-N 1 3 242.367 -0.539 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)[C@@H](N)CN(C)C ZINC000876524073 590207765 /nfs/dbraw/zinc/20/77/65/590207765.db2.gz IYTPVTJJXKTDJM-JTQLQIEISA-N 1 3 230.356 -0.620 20 0 BBADHO CCCN(C(=O)[C@@H](N)CN(C)C)[C@@H]1CC[NH2+]C1 ZINC000876525851 590208779 /nfs/dbraw/zinc/20/87/79/590208779.db2.gz OZAILDVLGVNYAL-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CCCN(C(=O)[C@@H](N)CN(C)C)[C@H]1CC[NH2+]C1 ZINC000876525852 590208519 /nfs/dbraw/zinc/20/85/19/590208519.db2.gz OZAILDVLGVNYAL-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876529030 590210000 /nfs/dbraw/zinc/21/00/00/590210000.db2.gz CVKYYVSIXUTAAT-VIFPVBQESA-N 1 3 230.356 -0.491 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000876529507 590209841 /nfs/dbraw/zinc/20/98/41/590209841.db2.gz FLEPLUHLLGHIEJ-VIFPVBQESA-N 1 3 228.340 -0.737 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)N1 ZINC000876530677 590209724 /nfs/dbraw/zinc/20/97/24/590209724.db2.gz PLVSIYMDYOSTQD-AEJSXWLSSA-N 1 3 228.340 -0.916 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)C[C@@H](C)N1 ZINC000876530678 590209669 /nfs/dbraw/zinc/20/96/69/590209669.db2.gz PLVSIYMDYOSTQD-BBBLOLIVSA-N 1 3 228.340 -0.916 20 0 BBADHO C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)N1 ZINC000876530679 590209545 /nfs/dbraw/zinc/20/95/45/590209545.db2.gz PLVSIYMDYOSTQD-GUBZILKMSA-N 1 3 228.340 -0.916 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000876530797 590210290 /nfs/dbraw/zinc/21/02/90/590210290.db2.gz VEZNKYDKOAYZPM-GXSJLCMTSA-N 1 3 228.340 -0.881 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000876530798 590210528 /nfs/dbraw/zinc/21/05/28/590210528.db2.gz VEZNKYDKOAYZPM-ONGXEEELSA-N 1 3 228.340 -0.881 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876532810 590210319 /nfs/dbraw/zinc/21/03/19/590210319.db2.gz BOZFJQSDAFJHPF-AXFHLTTASA-N 1 3 242.367 -0.539 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876532811 590210344 /nfs/dbraw/zinc/21/03/44/590210344.db2.gz BOZFJQSDAFJHPF-DCAQKATOSA-N 1 3 242.367 -0.539 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876532812 590210438 /nfs/dbraw/zinc/21/04/38/590210438.db2.gz BOZFJQSDAFJHPF-MXWKQRLJSA-N 1 3 242.367 -0.539 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876532813 590210409 /nfs/dbraw/zinc/21/04/09/590210409.db2.gz BOZFJQSDAFJHPF-VWYCJHECSA-N 1 3 242.367 -0.539 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876533409 590210734 /nfs/dbraw/zinc/21/07/34/590210734.db2.gz RZBKLLVEPSXJRG-UWVGGRQHSA-N 1 3 230.356 -0.635 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876533410 590210788 /nfs/dbraw/zinc/21/07/88/590210788.db2.gz RZBKLLVEPSXJRG-ZJUUUORDSA-N 1 3 230.356 -0.635 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876534651 590210898 /nfs/dbraw/zinc/21/08/98/590210898.db2.gz FIJDMTAGELRXBM-GXSJLCMTSA-N 1 3 230.356 -0.635 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876534654 590210744 /nfs/dbraw/zinc/21/07/44/590210744.db2.gz FIJDMTAGELRXBM-ONGXEEELSA-N 1 3 230.356 -0.635 20 0 BBADHO C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)[C@H]1C[NH3+] ZINC000876535018 590211182 /nfs/dbraw/zinc/21/11/82/590211182.db2.gz VEYCXPBGJABCRR-DCAQKATOSA-N 1 3 242.367 -0.539 20 0 BBADHO C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)[C@@H]1C[NH3+] ZINC000876535098 590211265 /nfs/dbraw/zinc/21/12/65/590211265.db2.gz VEYCXPBGJABCRR-GARJFASQSA-N 1 3 242.367 -0.539 20 0 BBADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)[C@@H]1C[NH3+] ZINC000876535100 590211209 /nfs/dbraw/zinc/21/12/09/590211209.db2.gz VEYCXPBGJABCRR-OUAUKWLOSA-N 1 3 242.367 -0.539 20 0 BBADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)[C@H]1C[NH3+] ZINC000876535102 590211367 /nfs/dbraw/zinc/21/13/67/590211367.db2.gz VEYCXPBGJABCRR-VWYCJHECSA-N 1 3 242.367 -0.539 20 0 BBADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876537069 590211765 /nfs/dbraw/zinc/21/17/65/590211765.db2.gz WESALWKSSOLDFK-CMPLNLGQSA-N 1 3 244.383 -0.245 20 0 BBADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876537070 590211879 /nfs/dbraw/zinc/21/18/79/590211879.db2.gz WESALWKSSOLDFK-JQWIXIFHSA-N 1 3 244.383 -0.245 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876539122 590212034 /nfs/dbraw/zinc/21/20/34/590212034.db2.gz VONIWUOBYXCXDK-VWYCJHECSA-N 1 3 240.351 -0.772 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CN(C)C ZINC000876539391 590212345 /nfs/dbraw/zinc/21/23/45/590212345.db2.gz FSQUQCZBRLVLLE-VIFPVBQESA-N 1 3 230.356 -0.491 20 0 BBADHO CN(C)C[C@H](N)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000876539927 590212179 /nfs/dbraw/zinc/21/21/79/590212179.db2.gz BUUMRFAYANBRNV-ILDUYXDCSA-N 1 3 242.367 -0.396 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000876540086 590212027 /nfs/dbraw/zinc/21/20/27/590212027.db2.gz FHCPBFITHAHNCQ-UWVGGRQHSA-N 1 3 228.340 -0.914 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000876540087 590212207 /nfs/dbraw/zinc/21/22/07/590212207.db2.gz FHCPBFITHAHNCQ-ZJUUUORDSA-N 1 3 228.340 -0.914 20 0 BBADHO CN(C)C[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000876541451 590212300 /nfs/dbraw/zinc/21/23/00/590212300.db2.gz CDUITMKEDMVKJA-VIFPVBQESA-N 1 3 230.356 -0.681 20 0 BBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](N)CN(C)C ZINC000876542157 590212729 /nfs/dbraw/zinc/21/27/29/590212729.db2.gz QNSWHHZDADSEDH-MNOVXSKESA-N 1 3 244.383 -0.293 20 0 BBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](N)CN(C)C ZINC000876542158 590212542 /nfs/dbraw/zinc/21/25/42/590212542.db2.gz QNSWHHZDADSEDH-QWRGUYRKSA-N 1 3 244.383 -0.293 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876543875 590212609 /nfs/dbraw/zinc/21/26/09/590212609.db2.gz OEYFVTSMWDPSMB-UWVGGRQHSA-N 1 3 230.356 -0.491 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876543876 590212643 /nfs/dbraw/zinc/21/26/43/590212643.db2.gz OEYFVTSMWDPSMB-ZJUUUORDSA-N 1 3 230.356 -0.491 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000876730444 590233960 /nfs/dbraw/zinc/23/39/60/590233960.db2.gz GMVFLCVMXSUZQB-QWRGUYRKSA-N 1 3 242.367 -0.668 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000876730445 590234373 /nfs/dbraw/zinc/23/43/73/590234373.db2.gz GMVFLCVMXSUZQB-WDEREUQCSA-N 1 3 242.367 -0.668 20 0 BBADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000876747147 590237115 /nfs/dbraw/zinc/23/71/15/590237115.db2.gz XDAAZHKFJPJNMJ-NSHDSACASA-N 1 3 244.383 -0.277 20 0 BBADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000876747147 590237114 /nfs/dbraw/zinc/23/71/14/590237114.db2.gz XDAAZHKFJPJNMJ-NSHDSACASA-N 1 3 244.383 -0.277 20 0 BBADHO CC[N@@H+](CCNC(=O)[C@@H]1OCC[C@@H]1N)C(C)C ZINC000876749652 590237514 /nfs/dbraw/zinc/23/75/14/590237514.db2.gz PJTGLMPMVSWSKD-WDEREUQCSA-N 1 3 243.351 -0.051 20 0 BBADHO CC[N@H+](CCNC(=O)[C@@H]1OCC[C@@H]1N)C(C)C ZINC000876749652 590237512 /nfs/dbraw/zinc/23/75/12/590237512.db2.gz PJTGLMPMVSWSKD-WDEREUQCSA-N 1 3 243.351 -0.051 20 0 BBADHO CC[N@@H+](CCNC(=O)[C@@H](N)CN(C)C)C(C)C ZINC000876750843 590237942 /nfs/dbraw/zinc/23/79/42/590237942.db2.gz YLMNZOMBQCJMED-NSHDSACASA-N 1 3 244.383 -0.278 20 0 BBADHO CC[N@H+](CCNC(=O)[C@@H](N)CN(C)C)C(C)C ZINC000876750843 590237940 /nfs/dbraw/zinc/23/79/40/590237940.db2.gz YLMNZOMBQCJMED-NSHDSACASA-N 1 3 244.383 -0.278 20 0 BBADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)CN(C)C)CC[N@H+]1C ZINC000876765147 590239720 /nfs/dbraw/zinc/23/97/20/590239720.db2.gz TZEVTVXZGFEHGX-AXFHLTTASA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)CN(C)C)CC[N@@H+]1C ZINC000876765147 590239719 /nfs/dbraw/zinc/23/97/19/590239719.db2.gz TZEVTVXZGFEHGX-AXFHLTTASA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)CN(C)C)CC[N@H+]1C ZINC000876765148 590239431 /nfs/dbraw/zinc/23/94/31/590239431.db2.gz TZEVTVXZGFEHGX-DCAQKATOSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)CN(C)C)CC[N@@H+]1C ZINC000876765148 590239430 /nfs/dbraw/zinc/23/94/30/590239430.db2.gz TZEVTVXZGFEHGX-DCAQKATOSA-N 1 3 242.367 -0.526 20 0 BBADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876773730 590239388 /nfs/dbraw/zinc/23/93/88/590239388.db2.gz WKUPPQRSJRTPJN-MNOVXSKESA-N 1 3 242.367 -0.667 20 0 BBADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876773730 590239386 /nfs/dbraw/zinc/23/93/86/590239386.db2.gz WKUPPQRSJRTPJN-MNOVXSKESA-N 1 3 242.367 -0.667 20 0 BBADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876773731 590239603 /nfs/dbraw/zinc/23/96/03/590239603.db2.gz WKUPPQRSJRTPJN-QWRGUYRKSA-N 1 3 242.367 -0.667 20 0 BBADHO C[C@H]1CC[N@H+](CCNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876773731 590239601 /nfs/dbraw/zinc/23/96/01/590239601.db2.gz WKUPPQRSJRTPJN-QWRGUYRKSA-N 1 3 242.367 -0.667 20 0 BBADHO CN(C)C[C@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000876787699 590240814 /nfs/dbraw/zinc/24/08/14/590240814.db2.gz UHSHILJYOAWZKK-MNOVXSKESA-N 1 3 240.351 -0.772 20 0 BBADHO CN(C)C[C@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000876787702 590241096 /nfs/dbraw/zinc/24/10/96/590241096.db2.gz UHSHILJYOAWZKK-QWRGUYRKSA-N 1 3 240.351 -0.772 20 0 BBADHO COCCNCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876791225 590241279 /nfs/dbraw/zinc/24/12/79/590241279.db2.gz KFEKBNBJKLIYNL-NXEZZACHSA-N 1 3 247.314 -0.714 20 0 BBADHO COCCNCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876791303 590241304 /nfs/dbraw/zinc/24/13/04/590241304.db2.gz KFEKBNBJKLIYNL-UWVGGRQHSA-N 1 3 247.314 -0.714 20 0 BBADHO COCCNCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876791304 590241577 /nfs/dbraw/zinc/24/15/77/590241577.db2.gz KFEKBNBJKLIYNL-VHSXEESVSA-N 1 3 247.314 -0.714 20 0 BBADHO COCCNCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876791305 590241294 /nfs/dbraw/zinc/24/12/94/590241294.db2.gz KFEKBNBJKLIYNL-ZJUUUORDSA-N 1 3 247.314 -0.714 20 0 BBADHO COCCNCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876792304 590241805 /nfs/dbraw/zinc/24/18/05/590241805.db2.gz OFGGGXSJXCXKBS-NXEZZACHSA-N 1 3 243.351 -0.288 20 0 BBADHO COCCNCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876792305 590242123 /nfs/dbraw/zinc/24/21/23/590242123.db2.gz OFGGGXSJXCXKBS-UWVGGRQHSA-N 1 3 243.351 -0.288 20 0 BBADHO COCCNCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876792306 590242182 /nfs/dbraw/zinc/24/21/82/590242182.db2.gz OFGGGXSJXCXKBS-VHSXEESVSA-N 1 3 243.351 -0.288 20 0 BBADHO COCCNCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876792307 590241940 /nfs/dbraw/zinc/24/19/40/590241940.db2.gz OFGGGXSJXCXKBS-ZJUUUORDSA-N 1 3 243.351 -0.288 20 0 BBADHO CCC[C@@H]1CNCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876797768 590242593 /nfs/dbraw/zinc/24/25/93/590242593.db2.gz UYYMSGXFIUCOJC-MNOVXSKESA-N 1 3 242.367 -0.524 20 0 BBADHO CCC[C@H]1CNCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876797770 590242848 /nfs/dbraw/zinc/24/28/48/590242848.db2.gz UYYMSGXFIUCOJC-QWRGUYRKSA-N 1 3 242.367 -0.524 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000876797860 590240531 /nfs/dbraw/zinc/24/05/31/590240531.db2.gz CHKMUNHINRILSB-JTQLQIEISA-N 1 3 242.367 -0.619 20 0 BBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876798063 590242415 /nfs/dbraw/zinc/24/24/15/590242415.db2.gz WTFFKWWJAZOPTO-AEJSXWLSSA-N 1 3 228.340 -0.916 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C)CN1 ZINC000876798065 590240202 /nfs/dbraw/zinc/24/02/02/590240202.db2.gz WTFFKWWJAZOPTO-BBBLOLIVSA-N 1 3 228.340 -0.916 20 0 BBADHO C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)CN1 ZINC000876798066 590240345 /nfs/dbraw/zinc/24/03/45/590240345.db2.gz WTFFKWWJAZOPTO-GUBZILKMSA-N 1 3 228.340 -0.916 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)CN1 ZINC000876798068 590240568 /nfs/dbraw/zinc/24/05/68/590240568.db2.gz WTFFKWWJAZOPTO-UTLUCORTSA-N 1 3 228.340 -0.916 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000876801074 584887178 /nfs/dbraw/zinc/88/71/78/584887178.db2.gz ZLXISFVDQWKMRJ-CMPLNLGQSA-N 1 3 242.367 -0.619 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000876801075 584887333 /nfs/dbraw/zinc/88/73/33/584887333.db2.gz ZLXISFVDQWKMRJ-JQWIXIFHSA-N 1 3 242.367 -0.619 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000876805941 584887150 /nfs/dbraw/zinc/88/71/50/584887150.db2.gz IOWCVRRSFURYTE-CMPLNLGQSA-N 1 3 240.351 -0.913 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000876805942 584887356 /nfs/dbraw/zinc/88/73/56/584887356.db2.gz IOWCVRRSFURYTE-JQWIXIFHSA-N 1 3 240.351 -0.913 20 0 BBADHO CN(C)C[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000876808501 590244795 /nfs/dbraw/zinc/24/47/95/590244795.db2.gz JNKBGOXDMUDMHO-NSHDSACASA-N 1 3 236.319 -0.027 20 0 BBADHO C[NH+](C)C[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000876827149 590246892 /nfs/dbraw/zinc/24/68/92/590246892.db2.gz LAEBSLNLJRQYFG-AXFHLTTASA-N 1 3 240.351 -0.772 20 0 BBADHO C[C@@H](C[NH3+])NC(=O)c1cnn(CCN(C)C)c1 ZINC000876829052 590246832 /nfs/dbraw/zinc/24/68/32/590246832.db2.gz AWVFHTOEPQCUNW-VIFPVBQESA-N 1 3 239.323 -0.478 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000876829379 590246884 /nfs/dbraw/zinc/24/68/84/590246884.db2.gz SALIVZVJAMZOTK-AEJSXWLSSA-N 1 3 228.340 -0.739 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876829380 590247005 /nfs/dbraw/zinc/24/70/05/590247005.db2.gz SALIVZVJAMZOTK-BBBLOLIVSA-N 1 3 228.340 -0.739 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000876829381 590246875 /nfs/dbraw/zinc/24/68/75/590246875.db2.gz SALIVZVJAMZOTK-GUBZILKMSA-N 1 3 228.340 -0.739 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000876829382 590245731 /nfs/dbraw/zinc/24/57/31/590245731.db2.gz SALIVZVJAMZOTK-UTLUCORTSA-N 1 3 228.340 -0.739 20 0 BBADHO COC[C@@]1(C(=O)N[C@@H](C)C[NH3+])CCCCN1 ZINC000876829997 590247307 /nfs/dbraw/zinc/24/73/07/590247307.db2.gz XSYQWISKFMCINO-GXSJLCMTSA-N 1 3 229.324 -0.392 20 0 BBADHO COC[C@]1(C(=O)N[C@@H](C)C[NH3+])CCCCN1 ZINC000876829998 590247272 /nfs/dbraw/zinc/24/72/72/590247272.db2.gz XSYQWISKFMCINO-ONGXEEELSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876831755 590247668 /nfs/dbraw/zinc/24/76/68/590247668.db2.gz JOFRNRVBMJSUQC-AEJSXWLSSA-N 1 3 228.340 -0.916 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1C ZINC000876831757 590247654 /nfs/dbraw/zinc/24/76/54/590247654.db2.gz JOFRNRVBMJSUQC-BBBLOLIVSA-N 1 3 228.340 -0.916 20 0 BBADHO C[C@@H]1NCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1C ZINC000876831758 590247684 /nfs/dbraw/zinc/24/76/84/590247684.db2.gz JOFRNRVBMJSUQC-GUBZILKMSA-N 1 3 228.340 -0.916 20 0 BBADHO C[C@H]1NCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1C ZINC000876831759 590247578 /nfs/dbraw/zinc/24/75/78/590247578.db2.gz JOFRNRVBMJSUQC-UTLUCORTSA-N 1 3 228.340 -0.916 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876831850 590247753 /nfs/dbraw/zinc/24/77/53/590247753.db2.gz KYYWXMIGZQQTLP-GUBZILKMSA-N 1 3 228.340 -0.868 20 0 BBADHO CC[C@H]1CN(C(=O)[C@@H](N)CN(C)C)CC[C@H]1[NH3+] ZINC000876834627 590247982 /nfs/dbraw/zinc/24/79/82/590247982.db2.gz TUXUPDRZGAKTRG-AXFHLTTASA-N 1 3 242.367 -0.539 20 0 BBADHO CC[C@H]1CN(C(=O)[C@@H](N)CN(C)C)CC[C@@H]1[NH3+] ZINC000876834628 590247980 /nfs/dbraw/zinc/24/79/80/590247980.db2.gz TUXUPDRZGAKTRG-DCAQKATOSA-N 1 3 242.367 -0.539 20 0 BBADHO CC[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)CC[C@H]1[NH3+] ZINC000876834630 590245606 /nfs/dbraw/zinc/24/56/06/590245606.db2.gz TUXUPDRZGAKTRG-MXWKQRLJSA-N 1 3 242.367 -0.539 20 0 BBADHO CC[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)CC[C@@H]1[NH3+] ZINC000876834634 590245612 /nfs/dbraw/zinc/24/56/12/590245612.db2.gz TUXUPDRZGAKTRG-VWYCJHECSA-N 1 3 242.367 -0.539 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000876838588 590248280 /nfs/dbraw/zinc/24/82/80/590248280.db2.gz RJKTYWDCXWZIKO-MNOVXSKESA-N 1 3 242.367 -0.537 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000876838592 590248455 /nfs/dbraw/zinc/24/84/55/590248455.db2.gz RJKTYWDCXWZIKO-QWRGUYRKSA-N 1 3 242.367 -0.537 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CN(C)C ZINC000876843191 590249062 /nfs/dbraw/zinc/24/90/62/590249062.db2.gz QCKDLROQCGCZGR-GUBZILKMSA-N 1 3 246.330 -0.966 20 0 BBADHO CN(C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876846510 590248992 /nfs/dbraw/zinc/24/89/92/590248992.db2.gz CKMGOZNBVKQEMJ-BDAKNGLRSA-N 1 3 217.288 -0.388 20 0 BBADHO CN(C)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876846511 590248807 /nfs/dbraw/zinc/24/88/07/590248807.db2.gz CKMGOZNBVKQEMJ-DTWKUNHWSA-N 1 3 217.288 -0.388 20 0 BBADHO CN(C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876846512 590249058 /nfs/dbraw/zinc/24/90/58/590249058.db2.gz CKMGOZNBVKQEMJ-IUCAKERBSA-N 1 3 217.288 -0.388 20 0 BBADHO CN(C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876846513 590248847 /nfs/dbraw/zinc/24/88/47/590248847.db2.gz CKMGOZNBVKQEMJ-RKDXNWHRSA-N 1 3 217.288 -0.388 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000876848151 590247689 /nfs/dbraw/zinc/24/76/89/590247689.db2.gz PGASLLSLYUHMIT-MNOVXSKESA-N 1 3 242.367 -0.395 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000876848152 590247894 /nfs/dbraw/zinc/24/78/94/590247894.db2.gz PGASLLSLYUHMIT-QWRGUYRKSA-N 1 3 242.367 -0.395 20 0 BBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876849542 590249592 /nfs/dbraw/zinc/24/95/92/590249592.db2.gz UACPURKDRWLMIU-CHWFTXMASA-N 1 3 242.367 -0.622 20 0 BBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876849543 590249533 /nfs/dbraw/zinc/24/95/33/590249533.db2.gz UACPURKDRWLMIU-RCWTZXSCSA-N 1 3 242.367 -0.622 20 0 BBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876849544 590249584 /nfs/dbraw/zinc/24/95/84/590249584.db2.gz UACPURKDRWLMIU-VPOLOUISSA-N 1 3 242.367 -0.622 20 0 BBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876849545 590249396 /nfs/dbraw/zinc/24/93/96/590249396.db2.gz UACPURKDRWLMIU-ZNSHCXBVSA-N 1 3 242.367 -0.622 20 0 BBADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876854796 590250042 /nfs/dbraw/zinc/25/00/42/590250042.db2.gz KGSBDUIHEFXGNL-UWVGGRQHSA-N 1 3 230.356 -0.491 20 0 BBADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876854797 590250025 /nfs/dbraw/zinc/25/00/25/590250025.db2.gz KGSBDUIHEFXGNL-ZJUUUORDSA-N 1 3 230.356 -0.491 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876855974 590249973 /nfs/dbraw/zinc/24/99/73/590249973.db2.gz HYNUJMHJROPNIM-AATLWQCWSA-N 1 3 247.289 -0.250 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876855975 590250067 /nfs/dbraw/zinc/25/00/67/590250067.db2.gz HYNUJMHJROPNIM-KATARQTJSA-N 1 3 247.289 -0.250 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876855976 590249951 /nfs/dbraw/zinc/24/99/51/590249951.db2.gz HYNUJMHJROPNIM-XFWSIPNHSA-N 1 3 247.289 -0.250 20 0 BBADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876855977 590250023 /nfs/dbraw/zinc/25/00/23/590250023.db2.gz HYNUJMHJROPNIM-XKNYDFJKSA-N 1 3 247.289 -0.250 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000876856285 590249828 /nfs/dbraw/zinc/24/98/28/590249828.db2.gz DUAOKWYVYVAXFC-DCAQKATOSA-N 1 3 240.351 -0.914 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000876856286 590249791 /nfs/dbraw/zinc/24/97/91/590249791.db2.gz DUAOKWYVYVAXFC-GARJFASQSA-N 1 3 240.351 -0.914 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000876856287 584887382 /nfs/dbraw/zinc/88/73/82/584887382.db2.gz DUAOKWYVYVAXFC-OUAUKWLOSA-N 1 3 240.351 -0.914 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000876856288 584887615 /nfs/dbraw/zinc/88/76/15/584887615.db2.gz DUAOKWYVYVAXFC-VWYCJHECSA-N 1 3 240.351 -0.914 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC000876860162 590250717 /nfs/dbraw/zinc/25/07/17/590250717.db2.gz UKGKFPYSINVYIZ-VIFPVBQESA-N 1 3 230.356 -0.491 20 0 BBADHO CN(C)C[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000876867040 590251547 /nfs/dbraw/zinc/25/15/47/590251547.db2.gz PBSMWMZQZXKZQV-VIFPVBQESA-N 1 3 228.340 -0.785 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000876867634 590251457 /nfs/dbraw/zinc/25/14/57/590251457.db2.gz ICRJMSKNDREKTP-MNOVXSKESA-N 1 3 242.367 -0.476 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000876867635 590251530 /nfs/dbraw/zinc/25/15/30/590251530.db2.gz ICRJMSKNDREKTP-QWRGUYRKSA-N 1 3 242.367 -0.476 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000876869188 590251620 /nfs/dbraw/zinc/25/16/20/590251620.db2.gz CBJDTIDTTNQRFB-UWVGGRQHSA-N 1 3 242.367 -0.620 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000876869190 590251565 /nfs/dbraw/zinc/25/15/65/590251565.db2.gz CBJDTIDTTNQRFB-VHSXEESVSA-N 1 3 242.367 -0.620 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000876870452 590251365 /nfs/dbraw/zinc/25/13/65/590251365.db2.gz KYAGHVVBAHPWNZ-GARJFASQSA-N 1 3 240.351 -0.914 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000876870708 590251784 /nfs/dbraw/zinc/25/17/84/590251784.db2.gz CRQQORIYVBCHCC-DTWKUNHWSA-N 1 3 228.340 -0.868 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000876870709 590251970 /nfs/dbraw/zinc/25/19/70/590251970.db2.gz CRQQORIYVBCHCC-IUCAKERBSA-N 1 3 228.340 -0.868 20 0 BBADHO C[NH+](C)C[C@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000876870712 590252112 /nfs/dbraw/zinc/25/21/12/590252112.db2.gz CTFAIZBQZYXXSA-VIFPVBQESA-N 1 3 228.340 -0.914 20 0 BBADHO CCN[C@@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871538 590252069 /nfs/dbraw/zinc/25/20/69/590252069.db2.gz LNAXLRGMKJXOLF-AEJSXWLSSA-N 1 3 211.309 -0.195 20 0 BBADHO CCN[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871540 590251938 /nfs/dbraw/zinc/25/19/38/590251938.db2.gz LNAXLRGMKJXOLF-BBBLOLIVSA-N 1 3 211.309 -0.195 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000876911929 590255938 /nfs/dbraw/zinc/25/59/38/590255938.db2.gz ARASEWQMLVHVCW-QWRGUYRKSA-N 1 3 242.367 -0.491 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000876911930 590255994 /nfs/dbraw/zinc/25/59/94/590255994.db2.gz ARASEWQMLVHVCW-WDEREUQCSA-N 1 3 242.367 -0.491 20 0 BBADHO CN(C)C[C@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000876913327 590256390 /nfs/dbraw/zinc/25/63/90/590256390.db2.gz DBNHYERDLCBDBS-UWVGGRQHSA-N 1 3 228.340 -0.929 20 0 BBADHO CN(C)C[C@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000876913328 590256407 /nfs/dbraw/zinc/25/64/07/590256407.db2.gz DBNHYERDLCBDBS-VHSXEESVSA-N 1 3 228.340 -0.929 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000876916129 590256796 /nfs/dbraw/zinc/25/67/96/590256796.db2.gz LYEOMSNQIJVTAE-DTWKUNHWSA-N 1 3 230.356 -0.635 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000876916130 590256836 /nfs/dbraw/zinc/25/68/36/590256836.db2.gz LYEOMSNQIJVTAE-IUCAKERBSA-N 1 3 230.356 -0.635 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000876916877 590256775 /nfs/dbraw/zinc/25/67/75/590256775.db2.gz IOIDXJLHNDDHTC-IVZWLZJFSA-N 1 3 241.335 -0.536 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000876916878 590256713 /nfs/dbraw/zinc/25/67/13/590256713.db2.gz IOIDXJLHNDDHTC-KXUCPTDWSA-N 1 3 241.335 -0.536 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000876916879 584887752 /nfs/dbraw/zinc/88/77/52/584887752.db2.gz IOIDXJLHNDDHTC-LPEHRKFASA-N 1 3 241.335 -0.536 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000876916880 584887804 /nfs/dbraw/zinc/88/78/04/584887804.db2.gz IOIDXJLHNDDHTC-OPRDCNLKSA-N 1 3 241.335 -0.536 20 0 BBADHO C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C[C@H]1C[NH3+] ZINC000876919781 590257428 /nfs/dbraw/zinc/25/74/28/590257428.db2.gz YVONTKMJHHDPNO-AXFHLTTASA-N 1 3 242.367 -0.681 20 0 BBADHO C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C[C@@H]1C[NH3+] ZINC000876919782 590257166 /nfs/dbraw/zinc/25/71/66/590257166.db2.gz YVONTKMJHHDPNO-DCAQKATOSA-N 1 3 242.367 -0.681 20 0 BBADHO C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C[C@H]1C[NH3+] ZINC000876919783 590257160 /nfs/dbraw/zinc/25/71/60/590257160.db2.gz YVONTKMJHHDPNO-MXWKQRLJSA-N 1 3 242.367 -0.681 20 0 BBADHO C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C[C@@H]1C[NH3+] ZINC000876919784 590257351 /nfs/dbraw/zinc/25/73/51/590257351.db2.gz YVONTKMJHHDPNO-VWYCJHECSA-N 1 3 242.367 -0.681 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876922877 590257449 /nfs/dbraw/zinc/25/74/49/590257449.db2.gz AITCFFSTJZVLHU-CMPLNLGQSA-N 1 3 240.351 -0.770 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876922878 590257241 /nfs/dbraw/zinc/25/72/41/590257241.db2.gz AITCFFSTJZVLHU-JQWIXIFHSA-N 1 3 240.351 -0.770 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876924315 590257898 /nfs/dbraw/zinc/25/78/98/590257898.db2.gz LREFCMOEMAJBHQ-JFGNBEQYSA-N 1 3 239.319 -0.543 20 0 BBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876924316 590257753 /nfs/dbraw/zinc/25/77/53/590257753.db2.gz LREFCMOEMAJBHQ-SCVCMEIPSA-N 1 3 239.319 -0.543 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC(C)(C)CC[NH3+] ZINC000876927254 590257915 /nfs/dbraw/zinc/25/79/15/590257915.db2.gz WYJALXDEXCKZQA-QMMMGPOBSA-N 1 3 216.329 -0.881 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000876933353 590258606 /nfs/dbraw/zinc/25/86/06/590258606.db2.gz MULGYCJDWORNIO-KXUCPTDWSA-N 1 3 228.340 -0.739 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876933865 584888079 /nfs/dbraw/zinc/88/80/79/584888079.db2.gz AADJOHXCXGLPLZ-CIUDSAMLSA-N 1 3 216.329 -0.883 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876933868 584887939 /nfs/dbraw/zinc/88/79/39/584887939.db2.gz AADJOHXCXGLPLZ-HLTSFMKQSA-N 1 3 216.329 -0.883 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876933874 584888009 /nfs/dbraw/zinc/88/80/09/584888009.db2.gz AADJOHXCXGLPLZ-VGMNWLOBSA-N 1 3 216.329 -0.883 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](N)CN(C)C ZINC000876933887 584888073 /nfs/dbraw/zinc/88/80/73/584888073.db2.gz AADJOHXCXGLPLZ-YIZRAAEISA-N 1 3 216.329 -0.883 20 0 BBADHO [NH3+]CCCCCCNC(=O)CN1CCNCC1 ZINC000876937855 590258904 /nfs/dbraw/zinc/25/89/04/590258904.db2.gz GILHVUGUYHPVEA-UHFFFAOYSA-N 1 3 242.367 -0.473 20 0 BBADHO N[C@H]1CCO[C@H]1C(=O)NCCCCCC[NH3+] ZINC000876938193 584888086 /nfs/dbraw/zinc/88/80/86/584888086.db2.gz UVMJRYRGXFTILL-VHSXEESVSA-N 1 3 229.324 -0.262 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000876938303 590259057 /nfs/dbraw/zinc/25/90/57/590259057.db2.gz YPXWKJKEWWSHJP-JTQLQIEISA-N 1 3 230.356 -0.489 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000876939380 590259257 /nfs/dbraw/zinc/25/92/57/590259257.db2.gz XBBXKPCLNSRTBW-JTQLQIEISA-N 1 3 228.340 -0.866 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000876949859 590259472 /nfs/dbraw/zinc/25/94/72/590259472.db2.gz BDGZBZDALVIDEF-NSHDSACASA-N 1 3 242.367 -0.537 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000876951500 590260406 /nfs/dbraw/zinc/26/04/06/590260406.db2.gz NLANNHHAJGLTLK-NSHDSACASA-N 1 3 242.367 -0.619 20 0 BBADHO CN(C)C[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000876957806 590260736 /nfs/dbraw/zinc/26/07/36/590260736.db2.gz HIXZSNYZKPKOPV-QMMMGPOBSA-N 1 3 216.329 -0.929 20 0 BBADHO CN(C)C[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000876963976 590262005 /nfs/dbraw/zinc/26/20/05/590262005.db2.gz NTLDHTZGMBNSDV-VIFPVBQESA-N 1 3 228.340 -0.737 20 0 BBADHO C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)[C@H](C[NH3+])C1 ZINC000876971544 590263119 /nfs/dbraw/zinc/26/31/19/590263119.db2.gz JNALUOBOZMWXFI-VWYCJHECSA-N 1 3 242.367 -0.539 20 0 BBADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)CN(C)C ZINC000876977332 590264000 /nfs/dbraw/zinc/26/40/00/590264000.db2.gz VVECKZBTRMQWJS-ZJUUUORDSA-N 1 3 230.356 -0.635 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000876977874 590264079 /nfs/dbraw/zinc/26/40/79/590264079.db2.gz BKYKYSKZQOEYME-JLIMGVALSA-N 1 3 247.289 -0.168 20 0 BBADHO N[C@@H]1CN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000876977875 590263763 /nfs/dbraw/zinc/26/37/63/590263763.db2.gz BKYKYSKZQOEYME-KYXWUPHJSA-N 1 3 247.289 -0.168 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000876977876 590264007 /nfs/dbraw/zinc/26/40/07/590264007.db2.gz BKYKYSKZQOEYME-SGIHWFKDSA-N 1 3 247.289 -0.168 20 0 BBADHO N[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000876977877 590264054 /nfs/dbraw/zinc/26/40/54/590264054.db2.gz BKYKYSKZQOEYME-ZYUZMQFOSA-N 1 3 247.289 -0.168 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000876985774 590265379 /nfs/dbraw/zinc/26/53/79/590265379.db2.gz UEEFCBWHMFWMRI-JBLDHEPKSA-N 1 3 240.351 -0.785 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000876985775 590265216 /nfs/dbraw/zinc/26/52/16/590265216.db2.gz UEEFCBWHMFWMRI-JFGNBEQYSA-N 1 3 240.351 -0.785 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000876985777 590265370 /nfs/dbraw/zinc/26/53/70/590265370.db2.gz UEEFCBWHMFWMRI-NHCYSSNCSA-N 1 3 240.351 -0.785 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000876985779 590265142 /nfs/dbraw/zinc/26/51/42/590265142.db2.gz UEEFCBWHMFWMRI-SCVCMEIPSA-N 1 3 240.351 -0.785 20 0 BBADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876997704 590267057 /nfs/dbraw/zinc/26/70/57/590267057.db2.gz DYBQYSDFYBPYQN-QWRGUYRKSA-N 1 3 242.367 -0.668 20 0 BBADHO CC(C)[C@H]1CNCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876997705 590267127 /nfs/dbraw/zinc/26/71/27/590267127.db2.gz DYBQYSDFYBPYQN-WDEREUQCSA-N 1 3 242.367 -0.668 20 0 BBADHO CCNCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877001573 590267605 /nfs/dbraw/zinc/26/76/05/590267605.db2.gz FXRSTDJOODDCQO-SECBINFHSA-N 1 3 211.309 -0.003 20 0 BBADHO CCNCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877001574 590267577 /nfs/dbraw/zinc/26/75/77/590267577.db2.gz FXRSTDJOODDCQO-VIFPVBQESA-N 1 3 211.309 -0.003 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877005271 590268006 /nfs/dbraw/zinc/26/80/06/590268006.db2.gz QQMVFJAXGRPWKT-UWVGGRQHSA-N 1 3 240.351 -0.724 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877005272 590268081 /nfs/dbraw/zinc/26/80/81/590268081.db2.gz QQMVFJAXGRPWKT-VHSXEESVSA-N 1 3 240.351 -0.724 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@@]1(F)CCNC1 ZINC000877008783 590268861 /nfs/dbraw/zinc/26/88/61/590268861.db2.gz YAPSHWPEWXBILR-SECBINFHSA-N 1 3 203.261 -0.505 20 0 BBADHO CCN(CC[NH3+])C(=O)[C@]1(F)CCNC1 ZINC000877008793 590268902 /nfs/dbraw/zinc/26/89/02/590268902.db2.gz YAPSHWPEWXBILR-VIFPVBQESA-N 1 3 203.261 -0.505 20 0 BBADHO [NH3+]C1(CNC(=O)[C@@]2(F)CCNC2)CCOCC1 ZINC000877012942 590268947 /nfs/dbraw/zinc/26/89/47/590268947.db2.gz HDAIIUQCMHSEIP-LLVKDONJSA-N 1 3 245.298 -0.688 20 0 BBADHO [NH3+]C1(CNC(=O)[C@]2(F)CCNC2)CCOCC1 ZINC000877012943 590268738 /nfs/dbraw/zinc/26/87/38/590268738.db2.gz HDAIIUQCMHSEIP-NSHDSACASA-N 1 3 245.298 -0.688 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000877021399 590269612 /nfs/dbraw/zinc/26/96/12/590269612.db2.gz TVLBZAKONQLJOK-IQJOONFLSA-N 1 3 229.299 -0.055 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000877021402 590269907 /nfs/dbraw/zinc/26/99/07/590269907.db2.gz TVLBZAKONQLJOK-NGZCFLSTSA-N 1 3 229.299 -0.055 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000877023029 590270537 /nfs/dbraw/zinc/27/05/37/590270537.db2.gz BDDWHIUBVDCJSQ-HRDYMLBCSA-N 1 3 240.307 -0.653 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000877023030 590270299 /nfs/dbraw/zinc/27/02/99/590270299.db2.gz BDDWHIUBVDCJSQ-XHNCKOQMSA-N 1 3 240.307 -0.653 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000877023242 590270694 /nfs/dbraw/zinc/27/06/94/590270694.db2.gz JZESJGKCKBJGHT-LPEHRKFASA-N 1 3 228.340 -0.868 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@]1(F)CCNC1 ZINC000877024560 590270777 /nfs/dbraw/zinc/27/07/77/590270777.db2.gz HWXODDXFHINPIS-JTQLQIEISA-N 1 3 233.287 -0.960 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@]1(F)CCNC1 ZINC000877024561 590270968 /nfs/dbraw/zinc/27/09/68/590270968.db2.gz HWXODDXFHINPIS-SNVBAGLBSA-N 1 3 233.287 -0.960 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H](C)NC1CC1 ZINC000877025725 590270999 /nfs/dbraw/zinc/27/09/99/590270999.db2.gz TZLGWYSSGFTYQG-SECBINFHSA-N 1 3 229.324 -0.521 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@H](C)NC1CC1 ZINC000877025726 590271064 /nfs/dbraw/zinc/27/10/64/590271064.db2.gz TZLGWYSSGFTYQG-VIFPVBQESA-N 1 3 229.324 -0.521 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@@]1(F)CCNC1 ZINC000877026558 590271202 /nfs/dbraw/zinc/27/12/02/590271202.db2.gz BZMRCIUKSVGPQL-LLVKDONJSA-N 1 3 247.314 -0.618 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@]1(F)CCNC1 ZINC000877026560 590271163 /nfs/dbraw/zinc/27/11/63/590271163.db2.gz BZMRCIUKSVGPQL-NSHDSACASA-N 1 3 247.314 -0.618 20 0 BBADHO CCNCC(=O)N(C)CCOCC[NH2+]C ZINC000877027686 590271651 /nfs/dbraw/zinc/27/16/51/590271651.db2.gz RADGLWWELBBQMY-UHFFFAOYSA-N 1 3 217.313 -0.710 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@H](C)NC1CC1 ZINC000877028608 590271410 /nfs/dbraw/zinc/27/14/10/590271410.db2.gz AWWAAGGOEJEMQA-JTQLQIEISA-N 1 3 243.351 -0.179 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](C)NC1CC1 ZINC000877028609 590271731 /nfs/dbraw/zinc/27/17/31/590271731.db2.gz AWWAAGGOEJEMQA-SNVBAGLBSA-N 1 3 243.351 -0.179 20 0 BBADHO [NH3+]CC1(NC(=O)[C@@]2(F)CCNC2)CCOCC1 ZINC000877046702 590274188 /nfs/dbraw/zinc/27/41/88/590274188.db2.gz RCEKRADEBGSLJU-LLVKDONJSA-N 1 3 245.298 -0.688 20 0 BBADHO [NH3+]CC1(NC(=O)[C@]2(F)CCNC2)CCOCC1 ZINC000877046703 590273884 /nfs/dbraw/zinc/27/38/84/590273884.db2.gz RCEKRADEBGSLJU-NSHDSACASA-N 1 3 245.298 -0.688 20 0 BBADHO [NH3+]CCCOCCNC(=O)[C@]1(F)CCNC1 ZINC000877047501 590274435 /nfs/dbraw/zinc/27/44/35/590274435.db2.gz BJXFYLBMQDJIAX-JTQLQIEISA-N 1 3 233.287 -0.830 20 0 BBADHO [NH3+]CCCOCCNC(=O)[C@@]1(F)CCNC1 ZINC000877047502 590274443 /nfs/dbraw/zinc/27/44/43/590274443.db2.gz BJXFYLBMQDJIAX-SNVBAGLBSA-N 1 3 233.287 -0.830 20 0 BBADHO CCNCC(=O)NCCOCCC[NH3+] ZINC000877047869 590274451 /nfs/dbraw/zinc/27/44/51/590274451.db2.gz GBDSNBLGBPFQQJ-UHFFFAOYSA-N 1 3 203.286 -0.923 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)[C@@]2(F)CCNC2)C[NH2+]1 ZINC000877048777 584888917 /nfs/dbraw/zinc/88/89/17/584888917.db2.gz OKGOVLJMZPGVLD-WCABBAIRSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)[C@]2(F)CCNC2)C[NH2+]1 ZINC000877048780 584888874 /nfs/dbraw/zinc/88/88/74/584888874.db2.gz OKGOVLJMZPGVLD-YWVKMMECSA-N 1 3 229.299 -0.055 20 0 BBADHO C[C@H]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C[NH2+]1 ZINC000877052172 590274620 /nfs/dbraw/zinc/27/46/20/590274620.db2.gz PSDTUWZGQNIFRW-AEJSXWLSSA-N 1 3 228.340 -0.868 20 0 BBADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C[NH2+]1 ZINC000877052173 590274586 /nfs/dbraw/zinc/27/45/86/590274586.db2.gz PSDTUWZGQNIFRW-BBBLOLIVSA-N 1 3 228.340 -0.868 20 0 BBADHO C[C@H]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)C[NH2+]1 ZINC000877052174 590274573 /nfs/dbraw/zinc/27/45/73/590274573.db2.gz PSDTUWZGQNIFRW-GUBZILKMSA-N 1 3 228.340 -0.868 20 0 BBADHO C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)C[NH2+]1 ZINC000877052175 590274616 /nfs/dbraw/zinc/27/46/16/590274616.db2.gz PSDTUWZGQNIFRW-UTLUCORTSA-N 1 3 228.340 -0.868 20 0 BBADHO C[C@@H](NC1CC1)C(=O)NCCOCCC[NH3+] ZINC000877054303 590275122 /nfs/dbraw/zinc/27/51/22/590275122.db2.gz CMTDFGLYEQCNMU-SECBINFHSA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@H](NC1CC1)C(=O)NCCOCCC[NH3+] ZINC000877054304 590275291 /nfs/dbraw/zinc/27/52/91/590275291.db2.gz CMTDFGLYEQCNMU-VIFPVBQESA-N 1 3 229.324 -0.392 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N(C)CCOCC[NH3+] ZINC000877057707 590275748 /nfs/dbraw/zinc/27/57/48/590275748.db2.gz LXHZJSPLSJYDJR-SECBINFHSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@H](NC1CC1)C(=O)N(C)CCOCC[NH3+] ZINC000877057708 590275737 /nfs/dbraw/zinc/27/57/37/590275737.db2.gz LXHZJSPLSJYDJR-VIFPVBQESA-N 1 3 229.324 -0.439 20 0 BBADHO CCNCC(=O)N(C)CCOCC[NH3+] ZINC000877058969 590276405 /nfs/dbraw/zinc/27/64/05/590276405.db2.gz HYCQNELMWXYOJS-UHFFFAOYSA-N 1 3 203.286 -0.970 20 0 BBADHO CN(CCOCC[NH3+])C(=O)[C@]1(F)CCNC1 ZINC000877060264 590276230 /nfs/dbraw/zinc/27/62/30/590276230.db2.gz WEWQRALBGSDWPH-JTQLQIEISA-N 1 3 233.287 -0.878 20 0 BBADHO CN(CCOCC[NH3+])C(=O)[C@@]1(F)CCNC1 ZINC000877060265 590276040 /nfs/dbraw/zinc/27/60/40/590276040.db2.gz WEWQRALBGSDWPH-SNVBAGLBSA-N 1 3 233.287 -0.878 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)[C@]1(F)CCNC1 ZINC000877094756 590281889 /nfs/dbraw/zinc/28/18/89/590281889.db2.gz DXYBTUOUQJFFPC-APPZFPTMSA-N 1 3 203.261 -0.506 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)[C@]1(F)CCNC1 ZINC000877094757 590281980 /nfs/dbraw/zinc/28/19/80/590281980.db2.gz DXYBTUOUQJFFPC-CBAPKCEASA-N 1 3 203.261 -0.506 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)[C@@]1(F)CCNC1 ZINC000877094758 590282159 /nfs/dbraw/zinc/28/21/59/590282159.db2.gz DXYBTUOUQJFFPC-IONNQARKSA-N 1 3 203.261 -0.506 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@]1(F)CCNC1 ZINC000877094759 590282142 /nfs/dbraw/zinc/28/21/42/590282142.db2.gz DXYBTUOUQJFFPC-VXNVDRBHSA-N 1 3 203.261 -0.506 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)C[C@H]1CNCCO1 ZINC000877094978 590282165 /nfs/dbraw/zinc/28/21/65/590282165.db2.gz GEGHDRWCJYHXOH-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1CNCCO1 ZINC000877094979 590281878 /nfs/dbraw/zinc/28/18/78/590281878.db2.gz GEGHDRWCJYHXOH-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)C[C@H]1CNCCO1 ZINC000877094980 590282150 /nfs/dbraw/zinc/28/21/50/590282150.db2.gz GEGHDRWCJYHXOH-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1CNCCO1 ZINC000877094982 590281938 /nfs/dbraw/zinc/28/19/38/590281938.db2.gz GEGHDRWCJYHXOH-RKDXNWHRSA-N 1 3 215.297 -0.830 20 0 BBADHO CSCC[C@@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095259 590281866 /nfs/dbraw/zinc/28/18/66/590281866.db2.gz JPUUJMOZDGSJKW-HTQZYQBOSA-N 1 3 219.354 -0.128 20 0 BBADHO CSCC[C@@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877095262 590282058 /nfs/dbraw/zinc/28/20/58/590282058.db2.gz JPUUJMOZDGSJKW-JGVFFNPUSA-N 1 3 219.354 -0.128 20 0 BBADHO CSCC[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095264 590281756 /nfs/dbraw/zinc/28/17/56/590281756.db2.gz JPUUJMOZDGSJKW-SFYZADRCSA-N 1 3 219.354 -0.128 20 0 BBADHO CSCC[C@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877095265 590282042 /nfs/dbraw/zinc/28/20/42/590282042.db2.gz JPUUJMOZDGSJKW-YUMQZZPRSA-N 1 3 219.354 -0.128 20 0 BBADHO COCCNCC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095830 590281911 /nfs/dbraw/zinc/28/19/11/590281911.db2.gz SKBVTPHXSSGEEQ-MRVPVSSYSA-N 1 3 203.286 -0.972 20 0 BBADHO COCCNCC(=O)N(C)C[C@H](C)[NH3+] ZINC000877095838 590282082 /nfs/dbraw/zinc/28/20/82/590282082.db2.gz SKBVTPHXSSGEEQ-QMMMGPOBSA-N 1 3 203.286 -0.972 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)CNC[C@H]1CCCO1 ZINC000877095976 590281737 /nfs/dbraw/zinc/28/17/37/590281737.db2.gz WRCWCDDHVHBUNE-NXEZZACHSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)CNC[C@@H]1CCCO1 ZINC000877095978 590282114 /nfs/dbraw/zinc/28/21/14/590282114.db2.gz WRCWCDDHVHBUNE-UWVGGRQHSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)CNC[C@H]1CCCO1 ZINC000877095979 590281976 /nfs/dbraw/zinc/28/19/76/590281976.db2.gz WRCWCDDHVHBUNE-VHSXEESVSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)CNC[C@@H]1CCCO1 ZINC000877095981 590282174 /nfs/dbraw/zinc/28/21/74/590282174.db2.gz WRCWCDDHVHBUNE-ZJUUUORDSA-N 1 3 229.324 -0.439 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)C[C@H]1CSCCN1 ZINC000877103117 590283743 /nfs/dbraw/zinc/28/37/43/590283743.db2.gz QXMZEKFHNLEDKH-BDAKNGLRSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1CSCCN1 ZINC000877103118 590283696 /nfs/dbraw/zinc/28/36/96/590283696.db2.gz QXMZEKFHNLEDKH-DTWKUNHWSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@H]([NH3+])CN(C)C(=O)C[C@H]1CSCCN1 ZINC000877103119 590283724 /nfs/dbraw/zinc/28/37/24/590283724.db2.gz QXMZEKFHNLEDKH-IUCAKERBSA-N 1 3 231.365 -0.113 20 0 BBADHO C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1CSCCN1 ZINC000877103120 590283749 /nfs/dbraw/zinc/28/37/49/590283749.db2.gz QXMZEKFHNLEDKH-RKDXNWHRSA-N 1 3 231.365 -0.113 20 0 BBADHO COC[C@@]1(C(=O)N(C)C[C@H](C)[NH3+])CCCCN1 ZINC000877108403 590286393 /nfs/dbraw/zinc/28/63/93/590286393.db2.gz RKSYJGZBCRVYCT-CMPLNLGQSA-N 1 3 243.351 -0.049 20 0 BBADHO COC[C@]1(C(=O)N(C)C[C@H](C)[NH3+])CCCCN1 ZINC000877108404 584890394 /nfs/dbraw/zinc/89/03/94/584890394.db2.gz RKSYJGZBCRVYCT-JQWIXIFHSA-N 1 3 243.351 -0.049 20 0 BBADHO COC[C@]1(C(=O)N(C)C[C@@H](C)[NH3+])CCCCN1 ZINC000877108410 584890390 /nfs/dbraw/zinc/89/03/90/584890390.db2.gz RKSYJGZBCRVYCT-PWSUYJOCSA-N 1 3 243.351 -0.049 20 0 BBADHO COC[C@@]1(C(=O)N(C)C[C@@H](C)[NH3+])CCCCN1 ZINC000877108417 584890363 /nfs/dbraw/zinc/89/03/63/584890363.db2.gz RKSYJGZBCRVYCT-ZYHUDNBSSA-N 1 3 243.351 -0.049 20 0 BBADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877109863 590286896 /nfs/dbraw/zinc/28/68/96/590286896.db2.gz SLISRPLXRRPHCH-OYNCUSHFSA-N 1 3 211.309 -0.007 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877109864 590286988 /nfs/dbraw/zinc/28/69/88/590286988.db2.gz SLISRPLXRRPHCH-QXFUBDJGSA-N 1 3 211.309 -0.007 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000877112398 590287454 /nfs/dbraw/zinc/28/74/54/590287454.db2.gz RASVLSDQHKFZSV-QXFUBDJGSA-N 1 3 215.272 -0.445 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000877112399 590287386 /nfs/dbraw/zinc/28/73/86/590287386.db2.gz RASVLSDQHKFZSV-XKSSXDPKSA-N 1 3 215.272 -0.445 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877124760 590289642 /nfs/dbraw/zinc/28/96/42/590289642.db2.gz DAXTXBHTFDUUCQ-MNOVXSKESA-N 1 3 242.367 -0.395 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877124761 590289495 /nfs/dbraw/zinc/28/94/95/590289495.db2.gz DAXTXBHTFDUUCQ-QWRGUYRKSA-N 1 3 242.367 -0.395 20 0 BBADHO COCCN(CC1CC[NH+](C)CC1)C(=O)CN ZINC000877132551 590291132 /nfs/dbraw/zinc/29/11/32/590291132.db2.gz HBTLEIOUKVVMHW-UHFFFAOYSA-N 1 3 243.351 -0.238 20 0 BBADHO O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)[C@]1(F)CCNC1 ZINC000877165330 590295051 /nfs/dbraw/zinc/29/50/51/590295051.db2.gz GJABWVOZSMIFBY-NRPADANISA-N 1 3 213.256 -0.739 20 0 BBADHO O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@]1(F)CCNC1 ZINC000877165331 590294905 /nfs/dbraw/zinc/29/49/05/590294905.db2.gz GJABWVOZSMIFBY-OYNCUSHFSA-N 1 3 213.256 -0.739 20 0 BBADHO C[C@H](NC1CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167757 590295251 /nfs/dbraw/zinc/29/52/51/590295251.db2.gz IQKNBBAMVGNNPS-HGNGGELXSA-N 1 3 209.293 -0.300 20 0 BBADHO C[C@@H](NC1CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167758 590295375 /nfs/dbraw/zinc/29/53/75/590295375.db2.gz IQKNBBAMVGNNPS-JEZHCXPESA-N 1 3 209.293 -0.300 20 0 BBADHO O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]1(F)CCNC1 ZINC000877169059 590295922 /nfs/dbraw/zinc/29/59/22/590295922.db2.gz DZSKDRCQDWBILB-NGZCFLSTSA-N 1 3 227.283 -0.349 20 0 BBADHO O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]1(F)CCNC1 ZINC000877169060 590295808 /nfs/dbraw/zinc/29/58/08/590295808.db2.gz DZSKDRCQDWBILB-WCABBAIRSA-N 1 3 227.283 -0.349 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1=NO[C@@H](CN)C1 ZINC000877172048 584891353 /nfs/dbraw/zinc/89/13/53/584891353.db2.gz NUKITKJPJBFFAJ-BWZBUEFSSA-N 1 3 226.280 -0.962 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=NO[C@H](CN)C1 ZINC000877172057 584891267 /nfs/dbraw/zinc/89/12/67/584891267.db2.gz NUKITKJPJBFFAJ-CSMHCCOUSA-N 1 3 226.280 -0.962 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=NO[C@@H](CN)C1 ZINC000877172060 584891358 /nfs/dbraw/zinc/89/13/58/584891358.db2.gz NUKITKJPJBFFAJ-GJMOJQLCSA-N 1 3 226.280 -0.962 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1=NO[C@H](CN)C1 ZINC000877172064 584891188 /nfs/dbraw/zinc/89/11/88/584891188.db2.gz NUKITKJPJBFFAJ-PRJMDXOYSA-N 1 3 226.280 -0.962 20 0 BBADHO NC[C@H]1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC000877172369 590296215 /nfs/dbraw/zinc/29/62/15/590296215.db2.gz PTDFZEGVLLXWOJ-HRDYMLBCSA-N 1 3 238.291 -0.947 20 0 BBADHO NC[C@@H]1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC000877172370 590296418 /nfs/dbraw/zinc/29/64/18/590296418.db2.gz PTDFZEGVLLXWOJ-YIZRAAEISA-N 1 3 238.291 -0.947 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@]1(F)CCNC1 ZINC000877174238 590296865 /nfs/dbraw/zinc/29/68/65/590296865.db2.gz QSPKCXJOGYEWKK-KHQFGBGNSA-N 1 3 215.272 -0.364 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@]1(F)CCNC1 ZINC000877174239 590296530 /nfs/dbraw/zinc/29/65/30/590296530.db2.gz QSPKCXJOGYEWKK-MRTMQBJTSA-N 1 3 215.272 -0.364 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@]1(F)CCNC1 ZINC000877174240 590296895 /nfs/dbraw/zinc/29/68/95/590296895.db2.gz QSPKCXJOGYEWKK-NQMVMOMDSA-N 1 3 215.272 -0.364 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@]1(F)CCNC1 ZINC000877174241 590296874 /nfs/dbraw/zinc/29/68/74/590296874.db2.gz QSPKCXJOGYEWKK-WEDXCCLWSA-N 1 3 215.272 -0.364 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877180192 590298269 /nfs/dbraw/zinc/29/82/69/590298269.db2.gz PYPIOAMTIFJFMS-DCAQKATOSA-N 1 3 242.367 -0.491 20 0 BBADHO N[C@H]1CCO[C@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877185031 590298440 /nfs/dbraw/zinc/29/84/40/590298440.db2.gz WVNSMUUVPUVDMY-MBPTXSFVSA-N 1 3 239.319 -0.415 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877185314 590298694 /nfs/dbraw/zinc/29/86/94/590298694.db2.gz KTWVFILYFYXEKA-YZRBJQDESA-N 1 3 240.351 -0.642 20 0 BBADHO COCCNCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192289 590298891 /nfs/dbraw/zinc/29/88/91/590298891.db2.gz KLRVKUTVWKAARG-UHFFFAOYSA-N 1 3 241.335 -0.295 20 0 BBADHO NC1(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000877192351 590299033 /nfs/dbraw/zinc/29/90/33/590299033.db2.gz MYUHWUXECKTQOY-UHFFFAOYSA-N 1 3 209.293 -0.040 20 0 BBADHO CN(C)C[C@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205359 590301174 /nfs/dbraw/zinc/30/11/74/590301174.db2.gz FUEHZMLZPFHOCF-JTQLQIEISA-N 1 3 242.367 -0.347 20 0 BBADHO COc1ccc([C@@H]2CN(C(=O)CN)C[C@H]2[NH3+])cc1 ZINC000877235192 590301874 /nfs/dbraw/zinc/30/18/74/590301874.db2.gz ABOFFMWFSWZSPJ-NWDGAFQWSA-N 1 3 249.314 -0.093 20 0 BBADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000877244461 590303010 /nfs/dbraw/zinc/30/30/10/590303010.db2.gz CXXPMAHHLQUJFO-AEJSXWLSSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000877244462 590301810 /nfs/dbraw/zinc/30/18/10/590301810.db2.gz CXXPMAHHLQUJFO-KXUCPTDWSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000877245151 590303048 /nfs/dbraw/zinc/30/30/48/590303048.db2.gz CXXPMAHHLQUJFO-GUBZILKMSA-N 1 3 211.309 -0.018 20 0 BBADHO [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000877245152 590302947 /nfs/dbraw/zinc/30/29/47/590302947.db2.gz CXXPMAHHLQUJFO-OPRDCNLKSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@@H](NC(=O)[C@@H](N)CN(C)C)C1CC[NH2+]CC1 ZINC000877252833 590304451 /nfs/dbraw/zinc/30/44/51/590304451.db2.gz ZDSUUZHXKRBSGU-KOLCDFICSA-N 1 3 242.367 -0.620 20 0 BBADHO C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000877254655 590304049 /nfs/dbraw/zinc/30/40/49/590304049.db2.gz ZIRNOHJGRQOHQM-DVVUODLYSA-N 1 3 241.335 -0.393 20 0 BBADHO C[C@H](NC(=O)[C@@H](N)CN(C)C)C1CC[NH2+]CC1 ZINC000877254661 590304171 /nfs/dbraw/zinc/30/41/71/590304171.db2.gz ZDSUUZHXKRBSGU-ONGXEEELSA-N 1 3 242.367 -0.620 20 0 BBADHO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000877254673 590304143 /nfs/dbraw/zinc/30/41/43/590304143.db2.gz ZIRNOHJGRQOHQM-INTQDDNPSA-N 1 3 241.335 -0.393 20 0 BBADHO CC[C@H](N)C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000877267400 590305074 /nfs/dbraw/zinc/30/50/74/590305074.db2.gz UUVTURUQNAVSGV-JTQLQIEISA-N 1 3 243.351 -0.001 20 0 BBADHO CC[C@@H](N)C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000877268199 590305099 /nfs/dbraw/zinc/30/50/99/590305099.db2.gz UUVTURUQNAVSGV-SNVBAGLBSA-N 1 3 243.351 -0.001 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272950 590305545 /nfs/dbraw/zinc/30/55/45/590305545.db2.gz LYOUWXBCHCCXRU-AXFHLTTASA-N 1 3 240.351 -0.772 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877272951 590305464 /nfs/dbraw/zinc/30/54/64/590305464.db2.gz LYOUWXBCHCCXRU-DCAQKATOSA-N 1 3 240.351 -0.772 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272952 590305536 /nfs/dbraw/zinc/30/55/36/590305536.db2.gz LYOUWXBCHCCXRU-GARJFASQSA-N 1 3 240.351 -0.772 20 0 BBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877272953 590305717 /nfs/dbraw/zinc/30/57/17/590305717.db2.gz LYOUWXBCHCCXRU-HBNTYKKESA-N 1 3 240.351 -0.772 20 0 BBADHO CN[C@@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877275274 590306096 /nfs/dbraw/zinc/30/60/96/590306096.db2.gz RDEABUWCDBMYME-AEJSXWLSSA-N 1 3 211.309 -0.053 20 0 BBADHO CN[C@@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877275276 590305778 /nfs/dbraw/zinc/30/57/78/590305778.db2.gz RDEABUWCDBMYME-GUBZILKMSA-N 1 3 211.309 -0.053 20 0 BBADHO CN[C@@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877275277 590305979 /nfs/dbraw/zinc/30/59/79/590305979.db2.gz RDEABUWCDBMYME-IVZWLZJFSA-N 1 3 211.309 -0.053 20 0 BBADHO CN[C@@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877275279 590305797 /nfs/dbraw/zinc/30/57/97/590305797.db2.gz RDEABUWCDBMYME-LPEHRKFASA-N 1 3 211.309 -0.053 20 0 BBADHO COCCNCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877286113 590307339 /nfs/dbraw/zinc/30/73/39/590307339.db2.gz BDMWQHFRHNLVBB-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877286114 590307469 /nfs/dbraw/zinc/30/74/69/590307469.db2.gz BDMWQHFRHNLVBB-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877286115 583307445 /nfs/dbraw/zinc/30/74/45/583307445.db2.gz BDMWQHFRHNLVBB-QWRGUYRKSA-N 1 3 241.335 -0.425 20 0 BBADHO COCCNCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286116 583307149 /nfs/dbraw/zinc/30/71/49/583307149.db2.gz BDMWQHFRHNLVBB-WDEREUQCSA-N 1 3 241.335 -0.425 20 0 BBADHO CCNCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289965 590307809 /nfs/dbraw/zinc/30/78/09/590307809.db2.gz XEGRNCSDOUMVKU-NXEZZACHSA-N 1 3 211.309 -0.051 20 0 BBADHO CCNCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877289968 590307600 /nfs/dbraw/zinc/30/76/00/590307600.db2.gz XEGRNCSDOUMVKU-UWVGGRQHSA-N 1 3 211.309 -0.051 20 0 BBADHO CCNCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877289969 590307946 /nfs/dbraw/zinc/30/79/46/590307946.db2.gz XEGRNCSDOUMVKU-VHSXEESVSA-N 1 3 211.309 -0.051 20 0 BBADHO CCNCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877289971 590307866 /nfs/dbraw/zinc/30/78/66/590307866.db2.gz XEGRNCSDOUMVKU-ZJUUUORDSA-N 1 3 211.309 -0.051 20 0 BBADHO C[C@@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337124 590318269 /nfs/dbraw/zinc/31/82/69/590318269.db2.gz NYVHSGMXTMFETE-NXEZZACHSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@H](N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337125 590318351 /nfs/dbraw/zinc/31/83/51/590318351.db2.gz NYVHSGMXTMFETE-UWVGGRQHSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337126 590317695 /nfs/dbraw/zinc/31/76/95/590317695.db2.gz NYVHSGMXTMFETE-VHSXEESVSA-N 1 3 241.335 -0.392 20 0 BBADHO C[C@@H](N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337127 590318390 /nfs/dbraw/zinc/31/83/90/590318390.db2.gz NYVHSGMXTMFETE-ZJUUUORDSA-N 1 3 241.335 -0.392 20 0 BBADHO CNCC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337696 590317623 /nfs/dbraw/zinc/31/76/23/590317623.db2.gz SIDWQGMOAZINIR-JTQLQIEISA-N 1 3 241.335 -0.519 20 0 BBADHO CNCC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337697 590318308 /nfs/dbraw/zinc/31/83/08/590318308.db2.gz SIDWQGMOAZINIR-SNVBAGLBSA-N 1 3 241.335 -0.519 20 0 BBADHO NCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346708 590318642 /nfs/dbraw/zinc/31/86/42/590318642.db2.gz GGQUIAVMWBPSDH-LLVKDONJSA-N 1 3 219.288 -0.224 20 0 BBADHO NCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346709 590318608 /nfs/dbraw/zinc/31/86/08/590318608.db2.gz GGQUIAVMWBPSDH-NSHDSACASA-N 1 3 219.288 -0.224 20 0 BBADHO C[C@H](N)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877371062 645792859 /nfs/dbraw/zinc/79/28/59/645792859.db2.gz KVKXGMCYVLTBAG-ACZMJKKPSA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371063 645794933 /nfs/dbraw/zinc/79/49/33/645794933.db2.gz KVKXGMCYVLTBAG-DSYKOEDSSA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371064 645794626 /nfs/dbraw/zinc/79/46/26/645794626.db2.gz KVKXGMCYVLTBAG-FSDSQADBSA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371065 645793678 /nfs/dbraw/zinc/79/36/78/645793678.db2.gz KVKXGMCYVLTBAG-LYFYHCNISA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877371066 645792780 /nfs/dbraw/zinc/79/27/80/645792780.db2.gz KVKXGMCYVLTBAG-QYNIQEEDSA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371067 645793909 /nfs/dbraw/zinc/79/39/09/645793909.db2.gz KVKXGMCYVLTBAG-RRKCRQDMSA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@@H](N)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877371068 645792853 /nfs/dbraw/zinc/79/28/53/645792853.db2.gz KVKXGMCYVLTBAG-VQVTYTSYSA-N 1 3 239.241 -0.071 20 0 BBADHO C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877371069 645794949 /nfs/dbraw/zinc/79/49/49/645794949.db2.gz KVKXGMCYVLTBAG-XVMARJQXSA-N 1 3 239.241 -0.071 20 0 BBADHO CC[C@@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373506 645794229 /nfs/dbraw/zinc/79/42/29/645794229.db2.gz AIJCOINQYMRPMZ-IQJOONFLSA-N 1 3 211.309 -0.208 20 0 BBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CNC1CC1)C2 ZINC000877374280 590320264 /nfs/dbraw/zinc/32/02/64/590320264.db2.gz DFSFOEZOWSVENU-JOYOIKCWSA-N 1 3 223.320 -0.194 20 0 BBADHO CC[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877378999 590319906 /nfs/dbraw/zinc/31/99/06/590319906.db2.gz AIJCOINQYMRPMZ-ATZCPNFKSA-N 1 3 211.309 -0.208 20 0 BBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@]1(F)CCNC1)C2 ZINC000877379845 590319813 /nfs/dbraw/zinc/31/98/13/590319813.db2.gz OAQCWURBVMCMSP-MVWJERBFSA-N 1 3 241.310 -0.244 20 0 BBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]1(F)CCNC1)C2 ZINC000877379849 583312594 /nfs/dbraw/zinc/31/25/94/583312594.db2.gz OAQCWURBVMCMSP-WCQGTBRESA-N 1 3 241.310 -0.244 20 0 BBADHO CCNCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379872 590319962 /nfs/dbraw/zinc/31/99/62/590319962.db2.gz OPZLRSGAHZDDHS-GXSJLCMTSA-N 1 3 211.309 -0.336 20 0 BBADHO CC(C)(N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380036 590318281 /nfs/dbraw/zinc/31/82/81/590318281.db2.gz PKOZASKXJPZZHL-GZMMTYOYSA-N 1 3 211.309 -0.208 20 0 BBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1(N)CC1)C2 ZINC000877380051 590321094 /nfs/dbraw/zinc/32/10/94/590321094.db2.gz PVYNZPMIASWGFN-WCBMZHEXSA-N 1 3 209.293 -0.454 20 0 BBADHO COCCNCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380183 590320841 /nfs/dbraw/zinc/32/08/41/590320841.db2.gz WPKHULKQXVJOCC-CMPLNLGQSA-N 1 3 241.335 -0.710 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877387431 590321748 /nfs/dbraw/zinc/32/17/48/590321748.db2.gz YUGFGMWDIBZMKS-HOSYDEDBSA-N 1 3 240.351 -0.724 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387432 590321242 /nfs/dbraw/zinc/32/12/42/590321242.db2.gz YUGFGMWDIBZMKS-JBLDHEPKSA-N 1 3 240.351 -0.724 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387433 590321443 /nfs/dbraw/zinc/32/14/43/590321443.db2.gz YUGFGMWDIBZMKS-NHCYSSNCSA-N 1 3 240.351 -0.724 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877387434 590321784 /nfs/dbraw/zinc/32/17/84/590321784.db2.gz YUGFGMWDIBZMKS-UMNHJUIQSA-N 1 3 240.351 -0.724 20 0 BBADHO CN[C@@H](C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387874 590321709 /nfs/dbraw/zinc/32/17/09/590321709.db2.gz RVXVTVBKOQSJEW-ATZCPNFKSA-N 1 3 211.309 -0.005 20 0 BBADHO CN[C@@H](C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877387876 590321223 /nfs/dbraw/zinc/32/12/23/590321223.db2.gz RVXVTVBKOQSJEW-IQJOONFLSA-N 1 3 211.309 -0.005 20 0 BBADHO CN[C@@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877387878 590321658 /nfs/dbraw/zinc/32/16/58/590321658.db2.gz RVXVTVBKOQSJEW-NGZCFLSTSA-N 1 3 211.309 -0.005 20 0 BBADHO CN[C@@H](C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387879 590321467 /nfs/dbraw/zinc/32/14/67/590321467.db2.gz RVXVTVBKOQSJEW-QXEWZRGKSA-N 1 3 211.309 -0.005 20 0 BBADHO CCNCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398261 590323255 /nfs/dbraw/zinc/32/32/55/590323255.db2.gz COTKBEXRSAEYAF-GXSJLCMTSA-N 1 3 211.309 -0.003 20 0 BBADHO CCNCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877398264 590322985 /nfs/dbraw/zinc/32/29/85/590322985.db2.gz COTKBEXRSAEYAF-KOLCDFICSA-N 1 3 211.309 -0.003 20 0 BBADHO CCNCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877398267 590323097 /nfs/dbraw/zinc/32/30/97/590323097.db2.gz COTKBEXRSAEYAF-MWLCHTKSSA-N 1 3 211.309 -0.003 20 0 BBADHO CCNCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398270 590323194 /nfs/dbraw/zinc/32/31/94/590323194.db2.gz COTKBEXRSAEYAF-ONGXEEELSA-N 1 3 211.309 -0.003 20 0 BBADHO COCCNCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398459 590322963 /nfs/dbraw/zinc/32/29/63/590322963.db2.gz FPUTYICIYVZMAN-CMPLNLGQSA-N 1 3 241.335 -0.377 20 0 BBADHO COCCNCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398460 590323201 /nfs/dbraw/zinc/32/32/01/590323201.db2.gz FPUTYICIYVZMAN-JQWIXIFHSA-N 1 3 241.335 -0.377 20 0 BBADHO COCCNCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877398462 590322991 /nfs/dbraw/zinc/32/29/91/590322991.db2.gz FPUTYICIYVZMAN-PWSUYJOCSA-N 1 3 241.335 -0.377 20 0 BBADHO COCCNCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877398463 590322849 /nfs/dbraw/zinc/32/28/49/590322849.db2.gz FPUTYICIYVZMAN-ZYHUDNBSSA-N 1 3 241.335 -0.377 20 0 BBADHO CN(C)C[C@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877435882 590326686 /nfs/dbraw/zinc/32/66/86/590326686.db2.gz ZFMWTSCIVAGSDA-NSHDSACASA-N 1 3 244.383 -0.147 20 0 BBADHO C[NH+](C)CC1CCN(CCn2cnnn2)CC1 ZINC000877969923 590462309 /nfs/dbraw/zinc/46/23/09/590462309.db2.gz IKQCLXOARQLOAX-UHFFFAOYSA-N 1 3 238.339 -0.053 20 0 BBADHO CN1CC[C@@]2(CC[N@@H+](CCn3cnnn3)C2)C1 ZINC000878645509 590601345 /nfs/dbraw/zinc/60/13/45/590601345.db2.gz NLSYFVQZJAKPHW-LLVKDONJSA-N 1 3 236.323 -0.299 20 0 BBADHO CN1CC[C@@]2(CC[N@H+](CCn3cnnn3)C2)C1 ZINC000878645509 590601343 /nfs/dbraw/zinc/60/13/43/590601343.db2.gz NLSYFVQZJAKPHW-LLVKDONJSA-N 1 3 236.323 -0.299 20 0 BBADHO CN1CC[C@]2(CC[N@@H+](CCn3cnnn3)C2)C1 ZINC000878645510 590600906 /nfs/dbraw/zinc/60/09/06/590600906.db2.gz NLSYFVQZJAKPHW-NSHDSACASA-N 1 3 236.323 -0.299 20 0 BBADHO CN1CC[C@]2(CC[N@H+](CCn3cnnn3)C2)C1 ZINC000878645510 590600905 /nfs/dbraw/zinc/60/09/05/590600905.db2.gz NLSYFVQZJAKPHW-NSHDSACASA-N 1 3 236.323 -0.299 20 0 BBADHO C[C@](C[NH3+])(NCCn1cnnn1)C1CC1 ZINC000883418346 591653767 /nfs/dbraw/zinc/65/37/67/591653767.db2.gz FMEYEJQSZJMUKZ-SECBINFHSA-N 1 3 210.285 -0.610 20 0 BBADHO C[C@@](C[NH3+])(NCCn1cnnn1)C1CC1 ZINC000883418347 591654137 /nfs/dbraw/zinc/65/41/37/591654137.db2.gz FMEYEJQSZJMUKZ-VIFPVBQESA-N 1 3 210.285 -0.610 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NCCn1cnnn1 ZINC000883419032 591654673 /nfs/dbraw/zinc/65/46/73/591654673.db2.gz YMLFDPVIHDWBLQ-SECBINFHSA-N 1 3 212.301 -0.364 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NCCn1cnnn1 ZINC000883419033 591654825 /nfs/dbraw/zinc/65/48/25/591654825.db2.gz YMLFDPVIHDWBLQ-VIFPVBQESA-N 1 3 212.301 -0.364 20 0 BBADHO c1nnnn1CCN1CCC2(CC[NH2+]C2)CC1 ZINC000883427867 591660069 /nfs/dbraw/zinc/66/00/69/591660069.db2.gz FHHXJBYFQKMUAK-UHFFFAOYSA-N 1 3 236.323 -0.251 20 0 BBADHO CC1(C)CNCC[C@H]1[NH2+]CCn1cnnn1 ZINC000883430644 591661602 /nfs/dbraw/zinc/66/16/02/591661602.db2.gz ZHGBZACQGJWICO-SECBINFHSA-N 1 3 224.312 -0.349 20 0 BBADHO CC1(C)CNCC[C@@H]1[NH2+]CCn1cnnn1 ZINC000883430645 591661620 /nfs/dbraw/zinc/66/16/20/591661620.db2.gz ZHGBZACQGJWICO-VIFPVBQESA-N 1 3 224.312 -0.349 20 0 BBADHO O[C@@H]1C[C@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CCN2C1 ZINC000883435683 591665341 /nfs/dbraw/zinc/66/53/41/591665341.db2.gz ZJXVQTLDRCFDBV-FIQHERPVSA-N 1 3 243.326 -0.563 20 0 BBADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCn1cnnn1 ZINC000883441675 591669707 /nfs/dbraw/zinc/66/97/07/591669707.db2.gz VEWXNECLZGAWML-HTQZYQBOSA-N 1 3 210.285 -0.612 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCn1cnnn1 ZINC000883441675 591669703 /nfs/dbraw/zinc/66/97/03/591669703.db2.gz VEWXNECLZGAWML-HTQZYQBOSA-N 1 3 210.285 -0.612 20 0 BBADHO CC1(C)[C@H]([NH2+]CCn2cnnn2)C[C@@H]1N ZINC000883441676 591669786 /nfs/dbraw/zinc/66/97/86/591669786.db2.gz VEWXNECLZGAWML-JGVFFNPUSA-N 1 3 210.285 -0.612 20 0 BBADHO CC1(C)[C@H](NCCn2cnnn2)C[C@@H]1[NH3+] ZINC000883441676 591669781 /nfs/dbraw/zinc/66/97/81/591669781.db2.gz VEWXNECLZGAWML-JGVFFNPUSA-N 1 3 210.285 -0.612 20 0 BBADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCn1cnnn1 ZINC000883441677 591670161 /nfs/dbraw/zinc/67/01/61/591670161.db2.gz VEWXNECLZGAWML-SFYZADRCSA-N 1 3 210.285 -0.612 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCn1cnnn1 ZINC000883441677 591670159 /nfs/dbraw/zinc/67/01/59/591670159.db2.gz VEWXNECLZGAWML-SFYZADRCSA-N 1 3 210.285 -0.612 20 0 BBADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCn1cnnn1 ZINC000883441678 591669427 /nfs/dbraw/zinc/66/94/27/591669427.db2.gz VEWXNECLZGAWML-YUMQZZPRSA-N 1 3 210.285 -0.612 20 0 BBADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCn1cnnn1 ZINC000883441678 591669426 /nfs/dbraw/zinc/66/94/26/591669426.db2.gz VEWXNECLZGAWML-YUMQZZPRSA-N 1 3 210.285 -0.612 20 0 BBADHO Cn1nnnc1CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000883441889 591670114 /nfs/dbraw/zinc/67/01/14/591670114.db2.gz ZNMIIZQFZCCJJF-HTQZYQBOSA-N 1 3 224.312 -0.532 20 0 BBADHO Cn1nnnc1CCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000883441889 591670111 /nfs/dbraw/zinc/67/01/11/591670111.db2.gz ZNMIIZQFZCCJJF-HTQZYQBOSA-N 1 3 224.312 -0.532 20 0 BBADHO Cn1nnnc1CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000883441890 591669461 /nfs/dbraw/zinc/66/94/61/591669461.db2.gz ZNMIIZQFZCCJJF-JGVFFNPUSA-N 1 3 224.312 -0.532 20 0 BBADHO Cn1nnnc1CCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000883441890 591669456 /nfs/dbraw/zinc/66/94/56/591669456.db2.gz ZNMIIZQFZCCJJF-JGVFFNPUSA-N 1 3 224.312 -0.532 20 0 BBADHO Cn1nnnc1CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000883441891 591670107 /nfs/dbraw/zinc/67/01/07/591670107.db2.gz ZNMIIZQFZCCJJF-SFYZADRCSA-N 1 3 224.312 -0.532 20 0 BBADHO Cn1nnnc1CCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000883441891 591670104 /nfs/dbraw/zinc/67/01/04/591670104.db2.gz ZNMIIZQFZCCJJF-SFYZADRCSA-N 1 3 224.312 -0.532 20 0 BBADHO Cn1nnnc1CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000883441892 591669891 /nfs/dbraw/zinc/66/98/91/591669891.db2.gz ZNMIIZQFZCCJJF-YUMQZZPRSA-N 1 3 224.312 -0.532 20 0 BBADHO Cn1nnnc1CCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000883441892 591669888 /nfs/dbraw/zinc/66/98/88/591669888.db2.gz ZNMIIZQFZCCJJF-YUMQZZPRSA-N 1 3 224.312 -0.532 20 0 BBADHO CC(=O)N1C[C@H]2CN(CCC[NH3+])C[C@H]2C1 ZINC000883448535 591671105 /nfs/dbraw/zinc/67/11/05/591671105.db2.gz IEIMABFEESODIY-PHIMTYICSA-N 1 3 211.309 -0.255 20 0 BBADHO [NH3+]CCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884004987 591793096 /nfs/dbraw/zinc/79/30/96/591793096.db2.gz QHEHPBIZVQFCBS-UHFFFAOYSA-N 1 3 249.318 -0.820 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000884005810 591793402 /nfs/dbraw/zinc/79/34/02/591793402.db2.gz VWKWQGQYEXUCFJ-JTQLQIEISA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000884005811 591793062 /nfs/dbraw/zinc/79/30/62/591793062.db2.gz VWKWQGQYEXUCFJ-SNVBAGLBSA-N 1 3 211.309 -0.018 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884009574 591797654 /nfs/dbraw/zinc/79/76/54/591797654.db2.gz ZZFRZQWDAFGNPX-NXEZZACHSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884009575 591797675 /nfs/dbraw/zinc/79/76/75/591797675.db2.gz ZZFRZQWDAFGNPX-UWVGGRQHSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+][C@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884009576 591797825 /nfs/dbraw/zinc/79/78/25/591797825.db2.gz ZZFRZQWDAFGNPX-VHSXEESVSA-N 1 3 211.309 -0.066 20 0 BBADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884009577 591797910 /nfs/dbraw/zinc/79/79/10/591797910.db2.gz ZZFRZQWDAFGNPX-ZJUUUORDSA-N 1 3 211.309 -0.066 20 0 BBADHO CO[C@@H](CN)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000884012227 591799118 /nfs/dbraw/zinc/79/91/18/591799118.db2.gz DJSSRHCPLDKQMT-NSHDSACASA-N 1 3 241.335 -0.297 20 0 BBADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884012869 591798877 /nfs/dbraw/zinc/79/88/77/591798877.db2.gz XMWGWQPNUBZQBD-NXEZZACHSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884012870 591799066 /nfs/dbraw/zinc/79/90/66/591799066.db2.gz XMWGWQPNUBZQBD-UWVGGRQHSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@H](CC1CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884012871 591798839 /nfs/dbraw/zinc/79/88/39/591798839.db2.gz XMWGWQPNUBZQBD-VHSXEESVSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884012872 591799108 /nfs/dbraw/zinc/79/91/08/591799108.db2.gz XMWGWQPNUBZQBD-ZJUUUORDSA-N 1 3 211.309 -0.018 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000884013980 591799548 /nfs/dbraw/zinc/79/95/48/591799548.db2.gz XTGIUKVRWXWIQN-AEJSXWLSSA-N 1 3 229.324 -0.312 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000884013981 591799692 /nfs/dbraw/zinc/79/96/92/591799692.db2.gz XTGIUKVRWXWIQN-BBBLOLIVSA-N 1 3 229.324 -0.312 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000884013982 591799565 /nfs/dbraw/zinc/79/95/65/591799565.db2.gz XTGIUKVRWXWIQN-GUBZILKMSA-N 1 3 229.324 -0.312 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000884013983 591799731 /nfs/dbraw/zinc/79/97/31/591799731.db2.gz XTGIUKVRWXWIQN-UTLUCORTSA-N 1 3 229.324 -0.312 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017614 591800449 /nfs/dbraw/zinc/80/04/49/591800449.db2.gz AZLDDSHINPTGPE-NXEZZACHSA-N 1 3 229.324 -0.392 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017615 591800424 /nfs/dbraw/zinc/80/04/24/591800424.db2.gz AZLDDSHINPTGPE-UWVGGRQHSA-N 1 3 229.324 -0.392 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017616 591799982 /nfs/dbraw/zinc/79/99/82/591799982.db2.gz AZLDDSHINPTGPE-VHSXEESVSA-N 1 3 229.324 -0.392 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017617 591800713 /nfs/dbraw/zinc/80/07/13/591800713.db2.gz AZLDDSHINPTGPE-ZJUUUORDSA-N 1 3 229.324 -0.392 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCNC[C@H]1C ZINC000884018576 591800496 /nfs/dbraw/zinc/80/04/96/591800496.db2.gz YGGKPYALEAHYFP-BDAKNGLRSA-N 1 3 215.297 -0.830 20 0 BBADHO COCC[C@@H]([NH3+])C(=O)N1CCNC[C@@H]1C ZINC000884018577 591800648 /nfs/dbraw/zinc/80/06/48/591800648.db2.gz YGGKPYALEAHYFP-DTWKUNHWSA-N 1 3 215.297 -0.830 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C ZINC000884018578 591800728 /nfs/dbraw/zinc/80/07/28/591800728.db2.gz YGGKPYALEAHYFP-IUCAKERBSA-N 1 3 215.297 -0.830 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000884019156 591801891 /nfs/dbraw/zinc/80/18/91/591801891.db2.gz NHELSPRMNWKCPV-AEJSXWLSSA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000884019157 591801656 /nfs/dbraw/zinc/80/16/56/591801656.db2.gz NHELSPRMNWKCPV-BBBLOLIVSA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000884019158 591801198 /nfs/dbraw/zinc/80/11/98/591801198.db2.gz NHELSPRMNWKCPV-GUBZILKMSA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000884019159 591801395 /nfs/dbraw/zinc/80/13/95/591801395.db2.gz NHELSPRMNWKCPV-UTLUCORTSA-N 1 3 229.324 -0.536 20 0 BBADHO N[C@H](CC1CC1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884020304 591801314 /nfs/dbraw/zinc/80/13/14/591801314.db2.gz UONXINOIHCBWEO-NXEZZACHSA-N 1 3 211.309 -0.079 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884020305 591801597 /nfs/dbraw/zinc/80/15/97/591801597.db2.gz UONXINOIHCBWEO-UWVGGRQHSA-N 1 3 211.309 -0.079 20 0 BBADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884020306 591801801 /nfs/dbraw/zinc/80/18/01/591801801.db2.gz UONXINOIHCBWEO-VHSXEESVSA-N 1 3 211.309 -0.079 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884020307 591801716 /nfs/dbraw/zinc/80/17/16/591801716.db2.gz UONXINOIHCBWEO-ZJUUUORDSA-N 1 3 211.309 -0.079 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884024247 591805194 /nfs/dbraw/zinc/80/51/94/591805194.db2.gz MCBZQPNKQFDUFM-NXEZZACHSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884024248 591804788 /nfs/dbraw/zinc/80/47/88/591804788.db2.gz MCBZQPNKQFDUFM-UWVGGRQHSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884024249 591804675 /nfs/dbraw/zinc/80/46/75/591804675.db2.gz MCBZQPNKQFDUFM-VHSXEESVSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884024250 591804984 /nfs/dbraw/zinc/80/49/84/591804984.db2.gz MCBZQPNKQFDUFM-ZJUUUORDSA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NCC[NH2+]C1CC1 ZINC000884025254 591806161 /nfs/dbraw/zinc/80/61/61/591806161.db2.gz QSWCKFPRHOVCNR-JTQLQIEISA-N 1 3 211.309 -0.018 20 0 BBADHO N[C@H](CC1CC1)C(=O)NCC[NH2+]C1CC1 ZINC000884025255 591805910 /nfs/dbraw/zinc/80/59/10/591805910.db2.gz QSWCKFPRHOVCNR-SNVBAGLBSA-N 1 3 211.309 -0.018 20 0 BBADHO COCC[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000884025622 591807143 /nfs/dbraw/zinc/80/71/43/591807143.db2.gz BVSUZFNEJGXOLA-JTQLQIEISA-N 1 3 231.340 -0.146 20 0 BBADHO COCC[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000884025623 591807324 /nfs/dbraw/zinc/80/73/24/591807324.db2.gz BVSUZFNEJGXOLA-SNVBAGLBSA-N 1 3 231.340 -0.146 20 0 BBADHO CCCN(C(=O)[C@H](N)CCOC)[C@@H]1CC[NH2+]C1 ZINC000884026387 591808604 /nfs/dbraw/zinc/80/86/04/591808604.db2.gz BIHMIKUFWUCFDT-GHMZBOCLSA-N 1 3 243.351 -0.049 20 0 BBADHO CCCN(C(=O)[C@@H](N)CCOC)[C@@H]1CC[NH2+]C1 ZINC000884026388 591809046 /nfs/dbraw/zinc/80/90/46/591809046.db2.gz BIHMIKUFWUCFDT-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CCCN(C(=O)[C@@H](N)CCOC)[C@H]1CC[NH2+]C1 ZINC000884026389 591808713 /nfs/dbraw/zinc/80/87/13/591808713.db2.gz BIHMIKUFWUCFDT-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CCCN(C(=O)[C@H](N)CCOC)[C@H]1CC[NH2+]C1 ZINC000884026390 591809326 /nfs/dbraw/zinc/80/93/26/591809326.db2.gz BIHMIKUFWUCFDT-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO CN(C(=O)[C@H](N)CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000884029475 591814261 /nfs/dbraw/zinc/81/42/61/591814261.db2.gz NDYUJVLCCWCAKA-NXEZZACHSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C(=O)[C@@H](N)CC1CC1)[C@H]1CC[NH2+]C1 ZINC000884029476 591813517 /nfs/dbraw/zinc/81/35/17/591813517.db2.gz NDYUJVLCCWCAKA-UWVGGRQHSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C(=O)[C@H](N)CC1CC1)[C@H]1CC[NH2+]C1 ZINC000884029477 591813894 /nfs/dbraw/zinc/81/38/94/591813894.db2.gz NDYUJVLCCWCAKA-VHSXEESVSA-N 1 3 211.309 -0.066 20 0 BBADHO CN(C(=O)[C@@H](N)CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000884029478 591814115 /nfs/dbraw/zinc/81/41/15/591814115.db2.gz NDYUJVLCCWCAKA-ZJUUUORDSA-N 1 3 211.309 -0.066 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000884029933 591813496 /nfs/dbraw/zinc/81/34/96/591813496.db2.gz AQGDCOCFLFDUFL-AEJSXWLSSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000884029934 591814136 /nfs/dbraw/zinc/81/41/36/591814136.db2.gz AQGDCOCFLFDUFL-BBBLOLIVSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000884029935 591814279 /nfs/dbraw/zinc/81/42/79/591814279.db2.gz AQGDCOCFLFDUFL-GUBZILKMSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000884029936 591813482 /nfs/dbraw/zinc/81/34/82/591813482.db2.gz AQGDCOCFLFDUFL-KXUCPTDWSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000884030287 591813882 /nfs/dbraw/zinc/81/38/82/591813882.db2.gz LHFRVEVMZNASRK-SECBINFHSA-N 1 3 229.324 -0.262 20 0 BBADHO COCC[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000884030288 591814252 /nfs/dbraw/zinc/81/42/52/591814252.db2.gz LHFRVEVMZNASRK-VIFPVBQESA-N 1 3 229.324 -0.262 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000884030806 591813468 /nfs/dbraw/zinc/81/34/68/591813468.db2.gz YFUKBPKGNZQZQG-CIUDSAMLSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000884030807 591813563 /nfs/dbraw/zinc/81/35/63/591813563.db2.gz YFUKBPKGNZQZQG-HLTSFMKQSA-N 1 3 215.297 -0.831 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)[C@H](N)CCOC ZINC000884031384 591815531 /nfs/dbraw/zinc/81/55/31/591815531.db2.gz OAZHPFKFOTVLAW-SECBINFHSA-N 1 3 231.340 -0.016 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)[C@@H](N)CCOC ZINC000884031385 591814938 /nfs/dbraw/zinc/81/49/38/591814938.db2.gz OAZHPFKFOTVLAW-VIFPVBQESA-N 1 3 231.340 -0.016 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000884032582 591816296 /nfs/dbraw/zinc/81/62/96/591816296.db2.gz WKUFCMLAYWTPRB-NXEZZACHSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000884032583 591816098 /nfs/dbraw/zinc/81/60/98/591816098.db2.gz WKUFCMLAYWTPRB-UWVGGRQHSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000884032584 591816782 /nfs/dbraw/zinc/81/67/82/591816782.db2.gz WKUFCMLAYWTPRB-VHSXEESVSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000884032585 591816139 /nfs/dbraw/zinc/81/61/39/591816139.db2.gz WKUFCMLAYWTPRB-ZJUUUORDSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000884033599 591816491 /nfs/dbraw/zinc/81/64/91/591816491.db2.gz PZUQQWDKEHKCHK-AXFHLTTASA-N 1 3 243.351 -0.064 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000884033600 591816640 /nfs/dbraw/zinc/81/66/40/591816640.db2.gz PZUQQWDKEHKCHK-DCAQKATOSA-N 1 3 243.351 -0.064 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000884033601 591816017 /nfs/dbraw/zinc/81/60/17/591816017.db2.gz PZUQQWDKEHKCHK-MXWKQRLJSA-N 1 3 243.351 -0.064 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000884033602 591816393 /nfs/dbraw/zinc/81/63/93/591816393.db2.gz PZUQQWDKEHKCHK-VWYCJHECSA-N 1 3 243.351 -0.064 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000884033978 591816530 /nfs/dbraw/zinc/81/65/30/591816530.db2.gz WSJAXGVBFPVAJN-AEJSXWLSSA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000884033979 591816659 /nfs/dbraw/zinc/81/66/59/591816659.db2.gz WSJAXGVBFPVAJN-BBBLOLIVSA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000884033980 591815791 /nfs/dbraw/zinc/81/57/91/591815791.db2.gz WSJAXGVBFPVAJN-GUBZILKMSA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000884033981 591815949 /nfs/dbraw/zinc/81/59/49/591815949.db2.gz WSJAXGVBFPVAJN-UTLUCORTSA-N 1 3 229.324 -0.454 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000884034236 591816439 /nfs/dbraw/zinc/81/64/39/591816439.db2.gz ATFMRZGPQLKPOC-DCAQKATOSA-N 1 3 243.351 -0.064 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000884034237 591816221 /nfs/dbraw/zinc/81/62/21/591816221.db2.gz ATFMRZGPQLKPOC-GARJFASQSA-N 1 3 243.351 -0.064 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000884034238 591816255 /nfs/dbraw/zinc/81/62/55/591816255.db2.gz ATFMRZGPQLKPOC-OUAUKWLOSA-N 1 3 243.351 -0.064 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000884034239 591816691 /nfs/dbraw/zinc/81/66/91/591816691.db2.gz ATFMRZGPQLKPOC-VWYCJHECSA-N 1 3 243.351 -0.064 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000884034788 591817888 /nfs/dbraw/zinc/81/78/88/591817888.db2.gz LPGMTTSNXPNSIC-AEJSXWLSSA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000884034789 591817583 /nfs/dbraw/zinc/81/75/83/591817583.db2.gz LPGMTTSNXPNSIC-BBBLOLIVSA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000884034790 591817730 /nfs/dbraw/zinc/81/77/30/591817730.db2.gz LPGMTTSNXPNSIC-GUBZILKMSA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000884034791 591817213 /nfs/dbraw/zinc/81/72/13/591817213.db2.gz LPGMTTSNXPNSIC-UTLUCORTSA-N 1 3 229.324 -0.454 20 0 BBADHO COCC[C@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000884035734 591817240 /nfs/dbraw/zinc/81/72/40/591817240.db2.gz FTEKWUBQJNAIEY-GXSJLCMTSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000884035735 591817957 /nfs/dbraw/zinc/81/79/57/591817957.db2.gz FTEKWUBQJNAIEY-KOLCDFICSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000884035736 591817481 /nfs/dbraw/zinc/81/74/81/591817481.db2.gz FTEKWUBQJNAIEY-MWLCHTKSSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000884035737 591817273 /nfs/dbraw/zinc/81/72/73/591817273.db2.gz FTEKWUBQJNAIEY-ONGXEEELSA-N 1 3 231.340 -0.160 20 0 BBADHO N[C@H](CC1CC1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884037104 591818598 /nfs/dbraw/zinc/81/85/98/591818598.db2.gz PHNWVZBFTRDRTL-NXEZZACHSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884037105 591818330 /nfs/dbraw/zinc/81/83/30/591818330.db2.gz PHNWVZBFTRDRTL-UWVGGRQHSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884037106 591819137 /nfs/dbraw/zinc/81/91/37/591819137.db2.gz PHNWVZBFTRDRTL-VHSXEESVSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H](CC1CC1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884037107 591818517 /nfs/dbraw/zinc/81/85/17/591818517.db2.gz PHNWVZBFTRDRTL-ZJUUUORDSA-N 1 3 211.309 -0.033 20 0 BBADHO COCC[C@@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000884037536 591818298 /nfs/dbraw/zinc/81/82/98/591818298.db2.gz CNOKFDFBOTUUPW-SECBINFHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000884037537 591818981 /nfs/dbraw/zinc/81/89/81/591818981.db2.gz CNOKFDFBOTUUPW-VIFPVBQESA-N 1 3 229.324 -0.439 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)[C@H](N)CCOC ZINC000884039468 591822017 /nfs/dbraw/zinc/82/20/17/591822017.db2.gz PQRCMYACISHXDK-SECBINFHSA-N 1 3 231.340 -0.016 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CCOC ZINC000884039469 591822009 /nfs/dbraw/zinc/82/20/09/591822009.db2.gz PQRCMYACISHXDK-VIFPVBQESA-N 1 3 231.340 -0.016 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000884040770 591823098 /nfs/dbraw/zinc/82/30/98/591823098.db2.gz CRVGFURSFMUIFP-RTBKNWGFSA-N 1 3 229.324 -0.312 20 0 BBADHO COCC[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000884041428 591823241 /nfs/dbraw/zinc/82/32/41/591823241.db2.gz XWXCDFOMYROXIC-SECBINFHSA-N 1 3 231.340 -0.207 20 0 BBADHO COCC[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000884041429 591823321 /nfs/dbraw/zinc/82/33/21/591823321.db2.gz XWXCDFOMYROXIC-VIFPVBQESA-N 1 3 231.340 -0.207 20 0 BBADHO CN1CCN(C(=O)[C@H](N)CC2CC2)[C@H](C[NH3+])C1 ZINC000884042044 591823714 /nfs/dbraw/zinc/82/37/14/591823714.db2.gz ONAOIXMMRGQIHY-GHMZBOCLSA-N 1 3 240.351 -0.785 20 0 BBADHO CN1CCN(C(=O)[C@@H](N)CC2CC2)[C@H](C[NH3+])C1 ZINC000884042045 591823690 /nfs/dbraw/zinc/82/36/90/591823690.db2.gz ONAOIXMMRGQIHY-MNOVXSKESA-N 1 3 240.351 -0.785 20 0 BBADHO CN1CCN(C(=O)[C@@H](N)CC2CC2)[C@@H](C[NH3+])C1 ZINC000884042046 584939964 /nfs/dbraw/zinc/93/99/64/584939964.db2.gz ONAOIXMMRGQIHY-QWRGUYRKSA-N 1 3 240.351 -0.785 20 0 BBADHO CN1CCN(C(=O)[C@H](N)CC2CC2)[C@@H](C[NH3+])C1 ZINC000884042047 584940023 /nfs/dbraw/zinc/94/00/23/584940023.db2.gz ONAOIXMMRGQIHY-WDEREUQCSA-N 1 3 240.351 -0.785 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CCOC ZINC000884042740 591825212 /nfs/dbraw/zinc/82/52/12/591825212.db2.gz HGDYROIITKOGFK-NXEZZACHSA-N 1 3 231.340 -0.016 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CCOC ZINC000884042741 591824609 /nfs/dbraw/zinc/82/46/09/591824609.db2.gz HGDYROIITKOGFK-UWVGGRQHSA-N 1 3 231.340 -0.016 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CCOC ZINC000884042742 591824410 /nfs/dbraw/zinc/82/44/10/591824410.db2.gz HGDYROIITKOGFK-VHSXEESVSA-N 1 3 231.340 -0.016 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CCOC ZINC000884042743 591824524 /nfs/dbraw/zinc/82/45/24/591824524.db2.gz HGDYROIITKOGFK-ZJUUUORDSA-N 1 3 231.340 -0.016 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](N)CC2CC2)CCO1 ZINC000884043081 591825109 /nfs/dbraw/zinc/82/51/09/591825109.db2.gz OAXGQCDHCYJDIR-GDPRMGEGSA-N 1 3 241.335 -0.312 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)CC2CC2)CCO1 ZINC000884043082 591824979 /nfs/dbraw/zinc/82/49/79/591824979.db2.gz OAXGQCDHCYJDIR-INTQDDNPSA-N 1 3 241.335 -0.312 20 0 BBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](N)CC2CC2)CCO1 ZINC000884043083 591824803 /nfs/dbraw/zinc/82/48/03/591824803.db2.gz OAXGQCDHCYJDIR-JMJZKYOTSA-N 1 3 241.335 -0.312 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)CCO1 ZINC000884043084 591824512 /nfs/dbraw/zinc/82/45/12/591824512.db2.gz OAXGQCDHCYJDIR-LSJOCFKGSA-N 1 3 241.335 -0.312 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884195647 591872969 /nfs/dbraw/zinc/87/29/69/591872969.db2.gz UYUJAXVOIBLIFX-AXFHLTTASA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884195647 591872966 /nfs/dbraw/zinc/87/29/66/591872966.db2.gz UYUJAXVOIBLIFX-AXFHLTTASA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884195648 591871436 /nfs/dbraw/zinc/87/14/36/591871436.db2.gz UYUJAXVOIBLIFX-MXWKQRLJSA-N 1 3 241.335 -0.297 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884195648 591871434 /nfs/dbraw/zinc/87/14/34/591871434.db2.gz UYUJAXVOIBLIFX-MXWKQRLJSA-N 1 3 241.335 -0.297 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000884195990 591871646 /nfs/dbraw/zinc/87/16/46/591871646.db2.gz FEDGJPFAHIZVAX-GHMZBOCLSA-N 1 3 243.351 -0.193 20 0 BBADHO COCC[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000884195991 591872988 /nfs/dbraw/zinc/87/29/88/591872988.db2.gz FEDGJPFAHIZVAX-MNOVXSKESA-N 1 3 243.351 -0.193 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000884195992 591872496 /nfs/dbraw/zinc/87/24/96/591872496.db2.gz FEDGJPFAHIZVAX-QWRGUYRKSA-N 1 3 243.351 -0.193 20 0 BBADHO COCC[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000884195993 591872930 /nfs/dbraw/zinc/87/29/30/591872930.db2.gz FEDGJPFAHIZVAX-WDEREUQCSA-N 1 3 243.351 -0.193 20 0 BBADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](CN)OC ZINC000884222184 645870867 /nfs/dbraw/zinc/87/08/67/645870867.db2.gz KCQYOBPMTZVBET-MNOVXSKESA-N 1 3 243.351 -0.049 20 0 BBADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](CN)OC ZINC000884222185 712644048 /nfs/dbraw/zinc/64/40/48/712644048.db2.gz KCQYOBPMTZVBET-QWRGUYRKSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000884222657 645870663 /nfs/dbraw/zinc/87/06/63/645870663.db2.gz WMYKNYMMUGNUHR-AXFHLTTASA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000884222658 645870524 /nfs/dbraw/zinc/87/05/24/645870524.db2.gz WMYKNYMMUGNUHR-DCAQKATOSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000884222659 645870879 /nfs/dbraw/zinc/87/08/79/645870879.db2.gz WMYKNYMMUGNUHR-MXWKQRLJSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000884222660 645870465 /nfs/dbraw/zinc/87/04/65/645870465.db2.gz WMYKNYMMUGNUHR-VWYCJHECSA-N 1 3 243.351 -0.051 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000884226062 645870455 /nfs/dbraw/zinc/87/04/55/645870455.db2.gz JKXACIZNUXBRAV-AXFHLTTASA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000884226062 645870450 /nfs/dbraw/zinc/87/04/50/645870450.db2.gz JKXACIZNUXBRAV-AXFHLTTASA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000884226063 645870825 /nfs/dbraw/zinc/87/08/25/645870825.db2.gz JKXACIZNUXBRAV-DCAQKATOSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000884226063 645870823 /nfs/dbraw/zinc/87/08/23/645870823.db2.gz JKXACIZNUXBRAV-DCAQKATOSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000884226064 645870979 /nfs/dbraw/zinc/87/09/79/645870979.db2.gz JKXACIZNUXBRAV-MXWKQRLJSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000884226064 645870976 /nfs/dbraw/zinc/87/09/76/645870976.db2.gz JKXACIZNUXBRAV-MXWKQRLJSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000884226065 645870323 /nfs/dbraw/zinc/87/03/23/645870323.db2.gz JKXACIZNUXBRAV-VWYCJHECSA-N 1 3 243.351 -0.099 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000884226065 645870315 /nfs/dbraw/zinc/87/03/15/645870315.db2.gz JKXACIZNUXBRAV-VWYCJHECSA-N 1 3 243.351 -0.099 20 0 BBADHO COCC[C@@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000884227184 591875384 /nfs/dbraw/zinc/87/53/84/591875384.db2.gz KCOSQUGXSWIRQN-GHMZBOCLSA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[C@@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000884227184 591875383 /nfs/dbraw/zinc/87/53/83/591875383.db2.gz KCOSQUGXSWIRQN-GHMZBOCLSA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[C@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000884227185 591875413 /nfs/dbraw/zinc/87/54/13/591875413.db2.gz KCOSQUGXSWIRQN-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[C@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000884227185 591875411 /nfs/dbraw/zinc/87/54/11/591875411.db2.gz KCOSQUGXSWIRQN-MNOVXSKESA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[C@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000884227186 591875424 /nfs/dbraw/zinc/87/54/24/591875424.db2.gz KCOSQUGXSWIRQN-QWRGUYRKSA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[C@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000884227186 591875422 /nfs/dbraw/zinc/87/54/22/591875422.db2.gz KCOSQUGXSWIRQN-QWRGUYRKSA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[C@@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000884227187 591875431 /nfs/dbraw/zinc/87/54/31/591875431.db2.gz KCOSQUGXSWIRQN-WDEREUQCSA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[C@@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000884227187 591875429 /nfs/dbraw/zinc/87/54/29/591875429.db2.gz KCOSQUGXSWIRQN-WDEREUQCSA-N 1 3 243.351 -0.192 20 0 BBADHO COCC[C@@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884237491 591876468 /nfs/dbraw/zinc/87/64/68/591876468.db2.gz DVESFIBJEDIKHO-GHMZBOCLSA-N 1 3 241.335 -0.297 20 0 BBADHO COCC[C@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884237492 591876217 /nfs/dbraw/zinc/87/62/17/591876217.db2.gz DVESFIBJEDIKHO-MNOVXSKESA-N 1 3 241.335 -0.297 20 0 BBADHO COCC[C@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000884237493 591876950 /nfs/dbraw/zinc/87/69/50/591876950.db2.gz DVESFIBJEDIKHO-QWRGUYRKSA-N 1 3 241.335 -0.297 20 0 BBADHO COCC[C@@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000884237494 591876515 /nfs/dbraw/zinc/87/65/15/591876515.db2.gz DVESFIBJEDIKHO-WDEREUQCSA-N 1 3 241.335 -0.297 20 0 BBADHO COCCNCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884241949 591879712 /nfs/dbraw/zinc/87/97/12/591879712.db2.gz GRZCHPXVDJEAMA-JTQLQIEISA-N 1 3 243.351 -0.416 20 0 BBADHO COCCNCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884241950 591879610 /nfs/dbraw/zinc/87/96/10/591879610.db2.gz GRZCHPXVDJEAMA-SNVBAGLBSA-N 1 3 243.351 -0.416 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@@H](N)CC1CC1 ZINC000884242122 591878752 /nfs/dbraw/zinc/87/87/52/591878752.db2.gz MBKSGELYSJSDCN-JTQLQIEISA-N 1 3 229.324 -0.534 20 0 BBADHO COCC[NH2+]CCNC(=O)[C@H](N)CC1CC1 ZINC000884242123 591879061 /nfs/dbraw/zinc/87/90/61/591879061.db2.gz MBKSGELYSJSDCN-SNVBAGLBSA-N 1 3 229.324 -0.534 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884242379 591879274 /nfs/dbraw/zinc/87/92/74/591879274.db2.gz VJSPWLRIBKAYLY-NXEZZACHSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884242380 591879512 /nfs/dbraw/zinc/87/95/12/591879512.db2.gz VJSPWLRIBKAYLY-UWVGGRQHSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884242381 591878740 /nfs/dbraw/zinc/87/87/40/591878740.db2.gz VJSPWLRIBKAYLY-VHSXEESVSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884242382 591878654 /nfs/dbraw/zinc/87/86/54/591878654.db2.gz VJSPWLRIBKAYLY-ZJUUUORDSA-N 1 3 211.309 -0.033 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@H]1C ZINC000884244667 591882302 /nfs/dbraw/zinc/88/23/02/591882302.db2.gz JJDHUFMHSBRYAX-AEJSXWLSSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000884244668 591881768 /nfs/dbraw/zinc/88/17/68/591881768.db2.gz JJDHUFMHSBRYAX-BBBLOLIVSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000884244669 591882454 /nfs/dbraw/zinc/88/24/54/591882454.db2.gz JJDHUFMHSBRYAX-GUBZILKMSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000884244670 591881601 /nfs/dbraw/zinc/88/16/01/591881601.db2.gz JJDHUFMHSBRYAX-UTLUCORTSA-N 1 3 229.324 -0.441 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000884245435 591881609 /nfs/dbraw/zinc/88/16/09/591881609.db2.gz WEAVBSJIZKXXLZ-CIUDSAMLSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000884245436 591882110 /nfs/dbraw/zinc/88/21/10/591882110.db2.gz WEAVBSJIZKXXLZ-HLTSFMKQSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000884245437 591882079 /nfs/dbraw/zinc/88/20/79/591882079.db2.gz WEAVBSJIZKXXLZ-VGMNWLOBSA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000884245438 591882263 /nfs/dbraw/zinc/88/22/63/591882263.db2.gz WEAVBSJIZKXXLZ-YIZRAAEISA-N 1 3 215.297 -0.844 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000884245486 591882017 /nfs/dbraw/zinc/88/20/17/591882017.db2.gz WZCGIOKSGOVXQO-CIUDSAMLSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000884245487 591882294 /nfs/dbraw/zinc/88/22/94/591882294.db2.gz WZCGIOKSGOVXQO-HLTSFMKQSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000884245488 591882040 /nfs/dbraw/zinc/88/20/40/591882040.db2.gz WZCGIOKSGOVXQO-VGMNWLOBSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1C[C@H](C)NC[C@H]1C ZINC000884245489 591882415 /nfs/dbraw/zinc/88/24/15/591882415.db2.gz WZCGIOKSGOVXQO-YIZRAAEISA-N 1 3 215.297 -0.831 20 0 BBADHO CCC[C@H]1CNCCN1C(=O)[C@H]([NH3+])CCOC ZINC000884246548 591882341 /nfs/dbraw/zinc/88/23/41/591882341.db2.gz SRKCYDJTDJKCCE-WDEREUQCSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000884247611 591883340 /nfs/dbraw/zinc/88/33/40/591883340.db2.gz ARSNWDNDXOLRJP-MMWGEVLESA-N 1 3 241.335 -0.454 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000884247612 591883387 /nfs/dbraw/zinc/88/33/87/591883387.db2.gz ARSNWDNDXOLRJP-NAKRPEOUSA-N 1 3 241.335 -0.454 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000884247613 591883046 /nfs/dbraw/zinc/88/30/46/591883046.db2.gz ARSNWDNDXOLRJP-VLEAKVRGSA-N 1 3 241.335 -0.454 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000884247614 591883264 /nfs/dbraw/zinc/88/32/64/591883264.db2.gz ARSNWDNDXOLRJP-ZDCRXTMVSA-N 1 3 241.335 -0.454 20 0 BBADHO N[C@H](CC1CC1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884252707 591885322 /nfs/dbraw/zinc/88/53/22/591885322.db2.gz QMDGSKCIYXNWOS-NXEZZACHSA-N 1 3 227.308 -0.700 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884252708 591885739 /nfs/dbraw/zinc/88/57/39/591885739.db2.gz QMDGSKCIYXNWOS-UWVGGRQHSA-N 1 3 227.308 -0.700 20 0 BBADHO N[C@H](CC1CC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884252709 591885447 /nfs/dbraw/zinc/88/54/47/591885447.db2.gz QMDGSKCIYXNWOS-VHSXEESVSA-N 1 3 227.308 -0.700 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884252710 591885228 /nfs/dbraw/zinc/88/52/28/591885228.db2.gz QMDGSKCIYXNWOS-ZJUUUORDSA-N 1 3 227.308 -0.700 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000884254128 591885396 /nfs/dbraw/zinc/88/53/96/591885396.db2.gz FJDVRWAZYDWSRK-CIUDSAMLSA-N 1 3 215.297 -0.926 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000884254129 591885711 /nfs/dbraw/zinc/88/57/11/591885711.db2.gz FJDVRWAZYDWSRK-HLTSFMKQSA-N 1 3 215.297 -0.926 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000884254130 591885369 /nfs/dbraw/zinc/88/53/69/591885369.db2.gz FJDVRWAZYDWSRK-VGMNWLOBSA-N 1 3 215.297 -0.926 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000884254131 591885744 /nfs/dbraw/zinc/88/57/44/591885744.db2.gz FJDVRWAZYDWSRK-YIZRAAEISA-N 1 3 215.297 -0.926 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000884254311 591885174 /nfs/dbraw/zinc/88/51/74/591885174.db2.gz IVVFETOOXVZFSM-GUBZILKMSA-N 1 3 229.324 -0.536 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000884254312 591885179 /nfs/dbraw/zinc/88/51/79/591885179.db2.gz IVVFETOOXVZFSM-KXUCPTDWSA-N 1 3 229.324 -0.536 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000884254313 591884273 /nfs/dbraw/zinc/88/42/73/591884273.db2.gz IVVFETOOXVZFSM-LPEHRKFASA-N 1 3 229.324 -0.536 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000884254314 591884208 /nfs/dbraw/zinc/88/42/08/591884208.db2.gz IVVFETOOXVZFSM-UTLUCORTSA-N 1 3 229.324 -0.536 20 0 BBADHO CO[C@@H](CN)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000884266199 591887887 /nfs/dbraw/zinc/88/78/87/591887887.db2.gz ITBLHRIGOZVCHT-LBPRGKRZSA-N 1 3 249.314 -0.120 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000884267622 591888923 /nfs/dbraw/zinc/88/89/23/591888923.db2.gz JNULMCHHTMKMQX-CIUDSAMLSA-N 1 3 215.297 -0.654 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884267623 591888138 /nfs/dbraw/zinc/88/81/38/591888138.db2.gz JNULMCHHTMKMQX-HLTSFMKQSA-N 1 3 215.297 -0.654 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000884267624 591887982 /nfs/dbraw/zinc/88/79/82/591887982.db2.gz JNULMCHHTMKMQX-VGMNWLOBSA-N 1 3 215.297 -0.654 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000884267625 591888141 /nfs/dbraw/zinc/88/81/41/591888141.db2.gz JNULMCHHTMKMQX-YIZRAAEISA-N 1 3 215.297 -0.654 20 0 BBADHO CC[C@H]1CN(C(=O)[C@H](CN)OC)CC[C@H]1[NH3+] ZINC000884271221 645872966 /nfs/dbraw/zinc/87/29/66/645872966.db2.gz ZUIPDRGFRRROFL-AEJSXWLSSA-N 1 3 229.324 -0.454 20 0 BBADHO CC[C@@H]1CN(C(=O)[C@H](CN)OC)CC[C@H]1[NH3+] ZINC000884271222 645873072 /nfs/dbraw/zinc/87/30/72/645873072.db2.gz ZUIPDRGFRRROFL-BBBLOLIVSA-N 1 3 229.324 -0.454 20 0 BBADHO CC[C@H]1CN(C(=O)[C@H](CN)OC)CC[C@@H]1[NH3+] ZINC000884271223 645873260 /nfs/dbraw/zinc/87/32/60/645873260.db2.gz ZUIPDRGFRRROFL-GUBZILKMSA-N 1 3 229.324 -0.454 20 0 BBADHO CC[C@@H]1CN(C(=O)[C@H](CN)OC)CC[C@@H]1[NH3+] ZINC000884271224 645873396 /nfs/dbraw/zinc/87/33/96/645873396.db2.gz ZUIPDRGFRRROFL-UTLUCORTSA-N 1 3 229.324 -0.454 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000884271778 591890068 /nfs/dbraw/zinc/89/00/68/591890068.db2.gz KKWNJTWFDWWBIN-CIUDSAMLSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1CCN[C@H](C)[C@H]1C ZINC000884271779 591889508 /nfs/dbraw/zinc/88/95/08/591889508.db2.gz KKWNJTWFDWWBIN-HLTSFMKQSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000884271780 591889713 /nfs/dbraw/zinc/88/97/13/591889713.db2.gz KKWNJTWFDWWBIN-VGMNWLOBSA-N 1 3 215.297 -0.831 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000884271781 591890132 /nfs/dbraw/zinc/89/01/32/591890132.db2.gz KKWNJTWFDWWBIN-YIZRAAEISA-N 1 3 215.297 -0.831 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000884272430 591889423 /nfs/dbraw/zinc/88/94/23/591889423.db2.gz WXACGZLIOIZSIW-AEJSXWLSSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C ZINC000884272431 591889877 /nfs/dbraw/zinc/88/98/77/591889877.db2.gz WXACGZLIOIZSIW-BBBLOLIVSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000884272432 591889557 /nfs/dbraw/zinc/88/95/57/591889557.db2.gz WXACGZLIOIZSIW-GUBZILKMSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000884272433 591889963 /nfs/dbraw/zinc/88/99/63/591889963.db2.gz WXACGZLIOIZSIW-UTLUCORTSA-N 1 3 229.324 -0.441 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000884273087 591890175 /nfs/dbraw/zinc/89/01/75/591890175.db2.gz JJOGRVGPRWTWCQ-KXUCPTDWSA-N 1 3 229.324 -0.393 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884276459 591890522 /nfs/dbraw/zinc/89/05/22/591890522.db2.gz QAEQMTXPYUEUSM-AXFHLTTASA-N 1 3 223.320 -0.208 20 0 BBADHO N[C@H](CC1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884276460 591891261 /nfs/dbraw/zinc/89/12/61/591891261.db2.gz QAEQMTXPYUEUSM-OUAUKWLOSA-N 1 3 223.320 -0.208 20 0 BBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](CN)OC ZINC000884282534 591893358 /nfs/dbraw/zinc/89/33/58/591893358.db2.gz KCBJCTWBBBTZLL-CIUDSAMLSA-N 1 3 233.287 -0.882 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000884286611 591893373 /nfs/dbraw/zinc/89/33/73/591893373.db2.gz HZCJIKDJIPOATK-AATLWQCWSA-N 1 3 229.324 -0.537 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000884286612 591893146 /nfs/dbraw/zinc/89/31/46/591893146.db2.gz HZCJIKDJIPOATK-DOLQZWNJSA-N 1 3 229.324 -0.537 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000884286613 591893921 /nfs/dbraw/zinc/89/39/21/591893921.db2.gz HZCJIKDJIPOATK-QCLAVDOMSA-N 1 3 229.324 -0.537 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000884286614 591893636 /nfs/dbraw/zinc/89/36/36/591893636.db2.gz HZCJIKDJIPOATK-XFWSIPNHSA-N 1 3 229.324 -0.537 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000884287080 591895073 /nfs/dbraw/zinc/89/50/73/591895073.db2.gz SHMZKLMWPOWYRS-CHWFTXMASA-N 1 3 243.351 -0.147 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000884287081 591894917 /nfs/dbraw/zinc/89/49/17/591894917.db2.gz SHMZKLMWPOWYRS-VPOLOUISSA-N 1 3 243.351 -0.147 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000884287082 591894927 /nfs/dbraw/zinc/89/49/27/591894927.db2.gz SHMZKLMWPOWYRS-XWLWVQCSSA-N 1 3 243.351 -0.147 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000884287083 591894581 /nfs/dbraw/zinc/89/45/81/591894581.db2.gz SHMZKLMWPOWYRS-ZRUFSTJUSA-N 1 3 243.351 -0.147 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000884293316 591895695 /nfs/dbraw/zinc/89/56/95/591895695.db2.gz ZYVQFZRRNRAWJP-GUBZILKMSA-N 1 3 229.299 -0.070 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000884293317 591895547 /nfs/dbraw/zinc/89/55/47/591895547.db2.gz ZYVQFZRRNRAWJP-LPEHRKFASA-N 1 3 229.299 -0.070 20 0 BBADHO COCC[C@@H](N)C(=O)N(C)C1CC([NH3+])C1 ZINC000884298223 591898268 /nfs/dbraw/zinc/89/82/68/591898268.db2.gz LBYWHRHHFYPGKK-AMDVSUOASA-N 1 3 215.297 -0.702 20 0 BBADHO COCC[C@H](N)C(=O)N(C)C1CC([NH3+])C1 ZINC000884298224 591898081 /nfs/dbraw/zinc/89/80/81/591898081.db2.gz LBYWHRHHFYPGKK-HACHORDNSA-N 1 3 215.297 -0.702 20 0 BBADHO COCC[C@@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000884300189 591899834 /nfs/dbraw/zinc/89/98/34/591899834.db2.gz RCNBVGMYDKWNKN-SECBINFHSA-N 1 3 229.324 -0.310 20 0 BBADHO COCC[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000884300190 591899682 /nfs/dbraw/zinc/89/96/82/591899682.db2.gz RCNBVGMYDKWNKN-VIFPVBQESA-N 1 3 229.324 -0.310 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000884302551 591899392 /nfs/dbraw/zinc/89/93/92/591899392.db2.gz TUZZIQPMGYGPRP-GHMZBOCLSA-N 1 3 241.335 -0.392 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000884302552 591899732 /nfs/dbraw/zinc/89/97/32/591899732.db2.gz TUZZIQPMGYGPRP-MNOVXSKESA-N 1 3 241.335 -0.392 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000884302553 591898772 /nfs/dbraw/zinc/89/87/72/591898772.db2.gz TUZZIQPMGYGPRP-QWRGUYRKSA-N 1 3 241.335 -0.392 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000884302554 591899693 /nfs/dbraw/zinc/89/96/93/591899693.db2.gz TUZZIQPMGYGPRP-WDEREUQCSA-N 1 3 241.335 -0.392 20 0 BBADHO COCC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303339 591899088 /nfs/dbraw/zinc/89/90/88/591899088.db2.gz MLKJQOVPLPIVBN-GARJFASQSA-N 1 3 241.335 -0.439 20 0 BBADHO COCC[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303340 591899155 /nfs/dbraw/zinc/89/91/55/591899155.db2.gz MLKJQOVPLPIVBN-HBNTYKKESA-N 1 3 241.335 -0.439 20 0 BBADHO COCC[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000884304147 591899750 /nfs/dbraw/zinc/89/97/50/591899750.db2.gz HPZLIAAKQSPQFQ-SECBINFHSA-N 1 3 229.324 -0.439 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000884304148 591899240 /nfs/dbraw/zinc/89/92/40/591899240.db2.gz HPZLIAAKQSPQFQ-VIFPVBQESA-N 1 3 229.324 -0.439 20 0 BBADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304230 591899784 /nfs/dbraw/zinc/89/97/84/591899784.db2.gz KLFKWBYAOJKQGK-MXWKQRLJSA-N 1 3 223.320 -0.066 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304231 591899555 /nfs/dbraw/zinc/89/95/55/591899555.db2.gz KLFKWBYAOJKQGK-VWYCJHECSA-N 1 3 223.320 -0.066 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000884304661 591900425 /nfs/dbraw/zinc/90/04/25/591900425.db2.gz XCTQXJUECCPTIG-BDAKNGLRSA-N 1 3 229.324 -0.393 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000884304662 591900348 /nfs/dbraw/zinc/90/03/48/591900348.db2.gz XCTQXJUECCPTIG-DTWKUNHWSA-N 1 3 229.324 -0.393 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000884304663 591899404 /nfs/dbraw/zinc/89/94/04/591899404.db2.gz XCTQXJUECCPTIG-IUCAKERBSA-N 1 3 229.324 -0.393 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000884304664 591899809 /nfs/dbraw/zinc/89/98/09/591899809.db2.gz XCTQXJUECCPTIG-RKDXNWHRSA-N 1 3 229.324 -0.393 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000884314554 591902094 /nfs/dbraw/zinc/90/20/94/591902094.db2.gz NBTWBRDHQFZAAD-AXFHLTTASA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000884314554 591902092 /nfs/dbraw/zinc/90/20/92/591902092.db2.gz NBTWBRDHQFZAAD-AXFHLTTASA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000884314555 591902151 /nfs/dbraw/zinc/90/21/51/591902151.db2.gz NBTWBRDHQFZAAD-DCAQKATOSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000884314555 591902150 /nfs/dbraw/zinc/90/21/50/591902150.db2.gz NBTWBRDHQFZAAD-DCAQKATOSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000884314556 591902211 /nfs/dbraw/zinc/90/22/11/591902211.db2.gz NBTWBRDHQFZAAD-MXWKQRLJSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000884314556 591902209 /nfs/dbraw/zinc/90/22/09/591902209.db2.gz NBTWBRDHQFZAAD-MXWKQRLJSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000884314557 591901323 /nfs/dbraw/zinc/90/13/23/591901323.db2.gz NBTWBRDHQFZAAD-VWYCJHECSA-N 1 3 243.351 -0.241 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000884314557 591901320 /nfs/dbraw/zinc/90/13/20/591901320.db2.gz NBTWBRDHQFZAAD-VWYCJHECSA-N 1 3 243.351 -0.241 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000884336601 591904715 /nfs/dbraw/zinc/90/47/15/591904715.db2.gz TYOLOUZBRPCMGA-GHMZBOCLSA-N 1 3 243.351 -0.016 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000884336602 591904867 /nfs/dbraw/zinc/90/48/67/591904867.db2.gz TYOLOUZBRPCMGA-MNOVXSKESA-N 1 3 243.351 -0.016 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000884336603 591904303 /nfs/dbraw/zinc/90/43/03/591904303.db2.gz TYOLOUZBRPCMGA-QWRGUYRKSA-N 1 3 243.351 -0.016 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000884336604 591905048 /nfs/dbraw/zinc/90/50/48/591905048.db2.gz TYOLOUZBRPCMGA-WDEREUQCSA-N 1 3 243.351 -0.016 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000884338351 591905727 /nfs/dbraw/zinc/90/57/27/591905727.db2.gz FRWFTJDKIIYOCW-BDAKNGLRSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000884338352 591905461 /nfs/dbraw/zinc/90/54/61/591905461.db2.gz FRWFTJDKIIYOCW-DTWKUNHWSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000884338353 591905637 /nfs/dbraw/zinc/90/56/37/591905637.db2.gz FRWFTJDKIIYOCW-IUCAKERBSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000884338354 591905506 /nfs/dbraw/zinc/90/55/06/591905506.db2.gz FRWFTJDKIIYOCW-RKDXNWHRSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000884338797 591905768 /nfs/dbraw/zinc/90/57/68/591905768.db2.gz SJEXKGPPFSQVPN-NXEZZACHSA-N 1 3 229.324 -0.454 20 0 BBADHO COCC[C@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000884338798 591905540 /nfs/dbraw/zinc/90/55/40/591905540.db2.gz SJEXKGPPFSQVPN-UWVGGRQHSA-N 1 3 229.324 -0.454 20 0 BBADHO COCC[C@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000884338799 591905947 /nfs/dbraw/zinc/90/59/47/591905947.db2.gz SJEXKGPPFSQVPN-VHSXEESVSA-N 1 3 229.324 -0.454 20 0 BBADHO COCC[C@@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000884338800 591905787 /nfs/dbraw/zinc/90/57/87/591905787.db2.gz SJEXKGPPFSQVPN-ZJUUUORDSA-N 1 3 229.324 -0.454 20 0 BBADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CNCCO1 ZINC000884339257 591906968 /nfs/dbraw/zinc/90/69/68/591906968.db2.gz IJKXLJWQTSYECV-MNOVXSKESA-N 1 3 243.351 -0.275 20 0 BBADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CNCCO1 ZINC000884339258 591906716 /nfs/dbraw/zinc/90/67/16/591906716.db2.gz IJKXLJWQTSYECV-QWRGUYRKSA-N 1 3 243.351 -0.275 20 0 BBADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000884339853 591906987 /nfs/dbraw/zinc/90/69/87/591906987.db2.gz YPVWMAAGNORTOU-NXEZZACHSA-N 1 3 241.335 -0.663 20 0 BBADHO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000884339854 591906724 /nfs/dbraw/zinc/90/67/24/591906724.db2.gz YPVWMAAGNORTOU-UWVGGRQHSA-N 1 3 241.335 -0.663 20 0 BBADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000884339855 591906367 /nfs/dbraw/zinc/90/63/67/591906367.db2.gz YPVWMAAGNORTOU-VHSXEESVSA-N 1 3 241.335 -0.663 20 0 BBADHO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000884339856 591907078 /nfs/dbraw/zinc/90/70/78/591907078.db2.gz YPVWMAAGNORTOU-ZJUUUORDSA-N 1 3 241.335 -0.663 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000884340623 591906728 /nfs/dbraw/zinc/90/67/28/591906728.db2.gz LOZHJMSELAFKIM-AEJSXWLSSA-N 1 3 229.324 -0.597 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000884340624 591906264 /nfs/dbraw/zinc/90/62/64/591906264.db2.gz LOZHJMSELAFKIM-BBBLOLIVSA-N 1 3 229.324 -0.597 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000884340625 591906844 /nfs/dbraw/zinc/90/68/44/591906844.db2.gz LOZHJMSELAFKIM-GUBZILKMSA-N 1 3 229.324 -0.597 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000884340626 591906567 /nfs/dbraw/zinc/90/65/67/591906567.db2.gz LOZHJMSELAFKIM-UTLUCORTSA-N 1 3 229.324 -0.597 20 0 BBADHO N[C@H](CC1CC1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000884342095 591906830 /nfs/dbraw/zinc/90/68/30/591906830.db2.gz PXLKVZXZCGAFLX-GHMZBOCLSA-N 1 3 241.335 -0.310 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000884342096 591906441 /nfs/dbraw/zinc/90/64/41/591906441.db2.gz PXLKVZXZCGAFLX-MNOVXSKESA-N 1 3 241.335 -0.310 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000884342097 591907103 /nfs/dbraw/zinc/90/71/03/591907103.db2.gz PXLKVZXZCGAFLX-QWRGUYRKSA-N 1 3 241.335 -0.310 20 0 BBADHO N[C@H](CC1CC1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000884342098 591906937 /nfs/dbraw/zinc/90/69/37/591906937.db2.gz PXLKVZXZCGAFLX-WDEREUQCSA-N 1 3 241.335 -0.310 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000884344871 591908546 /nfs/dbraw/zinc/90/85/46/591908546.db2.gz RRCYCMOFBJEJDW-GXSJLCMTSA-N 1 3 227.308 -0.685 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000884344872 591908785 /nfs/dbraw/zinc/90/87/85/591908785.db2.gz RRCYCMOFBJEJDW-ONGXEEELSA-N 1 3 227.308 -0.685 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000884346385 591908808 /nfs/dbraw/zinc/90/88/08/591908808.db2.gz JJOGRVGPRWTWCQ-OPRDCNLKSA-N 1 3 229.324 -0.393 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000884347267 591908971 /nfs/dbraw/zinc/90/89/71/591908971.db2.gz OLTWTCFTPNAPGD-NAKRPEOUSA-N 1 3 243.351 -0.208 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000884347268 591908794 /nfs/dbraw/zinc/90/87/94/591908794.db2.gz OLTWTCFTPNAPGD-RCWTZXSCSA-N 1 3 243.351 -0.208 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000884347269 591908841 /nfs/dbraw/zinc/90/88/41/591908841.db2.gz OLTWTCFTPNAPGD-VLEAKVRGSA-N 1 3 243.351 -0.208 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000884347270 591908443 /nfs/dbraw/zinc/90/84/43/591908443.db2.gz OLTWTCFTPNAPGD-ZNSHCXBVSA-N 1 3 243.351 -0.208 20 0 BBADHO COCCNCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347796 591909103 /nfs/dbraw/zinc/90/91/03/591909103.db2.gz GLTWVEJZOARNHC-BDAKNGLRSA-N 1 3 229.324 -0.536 20 0 BBADHO COCCNCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347797 591908823 /nfs/dbraw/zinc/90/88/23/591908823.db2.gz GLTWVEJZOARNHC-DTWKUNHWSA-N 1 3 229.324 -0.536 20 0 BBADHO COCCNCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347798 591908733 /nfs/dbraw/zinc/90/87/33/591908733.db2.gz GLTWVEJZOARNHC-IUCAKERBSA-N 1 3 229.324 -0.536 20 0 BBADHO COCCNCC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347799 591908431 /nfs/dbraw/zinc/90/84/31/591908431.db2.gz GLTWVEJZOARNHC-RKDXNWHRSA-N 1 3 229.324 -0.536 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000884348039 591909739 /nfs/dbraw/zinc/90/97/39/591909739.db2.gz MLYLUUCHHIOLAM-FYBVGQRMSA-N 1 3 229.299 -0.070 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000884348040 591909652 /nfs/dbraw/zinc/90/96/52/591909652.db2.gz MLYLUUCHHIOLAM-SOCHQFKDSA-N 1 3 229.299 -0.070 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000884348041 591909874 /nfs/dbraw/zinc/90/98/74/591909874.db2.gz MLYLUUCHHIOLAM-VHSKPIJISA-N 1 3 229.299 -0.070 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000884348042 591909936 /nfs/dbraw/zinc/90/99/36/591909936.db2.gz MLYLUUCHHIOLAM-XLDPMVHQSA-N 1 3 229.299 -0.070 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000884348210 591910191 /nfs/dbraw/zinc/91/01/91/591910191.db2.gz QTRLACREFGHYCS-AEJSXWLSSA-N 1 3 241.335 -0.393 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000884348211 591909844 /nfs/dbraw/zinc/90/98/44/591909844.db2.gz QTRLACREFGHYCS-BBBLOLIVSA-N 1 3 241.335 -0.393 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000884348212 591909952 /nfs/dbraw/zinc/90/99/52/591909952.db2.gz QTRLACREFGHYCS-IVZWLZJFSA-N 1 3 241.335 -0.393 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000884348213 591910068 /nfs/dbraw/zinc/91/00/68/591910068.db2.gz QTRLACREFGHYCS-OPRDCNLKSA-N 1 3 241.335 -0.393 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CNC1CC1 ZINC000884358587 591912677 /nfs/dbraw/zinc/91/26/77/591912677.db2.gz SXKIESNQSBYXJI-BDAKNGLRSA-N 1 3 211.309 -0.020 20 0 BBADHO CC1(C)[C@H](NC(=O)CNC2CC2)C[C@@H]1[NH3+] ZINC000884358588 591912870 /nfs/dbraw/zinc/91/28/70/591912870.db2.gz SXKIESNQSBYXJI-DTWKUNHWSA-N 1 3 211.309 -0.020 20 0 BBADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CNC1CC1 ZINC000884358589 591912503 /nfs/dbraw/zinc/91/25/03/591912503.db2.gz SXKIESNQSBYXJI-IUCAKERBSA-N 1 3 211.309 -0.020 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CNC1CC1 ZINC000884358590 591913126 /nfs/dbraw/zinc/91/31/26/591913126.db2.gz SXKIESNQSBYXJI-RKDXNWHRSA-N 1 3 211.309 -0.020 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000884363933 591916542 /nfs/dbraw/zinc/91/65/42/591916542.db2.gz KZALLABNPGQDPD-JQCXWYLXSA-N 1 3 227.308 -0.655 20 0 BBADHO CC1(C)[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)C[C@@H]1[NH3+] ZINC000884363934 591916839 /nfs/dbraw/zinc/91/68/39/591916839.db2.gz KZALLABNPGQDPD-RBXMUDONSA-N 1 3 227.308 -0.655 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000884363935 591916792 /nfs/dbraw/zinc/91/67/92/591916792.db2.gz KZALLABNPGQDPD-UYXSQOIJSA-N 1 3 227.308 -0.655 20 0 BBADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000884363936 591916390 /nfs/dbraw/zinc/91/63/90/591916390.db2.gz KZALLABNPGQDPD-XSPKLOCKSA-N 1 3 227.308 -0.655 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884364887 591916828 /nfs/dbraw/zinc/91/68/28/591916828.db2.gz ZZBNUVYDZDKNKQ-CIUDSAMLSA-N 1 3 228.340 -0.883 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364888 591916674 /nfs/dbraw/zinc/91/66/74/591916674.db2.gz ZZBNUVYDZDKNKQ-DJLDLDEBSA-N 1 3 228.340 -0.883 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884364889 591916821 /nfs/dbraw/zinc/91/68/21/591916821.db2.gz ZZBNUVYDZDKNKQ-XHNCKOQMSA-N 1 3 228.340 -0.883 20 0 BBADHO CN(C)C[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364890 591916712 /nfs/dbraw/zinc/91/67/12/591916712.db2.gz ZZBNUVYDZDKNKQ-YIZRAAEISA-N 1 3 228.340 -0.883 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884365347 591917155 /nfs/dbraw/zinc/91/71/55/591917155.db2.gz HVWBOBADLCLJJV-BIIVOSGPSA-N 1 3 215.297 -0.798 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884365348 591917321 /nfs/dbraw/zinc/91/73/21/591917321.db2.gz HVWBOBADLCLJJV-FXQIFTODSA-N 1 3 215.297 -0.798 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365349 591917680 /nfs/dbraw/zinc/91/76/80/591917680.db2.gz HVWBOBADLCLJJV-RNJXMRFFSA-N 1 3 215.297 -0.798 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365350 591917273 /nfs/dbraw/zinc/91/72/73/591917273.db2.gz HVWBOBADLCLJJV-XLPZGREQSA-N 1 3 215.297 -0.798 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884365547 591917132 /nfs/dbraw/zinc/91/71/32/591917132.db2.gz KRGFOOCDIYHBQK-CIUDSAMLSA-N 1 3 229.324 -0.408 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365548 591917186 /nfs/dbraw/zinc/91/71/86/591917186.db2.gz KRGFOOCDIYHBQK-DJLDLDEBSA-N 1 3 229.324 -0.408 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884365549 591917099 /nfs/dbraw/zinc/91/70/99/591917099.db2.gz KRGFOOCDIYHBQK-XHNCKOQMSA-N 1 3 229.324 -0.408 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365550 591915902 /nfs/dbraw/zinc/91/59/02/591915902.db2.gz KRGFOOCDIYHBQK-YIZRAAEISA-N 1 3 229.324 -0.408 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CN1CCNCC1 ZINC000884366449 591917235 /nfs/dbraw/zinc/91/72/35/591917235.db2.gz ZURNAPSIZWNNHZ-NXEZZACHSA-N 1 3 240.351 -0.866 20 0 BBADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CN1CCNCC1 ZINC000884366450 591917432 /nfs/dbraw/zinc/91/74/32/591917432.db2.gz ZURNAPSIZWNNHZ-UWVGGRQHSA-N 1 3 240.351 -0.866 20 0 BBADHO CC1(C)[C@H](NC(=O)CN2CCNCC2)C[C@@H]1[NH3+] ZINC000884366451 591917662 /nfs/dbraw/zinc/91/76/62/591917662.db2.gz ZURNAPSIZWNNHZ-VHSXEESVSA-N 1 3 240.351 -0.866 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CN1CCNCC1 ZINC000884366452 591917650 /nfs/dbraw/zinc/91/76/50/591917650.db2.gz ZURNAPSIZWNNHZ-ZJUUUORDSA-N 1 3 240.351 -0.866 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369798 645874863 /nfs/dbraw/zinc/87/48/63/645874863.db2.gz PZZJUPJOBWJWAQ-KXUCPTDWSA-N 1 3 229.324 -0.264 20 0 BBADHO COCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369799 645874514 /nfs/dbraw/zinc/87/45/14/645874514.db2.gz PZZJUPJOBWJWAQ-OPRDCNLKSA-N 1 3 229.324 -0.264 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000884372360 645874501 /nfs/dbraw/zinc/87/45/01/645874501.db2.gz LSEYHRJMLUCTLX-CSMHCCOUSA-N 1 3 203.286 -0.798 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000884372361 645874871 /nfs/dbraw/zinc/87/48/71/645874871.db2.gz LSEYHRJMLUCTLX-FXQIFTODSA-N 1 3 203.286 -0.798 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000884372362 645874734 /nfs/dbraw/zinc/87/47/34/645874734.db2.gz LSEYHRJMLUCTLX-PRJMDXOYSA-N 1 3 203.286 -0.798 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000884372363 645874298 /nfs/dbraw/zinc/87/42/98/645874298.db2.gz LSEYHRJMLUCTLX-RNJXMRFFSA-N 1 3 203.286 -0.798 20 0 BBADHO CO[C@@H](CN)C(=O)NCCCCCC[NH3+] ZINC000884375251 591919406 /nfs/dbraw/zinc/91/94/06/591919406.db2.gz RKKTZPWKAMPCLR-VIFPVBQESA-N 1 3 217.313 -0.405 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000884376692 591920137 /nfs/dbraw/zinc/92/01/37/591920137.db2.gz OPRSIBHXIPIIKD-UWVGGRQHSA-N 1 3 241.335 -0.249 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000884376693 591920187 /nfs/dbraw/zinc/92/01/87/591920187.db2.gz OPRSIBHXIPIIKD-VHSXEESVSA-N 1 3 241.335 -0.249 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000884382340 591920438 /nfs/dbraw/zinc/92/04/38/591920438.db2.gz HGGURADCDAMFEL-NHCYSSNCSA-N 1 3 241.335 -0.453 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000884385013 591922072 /nfs/dbraw/zinc/92/20/72/591922072.db2.gz CALIXHIVOPYNHH-AXFHLTTASA-N 1 3 243.351 -0.064 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000884385014 591921954 /nfs/dbraw/zinc/92/19/54/591921954.db2.gz CALIXHIVOPYNHH-DCAQKATOSA-N 1 3 243.351 -0.064 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000884385015 591921762 /nfs/dbraw/zinc/92/17/62/591921762.db2.gz CALIXHIVOPYNHH-MXWKQRLJSA-N 1 3 243.351 -0.064 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000884385016 591922387 /nfs/dbraw/zinc/92/23/87/591922387.db2.gz CALIXHIVOPYNHH-VWYCJHECSA-N 1 3 243.351 -0.064 20 0 BBADHO CO[C@@H](CN)C(=O)NCCC1CC[NH2+]CC1 ZINC000884388661 591921839 /nfs/dbraw/zinc/92/18/39/591921839.db2.gz CLNOFAYJHRXQEK-JTQLQIEISA-N 1 3 229.324 -0.534 20 0 BBADHO CO[C@@H](CN)C(=O)N(C)CC(C)(C)[NH3+] ZINC000884395386 591924631 /nfs/dbraw/zinc/92/46/31/591924631.db2.gz AJJVZGZITDORQL-ZETCQYMHSA-N 1 3 203.286 -0.844 20 0 BBADHO CO[C@@H](CN)C(=O)NCC1([NH3+])CCCC1 ZINC000884403334 591926016 /nfs/dbraw/zinc/92/60/16/591926016.db2.gz BFMLNXKNBHUDJF-QMMMGPOBSA-N 1 3 215.297 -0.652 20 0 BBADHO COCC[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000884403548 591925618 /nfs/dbraw/zinc/92/56/18/591925618.db2.gz IVTKUXCDYADKKX-SECBINFHSA-N 1 3 229.324 -0.262 20 0 BBADHO COCC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000884403549 591925595 /nfs/dbraw/zinc/92/55/95/591925595.db2.gz IVTKUXCDYADKKX-VIFPVBQESA-N 1 3 229.324 -0.262 20 0 BBADHO COCC[C@@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000884412503 591927795 /nfs/dbraw/zinc/92/77/95/591927795.db2.gz RZXNGIVERIDMHP-OUAUKWLOSA-N 1 3 243.351 -0.064 20 0 BBADHO COCC[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000884412504 591927945 /nfs/dbraw/zinc/92/79/45/591927945.db2.gz RZXNGIVERIDMHP-VWYCJHECSA-N 1 3 243.351 -0.064 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000884412669 591928156 /nfs/dbraw/zinc/92/81/56/591928156.db2.gz XRMVDXBCAJYFKS-UTLUCORTSA-N 1 3 229.324 -0.454 20 0 BBADHO N[C@H](CC1CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884415710 591928266 /nfs/dbraw/zinc/92/82/66/591928266.db2.gz DNHINFWXFOWGIF-SQLBVSGCSA-N 1 3 223.320 -0.018 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884415711 591928062 /nfs/dbraw/zinc/92/80/62/591928062.db2.gz DNHINFWXFOWGIF-YZRBJQDESA-N 1 3 223.320 -0.018 20 0 BBADHO COCC[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000884415819 591928325 /nfs/dbraw/zinc/92/83/25/591928325.db2.gz JBCHUSUEDKRHGS-NXEZZACHSA-N 1 3 231.340 -0.160 20 0 BBADHO COCC[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000884415820 591927683 /nfs/dbraw/zinc/92/76/83/591927683.db2.gz JBCHUSUEDKRHGS-ZJUUUORDSA-N 1 3 231.340 -0.160 20 0 BBADHO CO[C@@H](CN)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000884415917 591927775 /nfs/dbraw/zinc/92/77/75/591927775.db2.gz LQJOQGRAVSORJR-BDAKNGLRSA-N 1 3 217.313 -0.550 20 0 BBADHO C[C@@]1(NC(=O)[C@@H](N)CC2CC2)CC[NH2+]C1 ZINC000884423071 591929890 /nfs/dbraw/zinc/92/98/90/591929890.db2.gz NFSMIPAZQDSPTE-GXSJLCMTSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@]1(NC(=O)[C@H](N)CC2CC2)CC[NH2+]C1 ZINC000884423072 591929667 /nfs/dbraw/zinc/92/96/67/591929667.db2.gz NFSMIPAZQDSPTE-KOLCDFICSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@@]1(NC(=O)[C@H](N)CC2CC2)CC[NH2+]C1 ZINC000884423073 591929824 /nfs/dbraw/zinc/92/98/24/591929824.db2.gz NFSMIPAZQDSPTE-MWLCHTKSSA-N 1 3 211.309 -0.018 20 0 BBADHO C[C@]1(NC(=O)[C@@H](N)CC2CC2)CC[NH2+]C1 ZINC000884423074 591929838 /nfs/dbraw/zinc/92/98/38/591929838.db2.gz NFSMIPAZQDSPTE-ONGXEEELSA-N 1 3 211.309 -0.018 20 0 BBADHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000884426122 591930678 /nfs/dbraw/zinc/93/06/78/591930678.db2.gz BAVLSNQEQSXOFY-JBLDHEPKSA-N 1 3 241.335 -0.310 20 0 BBADHO COCC[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000884426123 591930804 /nfs/dbraw/zinc/93/08/04/591930804.db2.gz BAVLSNQEQSXOFY-JFGNBEQYSA-N 1 3 241.335 -0.310 20 0 BBADHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000884426124 591930872 /nfs/dbraw/zinc/93/08/72/591930872.db2.gz BAVLSNQEQSXOFY-NHCYSSNCSA-N 1 3 241.335 -0.310 20 0 BBADHO COCC[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000884426125 591930676 /nfs/dbraw/zinc/93/06/76/591930676.db2.gz BAVLSNQEQSXOFY-SCVCMEIPSA-N 1 3 241.335 -0.310 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000884426451 591930833 /nfs/dbraw/zinc/93/08/33/591930833.db2.gz MOCUSIWFAXWRPN-ATZCPNFKSA-N 1 3 227.308 -0.700 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000884426452 591930896 /nfs/dbraw/zinc/93/08/96/591930896.db2.gz MOCUSIWFAXWRPN-QXEWZRGKSA-N 1 3 227.308 -0.700 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000884426453 591931104 /nfs/dbraw/zinc/93/11/04/591931104.db2.gz MOCUSIWFAXWRPN-WCABBAIRSA-N 1 3 227.308 -0.700 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000884426454 591930530 /nfs/dbraw/zinc/93/05/30/591930530.db2.gz MOCUSIWFAXWRPN-YWVKMMECSA-N 1 3 227.308 -0.700 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1CCNC[C@H]1C(C)C ZINC000884430603 591931738 /nfs/dbraw/zinc/93/17/38/591931738.db2.gz WJZULYKTONZYCJ-UWVGGRQHSA-N 1 3 229.324 -0.584 20 0 BBADHO CO[C@@H](C[NH3+])C(=O)N1CCNC[C@@H]1C(C)C ZINC000884430604 591931475 /nfs/dbraw/zinc/93/14/75/591931475.db2.gz WJZULYKTONZYCJ-ZJUUUORDSA-N 1 3 229.324 -0.584 20 0 BBADHO COCC[C@@H]([NH3+])C(=O)N1CCNC[C@@H]1C(C)C ZINC000884430613 591931995 /nfs/dbraw/zinc/93/19/95/591931995.db2.gz WVOWCPXVZFNLDH-GHMZBOCLSA-N 1 3 243.351 -0.193 20 0 BBADHO COCC[C@@H]([NH3+])C(=O)N1CCNC[C@H]1C(C)C ZINC000884430614 591931663 /nfs/dbraw/zinc/93/16/63/591931663.db2.gz WVOWCPXVZFNLDH-MNOVXSKESA-N 1 3 243.351 -0.193 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCNC[C@H]1C(C)C ZINC000884430615 591932007 /nfs/dbraw/zinc/93/20/07/591932007.db2.gz WVOWCPXVZFNLDH-QWRGUYRKSA-N 1 3 243.351 -0.193 20 0 BBADHO COCC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C(C)C ZINC000884430616 591930671 /nfs/dbraw/zinc/93/06/71/591930671.db2.gz WVOWCPXVZFNLDH-WDEREUQCSA-N 1 3 243.351 -0.193 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000884431592 591931085 /nfs/dbraw/zinc/93/10/85/591931085.db2.gz YJPDNPYIPYNNBE-DTWKUNHWSA-N 1 3 227.308 -0.639 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000884431593 591930618 /nfs/dbraw/zinc/93/06/18/591930618.db2.gz YJPDNPYIPYNNBE-IUCAKERBSA-N 1 3 227.308 -0.639 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000884433369 591933074 /nfs/dbraw/zinc/93/30/74/591933074.db2.gz HNVNMIDSZMDCFW-JTQLQIEISA-N 1 3 241.335 -0.262 20 0 BBADHO N[C@H](CC1CC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000884433370 591933078 /nfs/dbraw/zinc/93/30/78/591933078.db2.gz HNVNMIDSZMDCFW-SNVBAGLBSA-N 1 3 241.335 -0.262 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@@H](N)CC1CC1 ZINC000884434110 591933187 /nfs/dbraw/zinc/93/31/87/591933187.db2.gz ABLONCCCNWTSCV-JTQLQIEISA-N 1 3 229.324 -0.534 20 0 BBADHO C[NH2+]CCOCCNC(=O)[C@H](N)CC1CC1 ZINC000884434111 591933519 /nfs/dbraw/zinc/93/35/19/591933519.db2.gz ABLONCCCNWTSCV-SNVBAGLBSA-N 1 3 229.324 -0.534 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CCOC ZINC000884434284 591933344 /nfs/dbraw/zinc/93/33/44/591933344.db2.gz GVRZWMRPPYBDLY-KXUCPTDWSA-N 1 3 229.324 -0.393 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CCOC ZINC000884434285 591933504 /nfs/dbraw/zinc/93/35/04/591933504.db2.gz GVRZWMRPPYBDLY-LPEHRKFASA-N 1 3 229.324 -0.393 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](CN)OC ZINC000884434592 591933728 /nfs/dbraw/zinc/93/37/28/591933728.db2.gz QPOSCDOOPKVING-YIZRAAEISA-N 1 3 215.297 -0.783 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@H](N)CC1CC1 ZINC000884434962 591933580 /nfs/dbraw/zinc/93/35/80/591933580.db2.gz DRJFNCXUROILKX-LLVKDONJSA-N 1 3 243.351 -0.192 20 0 BBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](N)CC1CC1 ZINC000884434963 591933655 /nfs/dbraw/zinc/93/36/55/591933655.db2.gz DRJFNCXUROILKX-NSHDSACASA-N 1 3 243.351 -0.192 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC1(C[NH3+])CCOCC1 ZINC000884436932 591933974 /nfs/dbraw/zinc/93/39/74/591933974.db2.gz RZQCBOKNFGEYCD-JTQLQIEISA-N 1 3 241.335 -0.262 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC1(C[NH3+])CCOCC1 ZINC000884436933 584953289 /nfs/dbraw/zinc/95/32/89/584953289.db2.gz RZQCBOKNFGEYCD-SNVBAGLBSA-N 1 3 241.335 -0.262 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000884437300 591934245 /nfs/dbraw/zinc/93/42/45/591934245.db2.gz CLNVEFISWCCDGD-AEJSXWLSSA-N 1 3 229.324 -0.393 20 0 BBADHO COCC[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000884437301 591934093 /nfs/dbraw/zinc/93/40/93/591934093.db2.gz CLNVEFISWCCDGD-BBBLOLIVSA-N 1 3 229.324 -0.393 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000884437302 591934518 /nfs/dbraw/zinc/93/45/18/591934518.db2.gz CLNVEFISWCCDGD-GUBZILKMSA-N 1 3 229.324 -0.393 20 0 BBADHO COCC[C@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000884437303 591934589 /nfs/dbraw/zinc/93/45/89/591934589.db2.gz CLNVEFISWCCDGD-UTLUCORTSA-N 1 3 229.324 -0.393 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000884437616 591934630 /nfs/dbraw/zinc/93/46/30/591934630.db2.gz JTLKSXSCNRWSAU-CIUDSAMLSA-N 1 3 215.297 -0.783 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000884437617 591934226 /nfs/dbraw/zinc/93/42/26/591934226.db2.gz JTLKSXSCNRWSAU-HLTSFMKQSA-N 1 3 215.297 -0.783 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000884437618 591934416 /nfs/dbraw/zinc/93/44/16/591934416.db2.gz JTLKSXSCNRWSAU-VGMNWLOBSA-N 1 3 215.297 -0.783 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000884437619 591934238 /nfs/dbraw/zinc/93/42/38/591934238.db2.gz JTLKSXSCNRWSAU-YIZRAAEISA-N 1 3 215.297 -0.783 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NCCOCCC[NH3+] ZINC000884438135 591934106 /nfs/dbraw/zinc/93/41/06/591934106.db2.gz UVQBNLIHQBUIPC-JTQLQIEISA-N 1 3 229.324 -0.405 20 0 BBADHO N[C@H](CC1CC1)C(=O)NCCOCCC[NH3+] ZINC000884438136 591933687 /nfs/dbraw/zinc/93/36/87/591933687.db2.gz UVQBNLIHQBUIPC-SNVBAGLBSA-N 1 3 229.324 -0.405 20 0 BBADHO CN(CCOCC[NH3+])C(=O)[C@@H](N)CC1CC1 ZINC000884439022 591934538 /nfs/dbraw/zinc/93/45/38/591934538.db2.gz QKASUCYYTKQAHN-JTQLQIEISA-N 1 3 229.324 -0.453 20 0 BBADHO CN(CCOCC[NH3+])C(=O)[C@H](N)CC1CC1 ZINC000884439023 591934606 /nfs/dbraw/zinc/93/46/06/591934606.db2.gz QKASUCYYTKQAHN-SNVBAGLBSA-N 1 3 229.324 -0.453 20 0 BBADHO CO[C@@H](CN)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000884442957 591936236 /nfs/dbraw/zinc/93/62/36/591936236.db2.gz VXZGNBWFGHNMOH-ZMLRMANQSA-N 1 3 241.335 -0.582 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884445440 591936787 /nfs/dbraw/zinc/93/67/87/591936787.db2.gz NEIHVIUQAVHYLW-FXBDTBDDSA-N 1 3 211.309 -0.020 20 0 BBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884445441 591936792 /nfs/dbraw/zinc/93/67/92/591936792.db2.gz NEIHVIUQAVHYLW-UJNFCWOMSA-N 1 3 211.309 -0.020 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449763 591938620 /nfs/dbraw/zinc/93/86/20/591938620.db2.gz NLYJMVQUDLWUKQ-UWVGGRQHSA-N 1 3 229.324 -0.310 20 0 BBADHO CO[C@@H](CN)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449764 591938600 /nfs/dbraw/zinc/93/86/00/591938600.db2.gz NLYJMVQUDLWUKQ-ZJUUUORDSA-N 1 3 229.324 -0.310 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884455110 591939767 /nfs/dbraw/zinc/93/97/67/591939767.db2.gz CUASRNBMNUYEAM-UWVGGRQHSA-N 1 3 243.351 -0.146 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884455111 591939532 /nfs/dbraw/zinc/93/95/32/591939532.db2.gz CUASRNBMNUYEAM-ZJUUUORDSA-N 1 3 243.351 -0.146 20 0 BBADHO N[C@@H](CC1CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457444 591940414 /nfs/dbraw/zinc/94/04/14/591940414.db2.gz CCUPZQKIEUEAIN-GUBZILKMSA-N 1 3 209.293 -0.314 20 0 BBADHO N[C@H](CC1CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457445 591940440 /nfs/dbraw/zinc/94/04/40/591940440.db2.gz CCUPZQKIEUEAIN-LPEHRKFASA-N 1 3 209.293 -0.314 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884460106 591941147 /nfs/dbraw/zinc/94/11/47/591941147.db2.gz QRUWHDWADJDGKE-GUBZILKMSA-N 1 3 229.324 -0.406 20 0 BBADHO CO[C@@H](CN)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000884460836 591937330 /nfs/dbraw/zinc/93/73/30/591937330.db2.gz MLDYOASDNQIENG-YUCVTWSNSA-N 1 3 227.308 -0.558 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884463016 591941824 /nfs/dbraw/zinc/94/18/24/591941824.db2.gz VNEVYVWUCLVDJS-UWVGGRQHSA-N 1 3 243.351 -0.146 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884463017 591941737 /nfs/dbraw/zinc/94/17/37/591941737.db2.gz VNEVYVWUCLVDJS-ZJUUUORDSA-N 1 3 243.351 -0.146 20 0 BBADHO CO[C@@H](CN)C(=O)NC1(C[NH3+])CCCCC1 ZINC000884464100 591941859 /nfs/dbraw/zinc/94/18/59/591941859.db2.gz CRSCUAUVOUDPPS-VIFPVBQESA-N 1 3 229.324 -0.262 20 0 BBADHO COCC[C@H](N)C(=O)N1CC[NH2+]CCC1(C)C ZINC000884467761 591943169 /nfs/dbraw/zinc/94/31/69/591943169.db2.gz DSKLMSILOUHYNQ-JTQLQIEISA-N 1 3 243.351 -0.049 20 0 BBADHO COCC[C@@H](N)C(=O)N1CC[NH2+]CCC1(C)C ZINC000884467762 591943383 /nfs/dbraw/zinc/94/33/83/591943383.db2.gz DSKLMSILOUHYNQ-SNVBAGLBSA-N 1 3 243.351 -0.049 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[NH2+]CCC1(C)C ZINC000884467798 591943138 /nfs/dbraw/zinc/94/31/38/591943138.db2.gz GCAXBVHNIVTYNL-VIFPVBQESA-N 1 3 229.324 -0.439 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000884469634 591944023 /nfs/dbraw/zinc/94/40/23/591944023.db2.gz QHHGWHPJGGGZJA-AEJSXWLSSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000884469635 591943780 /nfs/dbraw/zinc/94/37/80/591943780.db2.gz QHHGWHPJGGGZJA-KXUCPTDWSA-N 1 3 211.309 -0.033 20 0 BBADHO CO[C@@H](CN)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884470265 591944278 /nfs/dbraw/zinc/94/42/78/591944278.db2.gz JSANHRXHCVAISM-VLEAKVRGSA-N 1 3 241.335 -0.393 20 0 BBADHO N[C@@H](CC1CC1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000884470507 591943877 /nfs/dbraw/zinc/94/38/77/591943877.db2.gz QHHGWHPJGGGZJA-GUBZILKMSA-N 1 3 211.309 -0.033 20 0 BBADHO N[C@H](CC1CC1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000884470508 591944271 /nfs/dbraw/zinc/94/42/71/591944271.db2.gz QHHGWHPJGGGZJA-OPRDCNLKSA-N 1 3 211.309 -0.033 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884471225 591945334 /nfs/dbraw/zinc/94/53/34/591945334.db2.gz OYSPBWZMTYVPBW-AXFHLTTASA-N 1 3 241.335 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884471225 591945331 /nfs/dbraw/zinc/94/53/31/591945331.db2.gz OYSPBWZMTYVPBW-AXFHLTTASA-N 1 3 241.335 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884471226 591945035 /nfs/dbraw/zinc/94/50/35/591945035.db2.gz OYSPBWZMTYVPBW-DCAQKATOSA-N 1 3 241.335 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884471226 591945032 /nfs/dbraw/zinc/94/50/32/591945032.db2.gz OYSPBWZMTYVPBW-DCAQKATOSA-N 1 3 241.335 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884471227 591944876 /nfs/dbraw/zinc/94/48/76/591944876.db2.gz OYSPBWZMTYVPBW-MXWKQRLJSA-N 1 3 241.335 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884471227 591944874 /nfs/dbraw/zinc/94/48/74/591944874.db2.gz OYSPBWZMTYVPBW-MXWKQRLJSA-N 1 3 241.335 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884471228 591945466 /nfs/dbraw/zinc/94/54/66/591945466.db2.gz OYSPBWZMTYVPBW-VWYCJHECSA-N 1 3 241.335 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884471228 591945465 /nfs/dbraw/zinc/94/54/65/591945465.db2.gz OYSPBWZMTYVPBW-VWYCJHECSA-N 1 3 241.335 -0.487 20 0 BBADHO CO[C@@H](CN)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000884472081 591944704 /nfs/dbraw/zinc/94/47/04/591944704.db2.gz OZQZVCGTPHQANF-SCZZXKLOSA-N 1 3 229.324 -0.536 20 0 BBADHO Cc1cc(NCC[N@@H+](C)CCO)nc(N)n1 ZINC000884823824 592021984 /nfs/dbraw/zinc/02/19/84/592021984.db2.gz GPQIEKNEAOQEHH-UHFFFAOYSA-N 1 3 225.296 -0.297 20 0 BBADHO Cc1cc(NCC[N@H+](C)CCO)nc(N)n1 ZINC000884823824 592021982 /nfs/dbraw/zinc/02/19/82/592021982.db2.gz GPQIEKNEAOQEHH-UHFFFAOYSA-N 1 3 225.296 -0.297 20 0 BBADHO COC(=O)[C@@H]1CC[C@@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000886524309 592245388 /nfs/dbraw/zinc/24/53/88/592245388.db2.gz IIIGMVCZGYGJIR-GMTAPVOTSA-N 1 3 244.335 -0.160 20 0 BBADHO COC(=O)[C@@H]1CC[C@@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000886524310 592246274 /nfs/dbraw/zinc/24/62/74/592246274.db2.gz IIIGMVCZGYGJIR-MXWKQRLJSA-N 1 3 244.335 -0.160 20 0 BBADHO COC(=O)[C@@H]1CC[C@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000886524311 592246456 /nfs/dbraw/zinc/24/64/56/592246456.db2.gz IIIGMVCZGYGJIR-OUAUKWLOSA-N 1 3 244.335 -0.160 20 0 BBADHO COC(=O)[C@@H]1CC[C@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000886524312 592245670 /nfs/dbraw/zinc/24/56/70/592245670.db2.gz IIIGMVCZGYGJIR-VWYCJHECSA-N 1 3 244.335 -0.160 20 0 BBADHO CCN(C[C@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000886846521 592363685 /nfs/dbraw/zinc/36/36/85/592363685.db2.gz CWHZTFWUGBQKCM-GHMZBOCLSA-N 1 3 213.325 -0.341 20 0 BBADHO CCN(C[C@@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000886846522 592363257 /nfs/dbraw/zinc/36/32/57/592363257.db2.gz CWHZTFWUGBQKCM-MNOVXSKESA-N 1 3 213.325 -0.341 20 0 BBADHO CCN(C[C@@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000886846523 592362612 /nfs/dbraw/zinc/36/26/12/592362612.db2.gz CWHZTFWUGBQKCM-QWRGUYRKSA-N 1 3 213.325 -0.341 20 0 BBADHO CCN(C[C@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000886846524 592364081 /nfs/dbraw/zinc/36/40/81/592364081.db2.gz CWHZTFWUGBQKCM-WDEREUQCSA-N 1 3 213.325 -0.341 20 0 BBADHO CC(C)(NCCOCC[NH3+])C(=O)N1CCCC1 ZINC000886858310 592369273 /nfs/dbraw/zinc/36/92/73/592369273.db2.gz VTLHXZDQTATDML-UHFFFAOYSA-N 1 3 243.351 -0.048 20 0 BBADHO CN1CC[C@@](O)(CNC(=[NH2+])NCC(F)F)C1 ZINC000887357941 592489290 /nfs/dbraw/zinc/48/92/90/592489290.db2.gz KXTMKBQDVOMXDW-SECBINFHSA-N 1 3 236.266 -0.568 20 0 BBADHO CN1CC[C@](O)(CNC(=[NH2+])NCC(F)F)C1 ZINC000887357942 592489247 /nfs/dbraw/zinc/48/92/47/592489247.db2.gz KXTMKBQDVOMXDW-VIFPVBQESA-N 1 3 236.266 -0.568 20 0 BBADHO CN1CC[C@@](O)(CNC(=[NH2+])NCC2CC2)C1 ZINC000887358288 592489144 /nfs/dbraw/zinc/48/91/44/592489144.db2.gz ZOOVMZBDVAYZJK-LLVKDONJSA-N 1 3 226.324 -0.423 20 0 BBADHO CN1CC[C@](O)(CNC(=[NH2+])NCC2CC2)C1 ZINC000887358289 592489165 /nfs/dbraw/zinc/48/91/65/592489165.db2.gz ZOOVMZBDVAYZJK-NSHDSACASA-N 1 3 226.324 -0.423 20 0 BBADHO CN1CCC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000891403022 642477569 /nfs/dbraw/zinc/47/75/69/642477569.db2.gz FZKOIQBRKKPSGP-DCAQKATOSA-N 1 3 238.335 -0.164 20 0 BBADHO CN1CCC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000891403023 642476859 /nfs/dbraw/zinc/47/68/59/642476859.db2.gz FZKOIQBRKKPSGP-VWYCJHECSA-N 1 3 238.335 -0.164 20 0 BBADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891438266 582685262 /nfs/dbraw/zinc/68/52/62/582685262.db2.gz QJUQGHXUKSSKLU-AXFHLTTASA-N 1 3 238.335 -0.164 20 0 BBADHO CN(CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000891546120 582696030 /nfs/dbraw/zinc/69/60/30/582696030.db2.gz PXXBXGSNEMNMRM-ONGXEEELSA-N 1 3 238.335 -0.164 20 0 BBADHO [NH3+]CCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891976887 582750829 /nfs/dbraw/zinc/75/08/29/582750829.db2.gz PLLCLVJOJIDIPF-GFCCVEGCSA-N 1 3 248.330 -0.041 20 0 BBADHO [NH3+]CCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891976888 582751050 /nfs/dbraw/zinc/75/10/50/582751050.db2.gz PLLCLVJOJIDIPF-LBPRGKRZSA-N 1 3 248.330 -0.041 20 0 BBADHO [NH3+]CCNC(=O)N1CCNCCC12CCC2 ZINC000891978011 582751501 /nfs/dbraw/zinc/75/15/01/582751501.db2.gz ZLXLTHBECSZMOV-UHFFFAOYSA-N 1 3 226.324 -0.127 20 0 BBADHO COCCNCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892050254 582776412 /nfs/dbraw/zinc/77/64/12/582776412.db2.gz BKRWTLOFTYHSOE-NXEZZACHSA-N 1 3 244.339 -0.647 20 0 BBADHO COCCNCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892050255 582776014 /nfs/dbraw/zinc/77/60/14/582776014.db2.gz BKRWTLOFTYHSOE-UWVGGRQHSA-N 1 3 244.339 -0.647 20 0 BBADHO COCCNCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892050256 582776329 /nfs/dbraw/zinc/77/63/29/582776329.db2.gz BKRWTLOFTYHSOE-VHSXEESVSA-N 1 3 244.339 -0.647 20 0 BBADHO COCCNCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892050257 582775601 /nfs/dbraw/zinc/77/56/01/582775601.db2.gz BKRWTLOFTYHSOE-ZJUUUORDSA-N 1 3 244.339 -0.647 20 0 BBADHO COCCNCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892051928 582775059 /nfs/dbraw/zinc/77/50/59/582775059.db2.gz YKTPMBNZTCWSTN-AOOOYVTPSA-N 1 3 244.339 -0.741 20 0 BBADHO COCCNCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892051929 582774952 /nfs/dbraw/zinc/77/49/52/582774952.db2.gz YKTPMBNZTCWSTN-MGCOHNPYSA-N 1 3 244.339 -0.741 20 0 BBADHO COCCNCCNC(=O)NCCC(C)(C)[NH3+] ZINC000892053788 582777324 /nfs/dbraw/zinc/77/73/24/582777324.db2.gz ACUQVEXWWFVTSM-UHFFFAOYSA-N 1 3 246.355 -0.351 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1CNCCO1 ZINC000892181466 582806195 /nfs/dbraw/zinc/80/61/95/582806195.db2.gz SXFXPWNBVZZHAN-BBBLOLIVSA-N 1 3 242.323 -0.894 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CNCCO1 ZINC000892181467 582806041 /nfs/dbraw/zinc/80/60/41/582806041.db2.gz SXFXPWNBVZZHAN-KXUCPTDWSA-N 1 3 242.323 -0.894 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CNCCO1 ZINC000892181468 582805902 /nfs/dbraw/zinc/80/59/02/582805902.db2.gz SXFXPWNBVZZHAN-OPRDCNLKSA-N 1 3 242.323 -0.894 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CNCCO1 ZINC000892181469 582806125 /nfs/dbraw/zinc/80/61/25/582806125.db2.gz SXFXPWNBVZZHAN-UTLUCORTSA-N 1 3 242.323 -0.894 20 0 BBADHO [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CNCCO1 ZINC000892188689 631765020 /nfs/dbraw/zinc/76/50/20/631765020.db2.gz JLIZUAQTNFOJJQ-NXEZZACHSA-N 1 3 242.323 -0.893 20 0 BBADHO [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CNCCO1 ZINC000892188690 631764943 /nfs/dbraw/zinc/76/49/43/631764943.db2.gz JLIZUAQTNFOJJQ-ZJUUUORDSA-N 1 3 242.323 -0.893 20 0 BBADHO CC(C)([NH3+])CCNC(=O)NC[C@H]1CNCCO1 ZINC000892189224 582806833 /nfs/dbraw/zinc/80/68/33/582806833.db2.gz LPMGWPDZXXUIEU-SECBINFHSA-N 1 3 244.339 -0.599 20 0 BBADHO CC(C)([NH3+])CCNC(=O)NC[C@@H]1CNCCO1 ZINC000892189231 582806850 /nfs/dbraw/zinc/80/68/50/582806850.db2.gz LPMGWPDZXXUIEU-VIFPVBQESA-N 1 3 244.339 -0.599 20 0 BBADHO N[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1F ZINC000892548043 632956566 /nfs/dbraw/zinc/95/65/66/632956566.db2.gz JUFWTSVVPBXFDT-UTINFBMNSA-N 1 3 244.314 -0.196 20 0 BBADHO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCCNCC2)C1 ZINC000892548385 582910254 /nfs/dbraw/zinc/91/02/54/582910254.db2.gz DXCYOHBCVXDXAC-AOOOYVTPSA-N 1 3 226.324 -0.271 20 0 BBADHO CN(C)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892559450 582914416 /nfs/dbraw/zinc/91/44/16/582914416.db2.gz KRFBHTWILISSIA-DTORHVGOSA-N 1 3 214.313 -0.416 20 0 BBADHO [NH3+][C@H]1C[C@H](CNC(=O)N2CCCNCC2)C1 ZINC000892565491 582915242 /nfs/dbraw/zinc/91/52/42/582915242.db2.gz DXCYOHBCVXDXAC-MGCOHNPYSA-N 1 3 226.324 -0.271 20 0 BBADHO N[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[C@H]1F ZINC000892566547 632978431 /nfs/dbraw/zinc/97/84/31/632978431.db2.gz JUFWTSVVPBXFDT-ZYUZMQFOSA-N 1 3 244.314 -0.196 20 0 BBADHO CN(C)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892573519 582918244 /nfs/dbraw/zinc/91/82/44/582918244.db2.gz KRFBHTWILISSIA-KYZUINATSA-N 1 3 214.313 -0.416 20 0 BBADHO CC(=O)OC[C@H](C)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000892670865 582947443 /nfs/dbraw/zinc/94/74/43/582947443.db2.gz YXACGSOXVHUIAW-CMPLNLGQSA-N 1 3 244.335 -0.016 20 0 BBADHO CC(=O)OC[C@H](C)[NH2+]C[C@H](O)CN1CCCC1 ZINC000892670867 582947366 /nfs/dbraw/zinc/94/73/66/582947366.db2.gz YXACGSOXVHUIAW-JQWIXIFHSA-N 1 3 244.335 -0.016 20 0 BBADHO CC(=O)OC[C@@H](C)[NH2+]C[C@H](O)CN1CCCC1 ZINC000892670868 582947255 /nfs/dbraw/zinc/94/72/55/582947255.db2.gz YXACGSOXVHUIAW-PWSUYJOCSA-N 1 3 244.335 -0.016 20 0 BBADHO CC(=O)OC[C@@H](C)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000892670869 582947390 /nfs/dbraw/zinc/94/73/90/582947390.db2.gz YXACGSOXVHUIAW-ZYHUDNBSSA-N 1 3 244.335 -0.016 20 0 BBADHO CN(C)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000892853772 582995401 /nfs/dbraw/zinc/99/54/01/582995401.db2.gz NIOYIYBJNJEIBZ-UHFFFAOYSA-N 1 3 216.329 -0.025 20 0 BBADHO C[NH+](C)C[C@](C)(O)CNc1ccncc1CO ZINC000892956003 583020292 /nfs/dbraw/zinc/02/02/92/583020292.db2.gz RCQVGEYWEUYFII-GFCCVEGCSA-N 1 3 239.319 -0.280 20 0 BBADHO C[NH+](C)C[C@@](C)(O)CNc1ccncc1CO ZINC000892956004 583020429 /nfs/dbraw/zinc/02/04/29/583020429.db2.gz RCQVGEYWEUYFII-LBPRGKRZSA-N 1 3 239.319 -0.280 20 0 BBADHO CC(=O)OC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000893038118 583034876 /nfs/dbraw/zinc/03/48/76/583034876.db2.gz NLDZSVJXXNNPLF-JTQLQIEISA-N 1 3 244.335 -0.016 20 0 BBADHO CC(=O)OC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000893038119 583034790 /nfs/dbraw/zinc/03/47/90/583034790.db2.gz NLDZSVJXXNNPLF-SNVBAGLBSA-N 1 3 244.335 -0.016 20 0 BBADHO OCc1c[nH+]ccc1NCCN1CC[C@@H](O)C1 ZINC000894782656 583521532 /nfs/dbraw/zinc/52/15/32/583521532.db2.gz WPCDTRKYBZYIIN-LLVKDONJSA-N 1 3 237.303 -0.526 20 0 BBADHO OCc1c[nH+]ccc1NCCN1CC[C@H](O)C1 ZINC000894833644 583528161 /nfs/dbraw/zinc/52/81/61/583528161.db2.gz WPCDTRKYBZYIIN-NSHDSACASA-N 1 3 237.303 -0.526 20 0 BBADHO C[NH+]1C[C@@H]2CN(c3nc(N)nc(N)n3)C[C@]2(C)C1 ZINC000896912304 583853598 /nfs/dbraw/zinc/85/35/98/583853598.db2.gz RVJMDFXFCXTXBI-HQJQHLMTSA-N 1 3 249.322 -0.576 20 0 BBADHO C[NH+]1CCC2(CCN2c2nc(N)nc(N)n2)CC1 ZINC000897133568 583883155 /nfs/dbraw/zinc/88/31/55/583883155.db2.gz MILKDZOEILWUSX-UHFFFAOYSA-N 1 3 249.322 -0.290 20 0 BBADHO CN1C[C@@H]2C[N@H+]([C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256221 584186779 /nfs/dbraw/zinc/18/67/79/584186779.db2.gz YEWLUCWJDIETAG-LNLATYFQSA-N 1 3 237.303 -0.715 20 0 BBADHO CN1C[C@@H]2C[N@@H+]([C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256221 584186778 /nfs/dbraw/zinc/18/67/78/584186778.db2.gz YEWLUCWJDIETAG-LNLATYFQSA-N 1 3 237.303 -0.715 20 0 BBADHO CN1C[C@@H]2C[N@H+]([C@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256223 584186559 /nfs/dbraw/zinc/18/65/59/584186559.db2.gz YEWLUCWJDIETAG-PTRXPTGYSA-N 1 3 237.303 -0.715 20 0 BBADHO CN1C[C@@H]2C[N@@H+]([C@H]3CC(=O)NC3=O)C[C@]2(C)C1 ZINC000899256223 584186557 /nfs/dbraw/zinc/18/65/57/584186557.db2.gz YEWLUCWJDIETAG-PTRXPTGYSA-N 1 3 237.303 -0.715 20 0 BBADHO C[C@@H](NC(=[NH2+])NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000899269919 584193546 /nfs/dbraw/zinc/19/35/46/584193546.db2.gz FRDMIAQPEWWNLD-BXKDBHETSA-N 1 3 240.351 -0.035 20 0 BBADHO C[C@H](NC(=[NH2+])NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000899269922 584193512 /nfs/dbraw/zinc/19/35/12/584193512.db2.gz FRDMIAQPEWWNLD-CABZTGNLSA-N 1 3 240.351 -0.035 20 0 BBADHO C[C@H](NC(=[NH2+])NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000899269923 584193799 /nfs/dbraw/zinc/19/37/99/584193799.db2.gz FRDMIAQPEWWNLD-JOYOIKCWSA-N 1 3 240.351 -0.035 20 0 BBADHO C[C@@H](NC(=[NH2+])NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000899269925 584193650 /nfs/dbraw/zinc/19/36/50/584193650.db2.gz FRDMIAQPEWWNLD-SKDRFNHKSA-N 1 3 240.351 -0.035 20 0 BBADHO C(=C1CNC1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC000899328042 584197919 /nfs/dbraw/zinc/19/79/19/584197919.db2.gz MFDMGBRYMGQSGM-UHFFFAOYSA-N 1 3 231.303 -0.127 20 0 BBADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899732041 584234858 /nfs/dbraw/zinc/23/48/58/584234858.db2.gz CWDSEBDMQRTWCF-JTQLQIEISA-N 1 3 229.324 -0.879 20 0 BBADHO CN1CCC[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000899732041 584234855 /nfs/dbraw/zinc/23/48/55/584234855.db2.gz CWDSEBDMQRTWCF-JTQLQIEISA-N 1 3 229.324 -0.879 20 0 BBADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899732042 584235167 /nfs/dbraw/zinc/23/51/67/584235167.db2.gz CWDSEBDMQRTWCF-SNVBAGLBSA-N 1 3 229.324 -0.879 20 0 BBADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000899732042 584235166 /nfs/dbraw/zinc/23/51/66/584235166.db2.gz CWDSEBDMQRTWCF-SNVBAGLBSA-N 1 3 229.324 -0.879 20 0 BBADHO CCN(CC)CC(=O)NCC[N@@H+](C)CCO ZINC000899732071 584229849 /nfs/dbraw/zinc/22/98/49/584229849.db2.gz UKLRXQLFZSERFN-UHFFFAOYSA-N 1 3 231.340 -0.632 20 0 BBADHO CCN(CC)CC(=O)NCC[N@H+](C)CCO ZINC000899732071 584229847 /nfs/dbraw/zinc/22/98/47/584229847.db2.gz UKLRXQLFZSERFN-UHFFFAOYSA-N 1 3 231.340 -0.632 20 0 BBADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)CCO ZINC000899732251 584234356 /nfs/dbraw/zinc/23/43/56/584234356.db2.gz FITCFRYLMCRPCT-UHFFFAOYSA-N 1 3 231.340 -0.633 20 0 BBADHO CC(C)N(C)CC(=O)NCC[N@H+](C)CCO ZINC000899732251 584234355 /nfs/dbraw/zinc/23/43/55/584234355.db2.gz FITCFRYLMCRPCT-UHFFFAOYSA-N 1 3 231.340 -0.633 20 0 BBADHO CN(CCO)CCNC(=O)CCCC[NH+](C)C ZINC000899732290 584234817 /nfs/dbraw/zinc/23/48/17/584234817.db2.gz GQQMSAPJJJLJAM-UHFFFAOYSA-N 1 3 245.367 -0.241 20 0 BBADHO CCCN(C)CC(=O)NCC[N@@H+](C)CCO ZINC000899733259 584235011 /nfs/dbraw/zinc/23/50/11/584235011.db2.gz AACDIXBDTRRMRI-UHFFFAOYSA-N 1 3 231.340 -0.632 20 0 BBADHO CCCN(C)CC(=O)NCC[N@H+](C)CCO ZINC000899733259 584235010 /nfs/dbraw/zinc/23/50/10/584235010.db2.gz AACDIXBDTRRMRI-UHFFFAOYSA-N 1 3 231.340 -0.632 20 0 BBADHO CC[C@@H](C(=O)NCC[N@@H+](C)CCO)N(C)C ZINC000899735099 584231793 /nfs/dbraw/zinc/23/17/93/584231793.db2.gz WWBCTARUOCFVTQ-JTQLQIEISA-N 1 3 231.340 -0.633 20 0 BBADHO CC[C@@H](C(=O)NCC[N@H+](C)CCO)N(C)C ZINC000899735099 584231792 /nfs/dbraw/zinc/23/17/92/584231792.db2.gz WWBCTARUOCFVTQ-JTQLQIEISA-N 1 3 231.340 -0.633 20 0 BBADHO CC[C@H](C(=O)NCC[N@@H+](C)CCO)N(C)C ZINC000899735100 584231776 /nfs/dbraw/zinc/23/17/76/584231776.db2.gz WWBCTARUOCFVTQ-SNVBAGLBSA-N 1 3 231.340 -0.633 20 0 BBADHO CC[C@H](C(=O)NCC[N@H+](C)CCO)N(C)C ZINC000899735100 584231775 /nfs/dbraw/zinc/23/17/75/584231775.db2.gz WWBCTARUOCFVTQ-SNVBAGLBSA-N 1 3 231.340 -0.633 20 0 BBADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCO)CC[N@H+]1C ZINC000899737463 584233068 /nfs/dbraw/zinc/23/30/68/584233068.db2.gz IEZZKOHKOMAGLQ-GHMZBOCLSA-N 1 3 243.351 -0.633 20 0 BBADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCO)CC[N@@H+]1C ZINC000899737463 584233066 /nfs/dbraw/zinc/23/30/66/584233066.db2.gz IEZZKOHKOMAGLQ-GHMZBOCLSA-N 1 3 243.351 -0.633 20 0 BBADHO CN(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000899737705 584233210 /nfs/dbraw/zinc/23/32/10/584233210.db2.gz MZLLQBSXGIMSOR-UHFFFAOYSA-N 1 3 243.351 -0.632 20 0 BBADHO CN(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000899740008 584234211 /nfs/dbraw/zinc/23/42/11/584234211.db2.gz BSIDILYOQPYYKK-LLVKDONJSA-N 1 3 243.351 -0.632 20 0 BBADHO CN(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000899740008 584234210 /nfs/dbraw/zinc/23/42/10/584234210.db2.gz BSIDILYOQPYYKK-LLVKDONJSA-N 1 3 243.351 -0.632 20 0 BBADHO CN(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000899740009 584233621 /nfs/dbraw/zinc/23/36/21/584233621.db2.gz BSIDILYOQPYYKK-NSHDSACASA-N 1 3 243.351 -0.632 20 0 BBADHO CN(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000899740009 584233619 /nfs/dbraw/zinc/23/36/19/584233619.db2.gz BSIDILYOQPYYKK-NSHDSACASA-N 1 3 243.351 -0.632 20 0 BBADHO CN(CC(=O)NCC[N@@H+](C)CCO)C1CCC1 ZINC000899740539 584233524 /nfs/dbraw/zinc/23/35/24/584233524.db2.gz LUONZWAIXMKGSL-UHFFFAOYSA-N 1 3 243.351 -0.489 20 0 BBADHO CN(CC(=O)NCC[N@H+](C)CCO)C1CCC1 ZINC000899740539 584233522 /nfs/dbraw/zinc/23/35/22/584233522.db2.gz LUONZWAIXMKGSL-UHFFFAOYSA-N 1 3 243.351 -0.489 20 0 BBADHO CN(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000899920078 584252594 /nfs/dbraw/zinc/25/25/94/584252594.db2.gz IDUVQYILKPZQNA-UHFFFAOYSA-N 1 3 211.309 -0.240 20 0 BBADHO CN(C)CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000899920932 584252041 /nfs/dbraw/zinc/25/20/41/584252041.db2.gz VKLOHHPJEBYSQL-GFCCVEGCSA-N 1 3 243.351 -0.489 20 0 BBADHO CN(C)CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000899920932 584252040 /nfs/dbraw/zinc/25/20/40/584252040.db2.gz VKLOHHPJEBYSQL-GFCCVEGCSA-N 1 3 243.351 -0.489 20 0 BBADHO CN(C)CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000899920933 584252058 /nfs/dbraw/zinc/25/20/58/584252058.db2.gz VKLOHHPJEBYSQL-LBPRGKRZSA-N 1 3 243.351 -0.489 20 0 BBADHO CN(C)CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000899920933 584252057 /nfs/dbraw/zinc/25/20/57/584252057.db2.gz VKLOHHPJEBYSQL-LBPRGKRZSA-N 1 3 243.351 -0.489 20 0 BBADHO C[C@H](C[C@@H]1COCCN1)NCC1([NH3+])CC1 ZINC000902408096 584574819 /nfs/dbraw/zinc/57/48/19/584574819.db2.gz WRWCFQFPANSLLK-NXEZZACHSA-N 1 3 213.325 -0.166 20 0 BBADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CC1(N)CC1 ZINC000902408096 584574818 /nfs/dbraw/zinc/57/48/18/584574818.db2.gz WRWCFQFPANSLLK-NXEZZACHSA-N 1 3 213.325 -0.166 20 0 BBADHO C[C@@H](C[C@H]1COCCN1)NCC1([NH3+])CC1 ZINC000902408098 584574754 /nfs/dbraw/zinc/57/47/54/584574754.db2.gz WRWCFQFPANSLLK-UWVGGRQHSA-N 1 3 213.325 -0.166 20 0 BBADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CC1(N)CC1 ZINC000902408098 584574753 /nfs/dbraw/zinc/57/47/53/584574753.db2.gz WRWCFQFPANSLLK-UWVGGRQHSA-N 1 3 213.325 -0.166 20 0 BBADHO C[C@@H](C[C@@H]1COCCN1)NCC1([NH3+])CC1 ZINC000902408100 584574455 /nfs/dbraw/zinc/57/44/55/584574455.db2.gz WRWCFQFPANSLLK-VHSXEESVSA-N 1 3 213.325 -0.166 20 0 BBADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1(N)CC1 ZINC000902408100 584574454 /nfs/dbraw/zinc/57/44/54/584574454.db2.gz WRWCFQFPANSLLK-VHSXEESVSA-N 1 3 213.325 -0.166 20 0 BBADHO C[C@H](C[C@H]1COCCN1)NCC1([NH3+])CC1 ZINC000902408101 584574721 /nfs/dbraw/zinc/57/47/21/584574721.db2.gz WRWCFQFPANSLLK-ZJUUUORDSA-N 1 3 213.325 -0.166 20 0 BBADHO C[C@H](C[C@H]1COCCN1)[NH2+]CC1(N)CC1 ZINC000902408101 584574719 /nfs/dbraw/zinc/57/47/19/584574719.db2.gz WRWCFQFPANSLLK-ZJUUUORDSA-N 1 3 213.325 -0.166 20 0 BBADHO CC1(C)C[NH2+]C[C@H]1N[C@@H]1CNCCOC1 ZINC000902442013 584597669 /nfs/dbraw/zinc/59/76/69/584597669.db2.gz GQLIWCNDRSSPRP-NXEZZACHSA-N 1 3 213.325 -0.438 20 0 BBADHO CC1(C)C[NH2+]C[C@@H]1N[C@H]1CNCCOC1 ZINC000902442014 584597707 /nfs/dbraw/zinc/59/77/07/584597707.db2.gz GQLIWCNDRSSPRP-UWVGGRQHSA-N 1 3 213.325 -0.438 20 0 BBADHO CC1(C)C[NH2+]C[C@H]1N[C@H]1CNCCOC1 ZINC000902442015 584597958 /nfs/dbraw/zinc/59/79/58/584597958.db2.gz GQLIWCNDRSSPRP-VHSXEESVSA-N 1 3 213.325 -0.438 20 0 BBADHO CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CNCCOC1 ZINC000902442016 584597923 /nfs/dbraw/zinc/59/79/23/584597923.db2.gz GQLIWCNDRSSPRP-ZJUUUORDSA-N 1 3 213.325 -0.438 20 0 BBADHO C1C[C@@H]2[NH2+][C@H]1C[C@@H]2N[C@H]1CNCCOC1 ZINC000902460252 584610804 /nfs/dbraw/zinc/61/08/04/584610804.db2.gz FXWPXAQDVCSLJA-RCWTZXSCSA-N 1 3 211.309 -0.543 20 0 BBADHO C1C[C@@H]2[NH2+][C@H]1C[C@@H]2N[C@@H]1CNCCOC1 ZINC000902460253 584610859 /nfs/dbraw/zinc/61/08/59/584610859.db2.gz FXWPXAQDVCSLJA-ZNSHCXBVSA-N 1 3 211.309 -0.543 20 0 BBADHO Cn1nnnc1CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000902460875 584611758 /nfs/dbraw/zinc/61/17/58/584611758.db2.gz JWSLGHFZYHQQAC-BDAKNGLRSA-N 1 3 224.312 -0.388 20 0 BBADHO Cn1nnnc1CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000902460876 584611780 /nfs/dbraw/zinc/61/17/80/584611780.db2.gz JWSLGHFZYHQQAC-DTWKUNHWSA-N 1 3 224.312 -0.388 20 0 BBADHO Cn1nnnc1CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000902460877 584611737 /nfs/dbraw/zinc/61/17/37/584611737.db2.gz JWSLGHFZYHQQAC-IUCAKERBSA-N 1 3 224.312 -0.388 20 0 BBADHO Cn1nnnc1CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000902460878 584611825 /nfs/dbraw/zinc/61/18/25/584611825.db2.gz JWSLGHFZYHQQAC-RKDXNWHRSA-N 1 3 224.312 -0.388 20 0 BBADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1nnnn1C ZINC000902461277 584611329 /nfs/dbraw/zinc/61/13/29/584611329.db2.gz NLZSHPJDLCDBNT-BDAKNGLRSA-N 1 3 226.328 -0.142 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1nnnn1C ZINC000902461277 584611327 /nfs/dbraw/zinc/61/13/27/584611327.db2.gz NLZSHPJDLCDBNT-BDAKNGLRSA-N 1 3 226.328 -0.142 20 0 BBADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1nnnn1C ZINC000902461278 584611809 /nfs/dbraw/zinc/61/18/09/584611809.db2.gz NLZSHPJDLCDBNT-DTWKUNHWSA-N 1 3 226.328 -0.142 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NCCCc1nnnn1C ZINC000902461278 584611808 /nfs/dbraw/zinc/61/18/08/584611808.db2.gz NLZSHPJDLCDBNT-DTWKUNHWSA-N 1 3 226.328 -0.142 20 0 BBADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1nnnn1C ZINC000902461279 584611365 /nfs/dbraw/zinc/61/13/65/584611365.db2.gz NLZSHPJDLCDBNT-IUCAKERBSA-N 1 3 226.328 -0.142 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NCCCc1nnnn1C ZINC000902461279 584611364 /nfs/dbraw/zinc/61/13/64/584611364.db2.gz NLZSHPJDLCDBNT-IUCAKERBSA-N 1 3 226.328 -0.142 20 0 BBADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1nnnn1C ZINC000902461280 584611708 /nfs/dbraw/zinc/61/17/08/584611708.db2.gz NLZSHPJDLCDBNT-RKDXNWHRSA-N 1 3 226.328 -0.142 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1nnnn1C ZINC000902461280 584611707 /nfs/dbraw/zinc/61/17/07/584611707.db2.gz NLZSHPJDLCDBNT-RKDXNWHRSA-N 1 3 226.328 -0.142 20 0 BBADHO Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000902461748 584611298 /nfs/dbraw/zinc/61/12/98/584611298.db2.gz RBFIGIDSAUXWCE-NXEZZACHSA-N 1 3 238.339 -0.140 20 0 BBADHO Cn1nnnc1CCC[NH2+][C@H]1CCC[C@H]1CN ZINC000902461749 584611430 /nfs/dbraw/zinc/61/14/30/584611430.db2.gz RBFIGIDSAUXWCE-UWVGGRQHSA-N 1 3 238.339 -0.140 20 0 BBADHO Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000902461750 584611384 /nfs/dbraw/zinc/61/13/84/584611384.db2.gz RBFIGIDSAUXWCE-VHSXEESVSA-N 1 3 238.339 -0.140 20 0 BBADHO Cn1nnnc1CCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000902461751 584611782 /nfs/dbraw/zinc/61/17/82/584611782.db2.gz RBFIGIDSAUXWCE-ZJUUUORDSA-N 1 3 238.339 -0.140 20 0 BBADHO C1C[C@@H]2[NH2+][C@H]1C[C@H]2N[C@@H]1CNCCOC1 ZINC000902464964 584613127 /nfs/dbraw/zinc/61/31/27/584613127.db2.gz FXWPXAQDVCSLJA-CHWFTXMASA-N 1 3 211.309 -0.543 20 0 BBADHO C1C[C@@H]2[NH2+][C@H]1C[C@H]2N[C@H]1CNCCOC1 ZINC000902464967 584612906 /nfs/dbraw/zinc/61/29/06/584612906.db2.gz FXWPXAQDVCSLJA-VPOLOUISSA-N 1 3 211.309 -0.543 20 0 BBADHO CCOC(=O)[C@H]1NCC[C@H]1N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486524 584626032 /nfs/dbraw/zinc/62/60/32/584626032.db2.gz FWNMJRWJFVKDAZ-DBIOUOCHSA-N 1 3 241.335 -0.393 20 0 BBADHO CCOC(=O)[C@@H]1NCC[C@H]1N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486526 584625773 /nfs/dbraw/zinc/62/57/73/584625773.db2.gz FWNMJRWJFVKDAZ-GWOFURMSSA-N 1 3 241.335 -0.393 20 0 BBADHO CCOC(=O)[C@H]1NCC[C@@H]1N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486528 584626269 /nfs/dbraw/zinc/62/62/69/584626269.db2.gz FWNMJRWJFVKDAZ-NAKRPEOUSA-N 1 3 241.335 -0.393 20 0 BBADHO CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486530 584625889 /nfs/dbraw/zinc/62/58/89/584625889.db2.gz FWNMJRWJFVKDAZ-XWLWVQCSSA-N 1 3 241.335 -0.393 20 0 BBADHO COC[C@@H](O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000902513417 584623206 /nfs/dbraw/zinc/62/32/06/584623206.db2.gz GBGWFNXTINWCQB-DCAQKATOSA-N 1 3 216.325 -0.029 20 0 BBADHO COC[C@@H](O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000902513419 584622900 /nfs/dbraw/zinc/62/29/00/584622900.db2.gz GBGWFNXTINWCQB-GARJFASQSA-N 1 3 216.325 -0.029 20 0 BBADHO COC[C@@H](O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000902513420 584623429 /nfs/dbraw/zinc/62/34/29/584623429.db2.gz GBGWFNXTINWCQB-OUAUKWLOSA-N 1 3 216.325 -0.029 20 0 BBADHO COC[C@@H](O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000902513422 584622967 /nfs/dbraw/zinc/62/29/67/584622967.db2.gz GBGWFNXTINWCQB-VWYCJHECSA-N 1 3 216.325 -0.029 20 0 BBADHO COC[C@@H](O)CN[C@H]1CCC[C@H]1C[NH3+] ZINC000902514079 584629532 /nfs/dbraw/zinc/62/95/32/584629532.db2.gz LRQKWQFCZJWINI-GUBZILKMSA-N 1 3 202.298 -0.289 20 0 BBADHO COC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000902514079 584629531 /nfs/dbraw/zinc/62/95/31/584629531.db2.gz LRQKWQFCZJWINI-GUBZILKMSA-N 1 3 202.298 -0.289 20 0 BBADHO COC[C@@H](O)CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000902514080 584629588 /nfs/dbraw/zinc/62/95/88/584629588.db2.gz LRQKWQFCZJWINI-LPEHRKFASA-N 1 3 202.298 -0.289 20 0 BBADHO COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000902514080 584629587 /nfs/dbraw/zinc/62/95/87/584629587.db2.gz LRQKWQFCZJWINI-LPEHRKFASA-N 1 3 202.298 -0.289 20 0 BBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCO ZINC000902953108 584704683 /nfs/dbraw/zinc/70/46/83/584704683.db2.gz OSGJPXSXZCEVJH-NSHDSACASA-N 1 3 245.367 -0.243 20 0 BBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCO ZINC000902953108 584704682 /nfs/dbraw/zinc/70/46/82/584704682.db2.gz OSGJPXSXZCEVJH-NSHDSACASA-N 1 3 245.367 -0.243 20 0 BBADHO CON1CC[C@H](N2CCC(C[NH3+])CC2)C1=O ZINC000903420938 584763819 /nfs/dbraw/zinc/76/38/19/584763819.db2.gz GZQCHDJZQBVLBN-JTQLQIEISA-N 1 3 227.308 -0.181 20 0 BBADHO CON1CC[C@@H](N2CCC(C[NH3+])CC2)C1=O ZINC000903420939 584763501 /nfs/dbraw/zinc/76/35/01/584763501.db2.gz GZQCHDJZQBVLBN-SNVBAGLBSA-N 1 3 227.308 -0.181 20 0 BBADHO NC(=O)[C@@H]1CN(C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903435164 584762399 /nfs/dbraw/zinc/76/23/99/584762399.db2.gz PVQLCIMFSNHAFS-AEJSXWLSSA-N 1 3 227.308 -0.700 20 0 BBADHO NC(=O)[C@H]1CN(C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903435166 584762250 /nfs/dbraw/zinc/76/22/50/584762250.db2.gz PVQLCIMFSNHAFS-IVZWLZJFSA-N 1 3 227.308 -0.700 20 0 BBADHO COC(=O)[C@H]1CNCCCN1C[C@H]1CCC[NH2+]1 ZINC000903453022 584772586 /nfs/dbraw/zinc/77/25/86/584772586.db2.gz WWAZIBXCOABASO-GHMZBOCLSA-N 1 3 241.335 -0.425 20 0 BBADHO COC(=O)[C@@H]1CNCCCN1C[C@H]1CCC[NH2+]1 ZINC000903453023 584772596 /nfs/dbraw/zinc/77/25/96/584772596.db2.gz WWAZIBXCOABASO-MNOVXSKESA-N 1 3 241.335 -0.425 20 0 BBADHO OC[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000903453949 584772569 /nfs/dbraw/zinc/77/25/69/584772569.db2.gz QCLGNMUIIMBVKT-QWRGUYRKSA-N 1 3 226.320 -0.036 20 0 BBADHO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000903453949 584772568 /nfs/dbraw/zinc/77/25/68/584772568.db2.gz QCLGNMUIIMBVKT-QWRGUYRKSA-N 1 3 226.320 -0.036 20 0 BBADHO OC[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000903453950 584772921 /nfs/dbraw/zinc/77/29/21/584772921.db2.gz QCLGNMUIIMBVKT-WDEREUQCSA-N 1 3 226.320 -0.036 20 0 BBADHO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000903453950 584772919 /nfs/dbraw/zinc/77/29/19/584772919.db2.gz QCLGNMUIIMBVKT-WDEREUQCSA-N 1 3 226.320 -0.036 20 0 BBADHO NS(=O)(=O)[C@H]1CCN(C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903454884 584773706 /nfs/dbraw/zinc/77/37/06/584773706.db2.gz MIRXRLUPXTZQQV-AEJSXWLSSA-N 1 3 247.364 -0.523 20 0 BBADHO NS(=O)(=O)[C@@H]1CCN(C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903454885 584773500 /nfs/dbraw/zinc/77/35/00/584773500.db2.gz MIRXRLUPXTZQQV-IVZWLZJFSA-N 1 3 247.364 -0.523 20 0 BBADHO CNC(=O)[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903456278 584774232 /nfs/dbraw/zinc/77/42/32/584774232.db2.gz FJAVUCMKKJBTDE-OUAUKWLOSA-N 1 3 241.335 -0.439 20 0 BBADHO CNC(=O)[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903456279 584774376 /nfs/dbraw/zinc/77/43/76/584774376.db2.gz FJAVUCMKKJBTDE-VWYCJHECSA-N 1 3 241.335 -0.439 20 0 BBADHO COC[C@@H](C[N@@H+](CCN)C[C@H](O)CO)C(C)C ZINC000903463565 637363960 /nfs/dbraw/zinc/36/39/60/637363960.db2.gz DZCKHYVKEFFSCI-NEPJUHHUSA-N 1 3 248.367 -0.481 20 0 BBADHO COC[C@@H](C[N@H+](CCN)C[C@H](O)CO)C(C)C ZINC000903463565 637363951 /nfs/dbraw/zinc/36/39/51/637363951.db2.gz DZCKHYVKEFFSCI-NEPJUHHUSA-N 1 3 248.367 -0.481 20 0 BBADHO COC[C@H](C[N@@H+](CCN)C[C@@H](O)CO)C(C)C ZINC000903463566 637364634 /nfs/dbraw/zinc/36/46/34/637364634.db2.gz DZCKHYVKEFFSCI-NWDGAFQWSA-N 1 3 248.367 -0.481 20 0 BBADHO COC[C@H](C[N@H+](CCN)C[C@@H](O)CO)C(C)C ZINC000903463566 637364631 /nfs/dbraw/zinc/36/46/31/637364631.db2.gz DZCKHYVKEFFSCI-NWDGAFQWSA-N 1 3 248.367 -0.481 20 0 BBADHO COC[C@H](C[N@@H+](CCN)C[C@H](O)CO)C(C)C ZINC000903463567 637365254 /nfs/dbraw/zinc/36/52/54/637365254.db2.gz DZCKHYVKEFFSCI-RYUDHWBXSA-N 1 3 248.367 -0.481 20 0 BBADHO COC[C@H](C[N@H+](CCN)C[C@H](O)CO)C(C)C ZINC000903463567 637365248 /nfs/dbraw/zinc/36/52/48/637365248.db2.gz DZCKHYVKEFFSCI-RYUDHWBXSA-N 1 3 248.367 -0.481 20 0 BBADHO COC[C@@H](C[N@@H+](CCN)C[C@@H](O)CO)C(C)C ZINC000903463568 637363855 /nfs/dbraw/zinc/36/38/55/637363855.db2.gz DZCKHYVKEFFSCI-VXGBXAGGSA-N 1 3 248.367 -0.481 20 0 BBADHO COC[C@@H](C[N@H+](CCN)C[C@@H](O)CO)C(C)C ZINC000903463568 637363851 /nfs/dbraw/zinc/36/38/51/637363851.db2.gz DZCKHYVKEFFSCI-VXGBXAGGSA-N 1 3 248.367 -0.481 20 0 BBADHO CC[C@@H]1C[C@H]1C[N@@H+](CCN)C[C@@H](O)CO ZINC000903463902 637365392 /nfs/dbraw/zinc/36/53/92/637365392.db2.gz RLWRWAFLKSEIKD-OUAUKWLOSA-N 1 3 216.325 -0.354 20 0 BBADHO CC[C@@H]1C[C@H]1C[N@H+](CCN)C[C@@H](O)CO ZINC000903463902 637365390 /nfs/dbraw/zinc/36/53/90/637365390.db2.gz RLWRWAFLKSEIKD-OUAUKWLOSA-N 1 3 216.325 -0.354 20 0 BBADHO CC[C@@H]1C[C@H]1C[N@@H+](CCN)C[C@H](O)CO ZINC000903463903 637364479 /nfs/dbraw/zinc/36/44/79/637364479.db2.gz RLWRWAFLKSEIKD-VWYCJHECSA-N 1 3 216.325 -0.354 20 0 BBADHO CC[C@@H]1C[C@H]1C[N@H+](CCN)C[C@H](O)CO ZINC000903463903 637364476 /nfs/dbraw/zinc/36/44/76/637364476.db2.gz RLWRWAFLKSEIKD-VWYCJHECSA-N 1 3 216.325 -0.354 20 0 BBADHO C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CNCCO1 ZINC000903471819 584775236 /nfs/dbraw/zinc/77/52/36/584775236.db2.gz NFEQHADWVDOJRK-GHMZBOCLSA-N 1 3 225.336 -0.151 20 0 BBADHO C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CNCCO1 ZINC000903471820 584775632 /nfs/dbraw/zinc/77/56/32/584775632.db2.gz NFEQHADWVDOJRK-MNOVXSKESA-N 1 3 225.336 -0.151 20 0 BBADHO C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CNCCO1 ZINC000903471821 584775503 /nfs/dbraw/zinc/77/55/03/584775503.db2.gz NFEQHADWVDOJRK-QWRGUYRKSA-N 1 3 225.336 -0.151 20 0 BBADHO C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CNCCO1 ZINC000903471822 584775709 /nfs/dbraw/zinc/77/57/09/584775709.db2.gz NFEQHADWVDOJRK-WDEREUQCSA-N 1 3 225.336 -0.151 20 0 BBADHO NC(=O)C[C@H]1CN(C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903474554 584777016 /nfs/dbraw/zinc/77/70/16/584777016.db2.gz OPIAYWZQNXTBPH-AXFHLTTASA-N 1 3 241.335 -0.310 20 0 BBADHO NC(=O)C[C@@H]1CN(C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903474555 584776904 /nfs/dbraw/zinc/77/69/04/584776904.db2.gz OPIAYWZQNXTBPH-HBNTYKKESA-N 1 3 241.335 -0.310 20 0 BBADHO COC[C@@H](C(N)=O)N(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482925 584778807 /nfs/dbraw/zinc/77/88/07/584778807.db2.gz YSCMSMIZFZLWLI-UTLUCORTSA-N 1 3 229.324 -0.454 20 0 BBADHO OC[C@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000903490994 584781107 /nfs/dbraw/zinc/78/11/07/584781107.db2.gz QCLGNMUIIMBVKT-GHMZBOCLSA-N 1 3 226.320 -0.036 20 0 BBADHO OC[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000903490994 584781106 /nfs/dbraw/zinc/78/11/06/584781106.db2.gz QCLGNMUIIMBVKT-GHMZBOCLSA-N 1 3 226.320 -0.036 20 0 BBADHO OC[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000903490995 584780992 /nfs/dbraw/zinc/78/09/92/584780992.db2.gz QCLGNMUIIMBVKT-MNOVXSKESA-N 1 3 226.320 -0.036 20 0 BBADHO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000903490995 584780991 /nfs/dbraw/zinc/78/09/91/584780991.db2.gz QCLGNMUIIMBVKT-MNOVXSKESA-N 1 3 226.320 -0.036 20 0 BBADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000903496895 584781054 /nfs/dbraw/zinc/78/10/54/584781054.db2.gz IZMVWKSJEIMPJR-NXEZZACHSA-N 1 3 249.380 -0.548 20 0 BBADHO [NH3+]C1(CNS(=O)(=O)[C@@H]2CCCNC2)CC1 ZINC000903523894 584781330 /nfs/dbraw/zinc/78/13/30/584781330.db2.gz VSRWDUHWSHNRIW-MRVPVSSYSA-N 1 3 233.337 -0.851 20 0 BBADHO [NH3+]C1(CNS(=O)(=O)[C@H]2CCCNC2)CC1 ZINC000903523895 584781480 /nfs/dbraw/zinc/78/14/80/584781480.db2.gz VSRWDUHWSHNRIW-QMMMGPOBSA-N 1 3 233.337 -0.851 20 0 BBADHO CN(C)CCCS(=O)(=O)NCC1([NH3+])CC1 ZINC000903524707 584781358 /nfs/dbraw/zinc/78/13/58/584781358.db2.gz WHHLKGGJGQNEIP-UHFFFAOYSA-N 1 3 235.353 -0.651 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)CCCN(C)C ZINC000903529351 637368612 /nfs/dbraw/zinc/36/86/12/637368612.db2.gz YCBODRLVHJSTLE-NXEZZACHSA-N 1 3 249.380 -0.535 20 0 BBADHO CC1(C)CN(C[C@H]2CNCCO2)C[C@H]1[NH3+] ZINC000903560170 584782043 /nfs/dbraw/zinc/78/20/43/584782043.db2.gz WBBNKAILCUWVNB-NXEZZACHSA-N 1 3 213.325 -0.356 20 0 BBADHO CC1(C)CN(C[C@@H]2CNCCO2)C[C@@H]1[NH3+] ZINC000903560171 584782456 /nfs/dbraw/zinc/78/24/56/584782456.db2.gz WBBNKAILCUWVNB-UWVGGRQHSA-N 1 3 213.325 -0.356 20 0 BBADHO CC1(C)CN(C[C@@H]2CNCCO2)C[C@H]1[NH3+] ZINC000903560172 584782579 /nfs/dbraw/zinc/78/25/79/584782579.db2.gz WBBNKAILCUWVNB-VHSXEESVSA-N 1 3 213.325 -0.356 20 0 BBADHO CC1(C)CN(C[C@H]2CNCCO2)C[C@@H]1[NH3+] ZINC000903560173 584782294 /nfs/dbraw/zinc/78/22/94/584782294.db2.gz WBBNKAILCUWVNB-ZJUUUORDSA-N 1 3 213.325 -0.356 20 0 BBADHO O=S(=O)(NC[C@H]1CCCCC[NH2+]1)C1CNC1 ZINC000903566821 637370677 /nfs/dbraw/zinc/37/06/77/637370677.db2.gz HQHSENFKLKYJSC-SECBINFHSA-N 1 3 247.364 -0.590 20 0 BBADHO O=S(=O)(NC[C@@H]1CCCCC[NH2+]1)C1CNC1 ZINC000903566822 637371207 /nfs/dbraw/zinc/37/12/07/637371207.db2.gz HQHSENFKLKYJSC-VIFPVBQESA-N 1 3 247.364 -0.590 20 0 BBADHO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)[C@H]2CCCNC2)C1 ZINC000903568517 584783552 /nfs/dbraw/zinc/78/35/52/584783552.db2.gz YRHAXOLEVLXHTP-GUBZILKMSA-N 1 3 247.364 -0.605 20 0 BBADHO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)[C@@H]2CCCNC2)C1 ZINC000903568518 584783558 /nfs/dbraw/zinc/78/35/58/584783558.db2.gz YRHAXOLEVLXHTP-OPRDCNLKSA-N 1 3 247.364 -0.605 20 0 BBADHO CN(C)CCCS(=O)(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000903569818 584783472 /nfs/dbraw/zinc/78/34/72/584783472.db2.gz QRNYZCJZBKIZRH-MGCOHNPYSA-N 1 3 249.380 -0.405 20 0 BBADHO C[NH2+]CCN(C[C@H]1CNCCO1)C(C)C ZINC000903573966 584783938 /nfs/dbraw/zinc/78/39/38/584783938.db2.gz OLYSCPNTFVLXJU-LLVKDONJSA-N 1 3 215.341 -0.095 20 0 BBADHO C[NH2+]CCN(C[C@@H]1CNCCO1)C(C)C ZINC000903573967 584783853 /nfs/dbraw/zinc/78/38/53/584783853.db2.gz OLYSCPNTFVLXJU-NSHDSACASA-N 1 3 215.341 -0.095 20 0 BBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)C1CNC1)C2 ZINC000903580269 637374704 /nfs/dbraw/zinc/37/47/04/637374704.db2.gz VUAKPPOWCMHBDS-CIUDSAMLSA-N 1 3 245.348 -0.900 20 0 BBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)C1CNC1)C2 ZINC000903580270 637375041 /nfs/dbraw/zinc/37/50/41/637375041.db2.gz VUAKPPOWCMHBDS-YIZRAAEISA-N 1 3 245.348 -0.900 20 0 BBADHO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)C1CNC1 ZINC000903583163 584783616 /nfs/dbraw/zinc/78/36/16/584783616.db2.gz CCQUBWIQZSOWDB-PSASIEDQSA-N 1 3 245.348 -0.899 20 0 BBADHO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)C1CNC1 ZINC000903583164 584783699 /nfs/dbraw/zinc/78/36/99/584783699.db2.gz CCQUBWIQZSOWDB-SCZZXKLOSA-N 1 3 245.348 -0.899 20 0 BBADHO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)C1CNC1 ZINC000903583165 584783688 /nfs/dbraw/zinc/78/36/88/584783688.db2.gz CCQUBWIQZSOWDB-WCBMZHEXSA-N 1 3 245.348 -0.899 20 0 BBADHO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)C1CNC1 ZINC000903583166 584783470 /nfs/dbraw/zinc/78/34/70/584783470.db2.gz CCQUBWIQZSOWDB-WPRPVWTQSA-N 1 3 245.348 -0.899 20 0 BBADHO O=S(=O)(C1CNC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903591292 584784877 /nfs/dbraw/zinc/78/48/77/584784877.db2.gz CRTYJCXFIRPPBH-JTQLQIEISA-N 1 3 245.348 -0.884 20 0 BBADHO O=S(=O)(C1CNC1)N1CCC[C@]12CC[NH2+]C2 ZINC000903591293 584785168 /nfs/dbraw/zinc/78/51/68/584785168.db2.gz CRTYJCXFIRPPBH-SNVBAGLBSA-N 1 3 245.348 -0.884 20 0 BBADHO O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)C1CNC1 ZINC000903609995 584784823 /nfs/dbraw/zinc/78/48/23/584784823.db2.gz VCTTYJWWAPHCBN-WPRPVWTQSA-N 1 3 245.348 -0.980 20 0 BBADHO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)C[C@H](O)CN ZINC000903752050 584795724 /nfs/dbraw/zinc/79/57/24/584795724.db2.gz PTFNWOGHAYVSLY-IVZWLZJFSA-N 1 3 230.308 -0.563 20 0 BBADHO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C[C@H](O)CN ZINC000903752050 584795723 /nfs/dbraw/zinc/79/57/23/584795723.db2.gz PTFNWOGHAYVSLY-IVZWLZJFSA-N 1 3 230.308 -0.563 20 0 BBADHO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H](O)CN ZINC000903752051 584795758 /nfs/dbraw/zinc/79/57/58/584795758.db2.gz PTFNWOGHAYVSLY-LPEHRKFASA-N 1 3 230.308 -0.563 20 0 BBADHO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C[C@@H](O)CN ZINC000903752051 584795757 /nfs/dbraw/zinc/79/57/57/584795757.db2.gz PTFNWOGHAYVSLY-LPEHRKFASA-N 1 3 230.308 -0.563 20 0 BBADHO N[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[C@H]1F ZINC000903764770 584797066 /nfs/dbraw/zinc/79/70/66/584797066.db2.gz AVBDTIXNZQYYHZ-IJLUTSLNSA-N 1 3 245.342 -0.186 20 0 BBADHO N[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[C@H]1F ZINC000903764771 584797387 /nfs/dbraw/zinc/79/73/87/584797387.db2.gz AVBDTIXNZQYYHZ-QJPTWQEYSA-N 1 3 245.342 -0.186 20 0 BBADHO [NH3+]CC12CC(C1)CN2C[C@@H](O)CN1CCCC1 ZINC000903766136 584797621 /nfs/dbraw/zinc/79/76/21/584797621.db2.gz PLDUFBVNVPHUMO-CPCZMJQVSA-N 1 3 239.363 -0.134 20 0 BBADHO [NH3+]CC12CC(C1)CN2C[C@H](O)CN1CCCC1 ZINC000903766139 584797650 /nfs/dbraw/zinc/79/76/50/584797650.db2.gz PLDUFBVNVPHUMO-OTTFEQOBSA-N 1 3 239.363 -0.134 20 0 BBADHO CN(C[C@H]1CNCCO1)C1(C[NH3+])CCOCC1 ZINC000903809543 584803289 /nfs/dbraw/zinc/80/32/89/584803289.db2.gz CZEFOVMXUMEPQK-LLVKDONJSA-N 1 3 243.351 -0.586 20 0 BBADHO CN(C[C@@H]1CNCCO1)C1(C[NH3+])CCOCC1 ZINC000903809544 584803542 /nfs/dbraw/zinc/80/35/42/584803542.db2.gz CZEFOVMXUMEPQK-NSHDSACASA-N 1 3 243.351 -0.586 20 0 BBADHO NCCC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903826361 584805081 /nfs/dbraw/zinc/80/50/81/584805081.db2.gz JLLBHMKHPAWKDY-ONGXEEELSA-N 1 3 211.309 -0.077 20 0 BBADHO NCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903826361 584805080 /nfs/dbraw/zinc/80/50/80/584805080.db2.gz JLLBHMKHPAWKDY-ONGXEEELSA-N 1 3 211.309 -0.077 20 0 BBADHO C[C@@H]1CN(CCC[NH3+])C[C@H]1CS(N)(=O)=O ZINC000903826912 584805124 /nfs/dbraw/zinc/80/51/24/584805124.db2.gz NPUVZNDNGOBSGP-BDAKNGLRSA-N 1 3 235.353 -0.808 20 0 BBADHO CC[N@@H+](CCC(=O)NC)C[C@](C)(O)CNC ZINC000903827206 584805008 /nfs/dbraw/zinc/80/50/08/584805008.db2.gz QMPWWWAZYSEVNM-LLVKDONJSA-N 1 3 231.340 -0.585 20 0 BBADHO CC[N@H+](CCC(=O)NC)C[C@](C)(O)CNC ZINC000903827206 584805007 /nfs/dbraw/zinc/80/50/07/584805007.db2.gz QMPWWWAZYSEVNM-LLVKDONJSA-N 1 3 231.340 -0.585 20 0 BBADHO CC[N@@H+](CCC(=O)NC)C[C@@](C)(O)CNC ZINC000903827207 584804807 /nfs/dbraw/zinc/80/48/07/584804807.db2.gz QMPWWWAZYSEVNM-NSHDSACASA-N 1 3 231.340 -0.585 20 0 BBADHO CC[N@H+](CCC(=O)NC)C[C@@](C)(O)CNC ZINC000903827207 584804805 /nfs/dbraw/zinc/80/48/05/584804805.db2.gz QMPWWWAZYSEVNM-NSHDSACASA-N 1 3 231.340 -0.585 20 0 BBADHO CCN(CCC(=O)NC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903827425 584804985 /nfs/dbraw/zinc/80/49/85/584804985.db2.gz SGUBXYBLWSYTKS-GUBZILKMSA-N 1 3 229.324 -0.705 20 0 BBADHO CO[C@@H]1CC[C@@H]1N(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830120 584805579 /nfs/dbraw/zinc/80/55/79/584805579.db2.gz SZVAWGNQOPAVCS-AJBSGBCOSA-N 1 3 214.309 -0.054 20 0 BBADHO CO[C@@H]1CC[C@H]1N(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830121 584805545 /nfs/dbraw/zinc/80/55/45/584805545.db2.gz SZVAWGNQOPAVCS-HPENLJRUSA-N 1 3 214.309 -0.054 20 0 BBADHO CO[C@H]1CC[C@@H]1N(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830122 584805812 /nfs/dbraw/zinc/80/58/12/584805812.db2.gz SZVAWGNQOPAVCS-QHZLYTNSSA-N 1 3 214.309 -0.054 20 0 BBADHO CO[C@H]1CC[C@H]1N(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830123 584805784 /nfs/dbraw/zinc/80/57/84/584805784.db2.gz SZVAWGNQOPAVCS-SSRBZLIGSA-N 1 3 214.309 -0.054 20 0 BBADHO COCC[C@@H]1C[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000903837740 584806776 /nfs/dbraw/zinc/80/67/76/584806776.db2.gz PHOLQVSVEKEKSA-NEPJUHHUSA-N 1 3 243.351 -0.715 20 0 BBADHO COCC[C@H]1C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000903837741 584806544 /nfs/dbraw/zinc/80/65/44/584806544.db2.gz PHOLQVSVEKEKSA-NWDGAFQWSA-N 1 3 243.351 -0.715 20 0 BBADHO COCC[C@H]1C[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000903837742 584806834 /nfs/dbraw/zinc/80/68/34/584806834.db2.gz PHOLQVSVEKEKSA-RYUDHWBXSA-N 1 3 243.351 -0.715 20 0 BBADHO COCC[C@@H]1C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000903837743 584806517 /nfs/dbraw/zinc/80/65/17/584806517.db2.gz PHOLQVSVEKEKSA-VXGBXAGGSA-N 1 3 243.351 -0.715 20 0 BBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CNCCO1)C2 ZINC000903842695 584804599 /nfs/dbraw/zinc/80/45/99/584804599.db2.gz SEQGYRKPLIJMSC-BJDJZHNGSA-N 1 3 225.336 -0.214 20 0 BBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CNCCO1)C2 ZINC000903842696 584804431 /nfs/dbraw/zinc/80/44/31/584804431.db2.gz SEQGYRKPLIJMSC-FIQHERPVSA-N 1 3 225.336 -0.214 20 0 BBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CNCCO1)C2 ZINC000903842697 584804383 /nfs/dbraw/zinc/80/43/83/584804383.db2.gz SEQGYRKPLIJMSC-USZNOCQGSA-N 1 3 225.336 -0.214 20 0 BBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CNCCO1)C2 ZINC000903842698 584804555 /nfs/dbraw/zinc/80/45/55/584804555.db2.gz SEQGYRKPLIJMSC-WHOHXGKFSA-N 1 3 225.336 -0.214 20 0 BBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C[C@@H]1CNCCO1 ZINC000903860048 584812626 /nfs/dbraw/zinc/81/26/26/584812626.db2.gz QESKYDOCMQDHLW-GRYCIOLGSA-N 1 3 225.336 -0.212 20 0 BBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C[C@H]1CNCCO1 ZINC000903860049 584812322 /nfs/dbraw/zinc/81/23/22/584812322.db2.gz QESKYDOCMQDHLW-IJLUTSLNSA-N 1 3 225.336 -0.212 20 0 BBADHO [NH3+]C[C@]12CC[C@H]1CCN2C[C@H]1CNCCO1 ZINC000903860050 584811611 /nfs/dbraw/zinc/81/16/11/584811611.db2.gz QESKYDOCMQDHLW-QJPTWQEYSA-N 1 3 225.336 -0.212 20 0 BBADHO [NH3+]C[C@]12CC[C@H]1CCN2C[C@@H]1CNCCO1 ZINC000903860051 584812269 /nfs/dbraw/zinc/81/22/69/584812269.db2.gz QESKYDOCMQDHLW-SDDRHHMPSA-N 1 3 225.336 -0.212 20 0 BBADHO C([C@H]1CNCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903871413 584815412 /nfs/dbraw/zinc/81/54/12/584815412.db2.gz UFYFAKGBAXCFAQ-NEPJUHHUSA-N 1 3 225.336 -0.197 20 0 BBADHO C([C@@H]1CNCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC000903871414 584815261 /nfs/dbraw/zinc/81/52/61/584815261.db2.gz UFYFAKGBAXCFAQ-NWDGAFQWSA-N 1 3 225.336 -0.197 20 0 BBADHO C([C@@H]1CNCCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903871415 584815582 /nfs/dbraw/zinc/81/55/82/584815582.db2.gz UFYFAKGBAXCFAQ-RYUDHWBXSA-N 1 3 225.336 -0.197 20 0 BBADHO C([C@H]1CNCCO1)N1CCC[C@]12CC[NH2+]C2 ZINC000903871416 584815544 /nfs/dbraw/zinc/81/55/44/584815544.db2.gz UFYFAKGBAXCFAQ-VXGBXAGGSA-N 1 3 225.336 -0.197 20 0 BBADHO Cc1c(C[C@H](C[NH3+])CN(C)CCO)cnn1C ZINC000903872501 584815505 /nfs/dbraw/zinc/81/55/05/584815505.db2.gz FWVGLMWSVRYDBH-LLVKDONJSA-N 1 3 240.351 -0.230 20 0 BBADHO Cc1c(C[C@@H](C[NH3+])CN(C)CCO)cnn1C ZINC000903872504 584815511 /nfs/dbraw/zinc/81/55/11/584815511.db2.gz FWVGLMWSVRYDBH-NSHDSACASA-N 1 3 240.351 -0.230 20 0 BBADHO [NH3+][C@H](CC(F)F)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000903931401 584824871 /nfs/dbraw/zinc/82/48/71/584824871.db2.gz CPNWLWIZWGUQLT-KXUCPTDWSA-N 1 3 249.305 -0.280 20 0 BBADHO [NH3+][C@@H](CC(F)F)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000903931402 584825313 /nfs/dbraw/zinc/82/53/13/584825313.db2.gz CPNWLWIZWGUQLT-LPEHRKFASA-N 1 3 249.305 -0.280 20 0 BBADHO CC(=O)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301193 584861364 /nfs/dbraw/zinc/86/13/64/584861364.db2.gz AVSJBWMARQSJDU-PHIMTYICSA-N 1 3 211.309 -0.112 20 0 BBADHO CN(CC(=O)N1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304019 584861749 /nfs/dbraw/zinc/86/17/49/584861749.db2.gz PDHVSFWFVARANA-PHIMTYICSA-N 1 3 241.335 -0.486 20 0 BBADHO CN(CC(=O)NC1CC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304061 584861791 /nfs/dbraw/zinc/86/17/91/584861791.db2.gz QDMKCXMTLLFGJL-DTORHVGOSA-N 1 3 211.309 -0.066 20 0 BBADHO COCCCNC(=O)CN(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305679 584862352 /nfs/dbraw/zinc/86/23/52/584862352.db2.gz SVUACDBZASTHIV-PHIMTYICSA-N 1 3 243.351 -0.192 20 0 BBADHO COCCN(CC(=O)N(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309707 584862794 /nfs/dbraw/zinc/86/27/94/584862794.db2.gz PTYCSYFSTRICOU-PHIMTYICSA-N 1 3 243.351 -0.240 20 0 BBADHO CNC(=O)[C@@H]1CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312457 584863480 /nfs/dbraw/zinc/86/34/80/584863480.db2.gz PZTZYRKCCVSERC-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CNC(=O)[C@H]1CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312458 584863682 /nfs/dbraw/zinc/86/36/82/584863682.db2.gz PZTZYRKCCVSERC-KXUCPTDWSA-N 1 3 211.309 -0.066 20 0 BBADHO COCCN(C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)C(N)=O ZINC000904317892 584864235 /nfs/dbraw/zinc/86/42/35/584864235.db2.gz JFAGWOZGPIRIRZ-BBBLOLIVSA-N 1 3 229.324 -0.454 20 0 BBADHO COCCN(C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)C(N)=O ZINC000904317893 584864097 /nfs/dbraw/zinc/86/40/97/584864097.db2.gz JFAGWOZGPIRIRZ-LPEHRKFASA-N 1 3 229.324 -0.454 20 0 BBADHO C[C@@H]1CO[C@@H](CO)CN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327745 584865043 /nfs/dbraw/zinc/86/50/43/584865043.db2.gz IHKRNUUNYODXQO-CHWFTXMASA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@H]1CO[C@H](CO)CN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327747 584865446 /nfs/dbraw/zinc/86/54/46/584865446.db2.gz IHKRNUUNYODXQO-MMWGEVLESA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@H]1CO[C@@H](CO)CN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327748 584865582 /nfs/dbraw/zinc/86/55/82/584865582.db2.gz IHKRNUUNYODXQO-UKKRHICBSA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@@H]1CO[C@H](CO)CN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327749 584865038 /nfs/dbraw/zinc/86/50/38/584865038.db2.gz IHKRNUUNYODXQO-ZNSHCXBVSA-N 1 3 214.309 -0.195 20 0 BBADHO CNS(=O)(=O)[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904328379 584865408 /nfs/dbraw/zinc/86/54/08/584865408.db2.gz OGEODECMKSOMGT-AEJSXWLSSA-N 1 3 247.364 -0.653 20 0 BBADHO CNS(=O)(=O)[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904328387 584865491 /nfs/dbraw/zinc/86/54/91/584865491.db2.gz OGEODECMKSOMGT-KXUCPTDWSA-N 1 3 247.364 -0.653 20 0 BBADHO [NH3+][C@H]1C[C@@H](CN2CCN3C(=O)NC[C@H]3C2)C1 ZINC000904328388 584865666 /nfs/dbraw/zinc/86/56/66/584865666.db2.gz OHAGNORPTUAYNM-AEJSXWLSSA-N 1 3 224.308 -0.567 20 0 BBADHO [NH3+][C@H]1C[C@@H](CN2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000904328394 584865318 /nfs/dbraw/zinc/86/53/18/584865318.db2.gz OHAGNORPTUAYNM-KXUCPTDWSA-N 1 3 224.308 -0.567 20 0 BBADHO NS(=O)(=O)[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904336862 584863623 /nfs/dbraw/zinc/86/36/23/584863623.db2.gz WNYXTAJHZFTRCL-AEJSXWLSSA-N 1 3 247.364 -0.523 20 0 BBADHO NS(=O)(=O)[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904336863 584863598 /nfs/dbraw/zinc/86/35/98/584863598.db2.gz WNYXTAJHZFTRCL-KXUCPTDWSA-N 1 3 247.364 -0.523 20 0 BBADHO [NH3+][C@H]1C[C@@H](CN2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000904341304 584867430 /nfs/dbraw/zinc/86/74/30/584867430.db2.gz NCGBFYNZWIXFNW-AEJSXWLSSA-N 1 3 225.292 -0.140 20 0 BBADHO [NH3+][C@H]1C[C@@H](CN2CCN3C(=O)OC[C@H]3C2)C1 ZINC000904341305 584867297 /nfs/dbraw/zinc/86/72/97/584867297.db2.gz NCGBFYNZWIXFNW-KXUCPTDWSA-N 1 3 225.292 -0.140 20 0 BBADHO [NH3+][C@H]1C[C@@H](CN2CCN3CCOC[C@H]3C2)C1 ZINC000904341491 584867526 /nfs/dbraw/zinc/86/75/26/584867526.db2.gz SCZRWUOWIQOWRR-GRYCIOLGSA-N 1 3 225.336 -0.260 20 0 BBADHO [NH3+][C@H]1C[C@@H](CN2CCN3CCOC[C@@H]3C2)C1 ZINC000904341492 584867062 /nfs/dbraw/zinc/86/70/62/584867062.db2.gz SCZRWUOWIQOWRR-TUAOUCFPSA-N 1 3 225.336 -0.260 20 0 BBADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H](CO)O1 ZINC000904345285 584868493 /nfs/dbraw/zinc/86/84/93/584868493.db2.gz CGTIXFMREICFFH-CHWFTXMASA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](CO)O1 ZINC000904345286 584868510 /nfs/dbraw/zinc/86/85/10/584868510.db2.gz CGTIXFMREICFFH-MMWGEVLESA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H](CO)O1 ZINC000904345287 584868176 /nfs/dbraw/zinc/86/81/76/584868176.db2.gz CGTIXFMREICFFH-UKKRHICBSA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](CO)O1 ZINC000904345288 584868255 /nfs/dbraw/zinc/86/82/55/584868255.db2.gz CGTIXFMREICFFH-ZNSHCXBVSA-N 1 3 214.309 -0.195 20 0 BBADHO COC(=O)[C@@H]1CNCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349639 584868972 /nfs/dbraw/zinc/86/89/72/584868972.db2.gz CDLBTQGRKQCCSN-AXFHLTTASA-N 1 3 241.335 -0.439 20 0 BBADHO COC(=O)[C@H]1CNCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349641 584869099 /nfs/dbraw/zinc/86/90/99/584869099.db2.gz CDLBTQGRKQCCSN-OUAUKWLOSA-N 1 3 241.335 -0.439 20 0 BBADHO CCN(C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCNC1=O ZINC000904349999 584869180 /nfs/dbraw/zinc/86/91/80/584869180.db2.gz GCYINMYNNANHPW-AEJSXWLSSA-N 1 3 211.309 -0.066 20 0 BBADHO CCN(C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCNC1=O ZINC000904350000 584869125 /nfs/dbraw/zinc/86/91/25/584869125.db2.gz GCYINMYNNANHPW-KXUCPTDWSA-N 1 3 211.309 -0.066 20 0 BBADHO [NH3+][C@H]1C[C@@H](CN2C[C@@H]3COC[C@H](C2)O3)C1 ZINC000904351531 584869539 /nfs/dbraw/zinc/86/95/39/584869539.db2.gz XOKMSCJZNHEOSC-DTIDVZRVSA-N 1 3 212.293 -0.177 20 0 BBADHO C[NH2+]CCNCc1ccc(N2CCNCC2)o1 ZINC000904354466 584870269 /nfs/dbraw/zinc/87/02/69/584870269.db2.gz ZEMSXWYTBDNRDW-UHFFFAOYSA-N 1 3 238.335 -0.002 20 0 BBADHO [NH3+]CC1CC(NCC(=O)NCC(F)(F)F)C1 ZINC000904359319 584871746 /nfs/dbraw/zinc/87/17/46/584871746.db2.gz JQWCDZICYNASPY-UHFFFAOYSA-N 1 3 239.241 -0.008 20 0 BBADHO Cn1nccc1CNC1CCN(CC[NH3+])CC1 ZINC000904364514 584874421 /nfs/dbraw/zinc/87/44/21/584874421.db2.gz YLCUMGPUIDJBLU-UHFFFAOYSA-N 1 3 237.351 -0.067 20 0 BBADHO [NH3+]CC1CC(NCC(=O)NCC2CC2)C1 ZINC000904367938 584872715 /nfs/dbraw/zinc/87/27/15/584872715.db2.gz KTRQQQKISAZPRV-UHFFFAOYSA-N 1 3 211.309 -0.161 20 0 BBADHO C[C@]1(CNC[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000904370532 584873450 /nfs/dbraw/zinc/87/34/50/584873450.db2.gz AAPNURWELFKEOW-NEPJUHHUSA-N 1 3 227.352 -0.046 20 0 BBADHO C[C@@]1(CNC[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000904370533 584873393 /nfs/dbraw/zinc/87/33/93/584873393.db2.gz AAPNURWELFKEOW-NWDGAFQWSA-N 1 3 227.352 -0.046 20 0 BBADHO C[C@]1(CNC[C@@H]2CNCCO2)CCC[NH2+]C1 ZINC000904370534 584873068 /nfs/dbraw/zinc/87/30/68/584873068.db2.gz AAPNURWELFKEOW-RYUDHWBXSA-N 1 3 227.352 -0.046 20 0 BBADHO C[C@@]1(CNC[C@H]2CNCCO2)CCC[NH2+]C1 ZINC000904370535 584873237 /nfs/dbraw/zinc/87/32/37/584873237.db2.gz AAPNURWELFKEOW-VXGBXAGGSA-N 1 3 227.352 -0.046 20 0 BBADHO C[C@@H](O)[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373545 584873723 /nfs/dbraw/zinc/87/37/23/584873723.db2.gz SYANCRAFJSVRQB-CHWFTXMASA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@H](O)[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373546 584874033 /nfs/dbraw/zinc/87/40/33/584874033.db2.gz SYANCRAFJSVRQB-MMWGEVLESA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@H](O)[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373547 584873747 /nfs/dbraw/zinc/87/37/47/584873747.db2.gz SYANCRAFJSVRQB-UKKRHICBSA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@@H](O)[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373548 584873946 /nfs/dbraw/zinc/87/39/46/584873946.db2.gz SYANCRAFJSVRQB-ZNSHCXBVSA-N 1 3 214.309 -0.195 20 0 BBADHO CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CCC1=O ZINC000904379726 584876664 /nfs/dbraw/zinc/87/66/64/584876664.db2.gz VOPLMCQXWJARFV-AOOOYVTPSA-N 1 3 211.309 -0.112 20 0 BBADHO C[C@]1(CNC[C@@H]2COCCN2)CCC[NH2+]C1 ZINC000904381244 584876563 /nfs/dbraw/zinc/87/65/63/584876563.db2.gz LZELVWLAHSCJCW-NEPJUHHUSA-N 1 3 227.352 -0.046 20 0 BBADHO C[C@@]1(CNC[C@H]2COCCN2)CCC[NH2+]C1 ZINC000904381246 584876766 /nfs/dbraw/zinc/87/67/66/584876766.db2.gz LZELVWLAHSCJCW-NWDGAFQWSA-N 1 3 227.352 -0.046 20 0 BBADHO C[C@]1(CNC[C@H]2COCCN2)CCC[NH2+]C1 ZINC000904381248 584876743 /nfs/dbraw/zinc/87/67/43/584876743.db2.gz LZELVWLAHSCJCW-RYUDHWBXSA-N 1 3 227.352 -0.046 20 0 BBADHO C[C@@]1(CNC[C@@H]2COCCN2)CCC[NH2+]C1 ZINC000904381249 584876918 /nfs/dbraw/zinc/87/69/18/584876918.db2.gz LZELVWLAHSCJCW-VXGBXAGGSA-N 1 3 227.352 -0.046 20 0 BBADHO [NH3+][C@H]1C[C@@H](CN2CCN(c3nccnn3)CC2)C1 ZINC000904381504 584877456 /nfs/dbraw/zinc/87/74/56/584877456.db2.gz WTSBIEAOXQFLNX-PHIMTYICSA-N 1 3 248.334 -0.269 20 0 BBADHO C([C@H]1CCCOC1)N1CCNCC[NH2+]CC1 ZINC000904396093 584875572 /nfs/dbraw/zinc/87/55/72/584875572.db2.gz DBVUDLUIUKYHKX-GFCCVEGCSA-N 1 3 227.352 -0.092 20 0 BBADHO C([C@@H]1CCCOC1)N1CCNCC[NH2+]CC1 ZINC000904396096 584875398 /nfs/dbraw/zinc/87/53/98/584875398.db2.gz DBVUDLUIUKYHKX-LBPRGKRZSA-N 1 3 227.352 -0.092 20 0 BBADHO C(CN1CCNCC[NH2+]CC1)[C@@H]1CCOC1 ZINC000904396272 584875601 /nfs/dbraw/zinc/87/56/01/584875601.db2.gz DVNLPOSBWHRTTL-GFCCVEGCSA-N 1 3 227.352 -0.092 20 0 BBADHO C(CN1CCNCC[NH2+]CC1)[C@H]1CCOC1 ZINC000904396273 584875236 /nfs/dbraw/zinc/87/52/36/584875236.db2.gz DVNLPOSBWHRTTL-LBPRGKRZSA-N 1 3 227.352 -0.092 20 0 BBADHO COC[C@H](C)CN1CCNCC[NH2+]CC1 ZINC000904396473 584875634 /nfs/dbraw/zinc/87/56/34/584875634.db2.gz IEWSHLQIBQSBKI-LLVKDONJSA-N 1 3 215.341 -0.236 20 0 BBADHO COC[C@@H](C)CN1CCNCC[NH2+]CC1 ZINC000904396474 584875219 /nfs/dbraw/zinc/87/52/19/584875219.db2.gz IEWSHLQIBQSBKI-NSHDSACASA-N 1 3 215.341 -0.236 20 0 BBADHO CCO[C@H](CNC[C@@H](C)O)C[NH+](C)C ZINC000905574601 637850074 /nfs/dbraw/zinc/85/00/74/637850074.db2.gz BRIMVRCFXPWDMG-NXEZZACHSA-N 1 3 204.314 -0.077 20 0 BBADHO CCO[C@@H](CNC[C@H](C)O)C[NH+](C)C ZINC000905574619 637850721 /nfs/dbraw/zinc/85/07/21/637850721.db2.gz BRIMVRCFXPWDMG-UWVGGRQHSA-N 1 3 204.314 -0.077 20 0 BBADHO CCO[C@H](CNC[C@H](C)O)C[NH+](C)C ZINC000905574620 637850138 /nfs/dbraw/zinc/85/01/38/637850138.db2.gz BRIMVRCFXPWDMG-VHSXEESVSA-N 1 3 204.314 -0.077 20 0 BBADHO CCO[C@@H](CNC[C@@H](C)O)C[NH+](C)C ZINC000905574622 637850993 /nfs/dbraw/zinc/85/09/93/637850993.db2.gz BRIMVRCFXPWDMG-ZJUUUORDSA-N 1 3 204.314 -0.077 20 0 BBADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](CO)C1)C1CC1 ZINC000905639692 637878663 /nfs/dbraw/zinc/87/86/63/637878663.db2.gz MFJZFDRXZOXKSQ-CKYFFXLPSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](CO)C1)C1CC1 ZINC000905639692 637878659 /nfs/dbraw/zinc/87/86/59/637878659.db2.gz MFJZFDRXZOXKSQ-CKYFFXLPSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](CO)C1)C1CC1 ZINC000905639693 637879227 /nfs/dbraw/zinc/87/92/27/637879227.db2.gz MFJZFDRXZOXKSQ-NHCYSSNCSA-N 1 3 228.336 -0.198 20 0 BBADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](CO)C1)C1CC1 ZINC000905639693 637879222 /nfs/dbraw/zinc/87/92/22/637879222.db2.gz MFJZFDRXZOXKSQ-NHCYSSNCSA-N 1 3 228.336 -0.198 20 0 BBADHO OC[C@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905641419 637880183 /nfs/dbraw/zinc/88/01/83/637880183.db2.gz SZUSXRIPWQRRMC-IJLUTSLNSA-N 1 3 228.336 -0.196 20 0 BBADHO OC[C@H]1C[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000905641420 637880540 /nfs/dbraw/zinc/88/05/40/637880540.db2.gz SZUSXRIPWQRRMC-SRVKXCTJSA-N 1 3 228.336 -0.196 20 0 BBADHO CC(C)C[C@@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000906091356 638049025 /nfs/dbraw/zinc/04/90/25/638049025.db2.gz DQBNODAWQWQWOV-AXFHLTTASA-N 1 3 243.351 -0.066 20 0 BBADHO CC(C)C[C@@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000906091357 638048242 /nfs/dbraw/zinc/04/82/42/638048242.db2.gz DQBNODAWQWQWOV-GMTAPVOTSA-N 1 3 243.351 -0.066 20 0 BBADHO CC(C)C[C@@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000906091359 638048419 /nfs/dbraw/zinc/04/84/19/638048419.db2.gz DQBNODAWQWQWOV-HBNTYKKESA-N 1 3 243.351 -0.066 20 0 BBADHO CC(C)C[C@@H](N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000906091360 638050024 /nfs/dbraw/zinc/05/00/24/638050024.db2.gz DQBNODAWQWQWOV-MXWKQRLJSA-N 1 3 243.351 -0.066 20 0 BBADHO C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC000907804149 638469289 /nfs/dbraw/zinc/46/92/89/638469289.db2.gz ASQZYXFOJBHZTH-AOOOYVTPSA-N 1 3 234.303 -0.028 20 0 BBADHO C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC000907804149 638469281 /nfs/dbraw/zinc/46/92/81/638469281.db2.gz ASQZYXFOJBHZTH-AOOOYVTPSA-N 1 3 234.303 -0.028 20 0 BBADHO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000909144981 639161284 /nfs/dbraw/zinc/16/12/84/639161284.db2.gz BZGVNBVYHCRFBP-IAZYJMLFSA-N 1 3 234.303 -0.029 20 0 BBADHO [NH3+]CCNC(=O)c1cccc2c1OCCNC2 ZINC000911628735 639687624 /nfs/dbraw/zinc/68/76/24/639687624.db2.gz BRBHFCCEQBQEFL-UHFFFAOYSA-N 1 3 235.287 -0.143 20 0 BBADHO [NH3+]CCNC(=O)c1ccc2c(c1)OCCNC2 ZINC000911630414 639690960 /nfs/dbraw/zinc/69/09/60/639690960.db2.gz VSFPJVMDJXXAJN-UHFFFAOYSA-N 1 3 235.287 -0.143 20 0 BBADHO CN1CCNC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000911673181 639734543 /nfs/dbraw/zinc/73/45/43/639734543.db2.gz SRLDNDNSJZEUQM-LLVKDONJSA-N 1 3 240.351 -0.994 20 0 BBADHO CN1CCNC[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000911673235 639736266 /nfs/dbraw/zinc/73/62/66/639736266.db2.gz SRLDNDNSJZEUQM-NSHDSACASA-N 1 3 240.351 -0.994 20 0 BBADHO CC[NH2+]CCCNC(=O)[C@@H]1CNCCN1C ZINC000911685884 639725232 /nfs/dbraw/zinc/72/52/32/639725232.db2.gz VMULPDJXDIFBCZ-JTQLQIEISA-N 1 3 228.340 -0.994 20 0 BBADHO CC[NH2+]CCCNC(=O)[C@H]1CNCCN1C ZINC000911685885 639726049 /nfs/dbraw/zinc/72/60/49/639726049.db2.gz VMULPDJXDIFBCZ-SNVBAGLBSA-N 1 3 228.340 -0.994 20 0 BBADHO CN(C(=O)[C@H]1CNCCN1C)C1CC[NH2+]CC1 ZINC000911693046 639727215 /nfs/dbraw/zinc/72/72/15/639727215.db2.gz YVCPUMHNKQQYKS-LLVKDONJSA-N 1 3 240.351 -0.900 20 0 BBADHO CN(C(=O)[C@@H]1CNCCN1C)C1CC[NH2+]CC1 ZINC000911693047 639728429 /nfs/dbraw/zinc/72/84/29/639728429.db2.gz YVCPUMHNKQQYKS-NSHDSACASA-N 1 3 240.351 -0.900 20 0 BBADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911704068 639757844 /nfs/dbraw/zinc/75/78/44/639757844.db2.gz OSGCTTAKJRDTIY-GHMZBOCLSA-N 1 3 240.351 -0.994 20 0 BBADHO CN1CCNC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911704070 639758576 /nfs/dbraw/zinc/75/85/76/639758576.db2.gz OSGCTTAKJRDTIY-MNOVXSKESA-N 1 3 240.351 -0.994 20 0 BBADHO CN1CCNC[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911704071 639757970 /nfs/dbraw/zinc/75/79/70/639757970.db2.gz OSGCTTAKJRDTIY-QWRGUYRKSA-N 1 3 240.351 -0.994 20 0 BBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911704073 639758169 /nfs/dbraw/zinc/75/81/69/639758169.db2.gz OSGCTTAKJRDTIY-WDEREUQCSA-N 1 3 240.351 -0.994 20 0 BBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712786 639739704 /nfs/dbraw/zinc/73/97/04/639739704.db2.gz DMQQGLDSXNVXIH-GHMZBOCLSA-N 1 3 240.351 -0.852 20 0 BBADHO CN1CCNC[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712791 639739050 /nfs/dbraw/zinc/73/90/50/639739050.db2.gz DMQQGLDSXNVXIH-MNOVXSKESA-N 1 3 240.351 -0.852 20 0 BBADHO CN1CCNC[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712794 639740429 /nfs/dbraw/zinc/74/04/29/639740429.db2.gz DMQQGLDSXNVXIH-QWRGUYRKSA-N 1 3 240.351 -0.852 20 0 BBADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712797 639739949 /nfs/dbraw/zinc/73/99/49/639739949.db2.gz DMQQGLDSXNVXIH-WDEREUQCSA-N 1 3 240.351 -0.852 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC000911736720 639761597 /nfs/dbraw/zinc/76/15/97/639761597.db2.gz MZLGIBUVFQAJLE-GHMZBOCLSA-N 1 3 240.351 -0.900 20 0 BBADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC000911736721 639762635 /nfs/dbraw/zinc/76/26/35/639762635.db2.gz MZLGIBUVFQAJLE-MNOVXSKESA-N 1 3 240.351 -0.900 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC000911736722 639763103 /nfs/dbraw/zinc/76/31/03/639763103.db2.gz MZLGIBUVFQAJLE-QWRGUYRKSA-N 1 3 240.351 -0.900 20 0 BBADHO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC000911736723 639762115 /nfs/dbraw/zinc/76/21/15/639762115.db2.gz MZLGIBUVFQAJLE-WDEREUQCSA-N 1 3 240.351 -0.900 20 0 BBADHO CSCC[C@@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000911762607 639789173 /nfs/dbraw/zinc/78/91/73/639789173.db2.gz QUDUAKWOVJWOCW-SSDOTTSWSA-N 1 3 219.354 -0.080 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)[C@H]1CNCCN1C ZINC000911764154 639791877 /nfs/dbraw/zinc/79/18/77/639791877.db2.gz PRWAKHFHNPAVTR-LLVKDONJSA-N 1 3 242.367 -0.606 20 0 BBADHO CC(C)[NH2+]CCCNC(=O)[C@@H]1CNCCN1C ZINC000911764156 639790491 /nfs/dbraw/zinc/79/04/91/639790491.db2.gz PRWAKHFHNPAVTR-NSHDSACASA-N 1 3 242.367 -0.606 20 0 BBADHO CN1CCNC[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911765552 639791759 /nfs/dbraw/zinc/79/17/59/639791759.db2.gz BVHKWASKHCCWMS-GHMZBOCLSA-N 1 3 240.351 -0.994 20 0 BBADHO CN1CCNC[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911765553 639790383 /nfs/dbraw/zinc/79/03/83/639790383.db2.gz BVHKWASKHCCWMS-MNOVXSKESA-N 1 3 240.351 -0.994 20 0 BBADHO CN1CCNC[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911765554 639790594 /nfs/dbraw/zinc/79/05/94/639790594.db2.gz BVHKWASKHCCWMS-QWRGUYRKSA-N 1 3 240.351 -0.994 20 0 BBADHO CN1CCNC[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911765555 639791408 /nfs/dbraw/zinc/79/14/08/639791408.db2.gz BVHKWASKHCCWMS-WDEREUQCSA-N 1 3 240.351 -0.994 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@H](C)N1 ZINC000911795333 639819776 /nfs/dbraw/zinc/81/97/76/639819776.db2.gz JJZSTTOJYRDOIY-AXFHLTTASA-N 1 3 240.351 -0.901 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)C[C@@H](C)N1 ZINC000911795334 639819348 /nfs/dbraw/zinc/81/93/48/639819348.db2.gz JJZSTTOJYRDOIY-GMTAPVOTSA-N 1 3 240.351 -0.901 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@@H](C)N1 ZINC000911795335 639818904 /nfs/dbraw/zinc/81/89/04/639818904.db2.gz JJZSTTOJYRDOIY-MXWKQRLJSA-N 1 3 240.351 -0.901 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)C[C@H](C)N1 ZINC000911795336 639818420 /nfs/dbraw/zinc/81/84/20/639818420.db2.gz JJZSTTOJYRDOIY-OUAUKWLOSA-N 1 3 240.351 -0.901 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@@H](C)N1 ZINC000911798014 639819215 /nfs/dbraw/zinc/81/92/15/639819215.db2.gz SUSYGFDZTGHENH-BFLSOPEQSA-N 1 3 241.335 -0.692 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@H](C)N1 ZINC000911798017 639819644 /nfs/dbraw/zinc/81/96/44/639819644.db2.gz SUSYGFDZTGHENH-KLBPJQLPSA-N 1 3 241.335 -0.692 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@@H](C)N1 ZINC000911798019 639819008 /nfs/dbraw/zinc/81/90/08/639819008.db2.gz SUSYGFDZTGHENH-SVDPJWKOSA-N 1 3 241.335 -0.692 20 0 BBADHO C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@H](C)N1 ZINC000911798021 639819053 /nfs/dbraw/zinc/81/90/53/639819053.db2.gz SUSYGFDZTGHENH-WYFGTUCQSA-N 1 3 241.335 -0.692 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)[C@@H]1CNCCN1C ZINC000911798923 639820522 /nfs/dbraw/zinc/82/05/22/639820522.db2.gz ANNNROQMEIQGIZ-JTQLQIEISA-N 1 3 242.367 -0.476 20 0 BBADHO CCC(CC)(C[NH3+])NC(=O)[C@H]1CNCCN1C ZINC000911798924 639820617 /nfs/dbraw/zinc/82/06/17/639820617.db2.gz ANNNROQMEIQGIZ-SNVBAGLBSA-N 1 3 242.367 -0.476 20 0 BBADHO CN1CCNC[C@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911799329 639820557 /nfs/dbraw/zinc/82/05/57/639820557.db2.gz FUKWUJKGROBDMA-CMPLNLGQSA-N 1 3 240.351 -0.866 20 0 BBADHO CN1CCNC[C@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911799330 639820493 /nfs/dbraw/zinc/82/04/93/639820493.db2.gz FUKWUJKGROBDMA-JQWIXIFHSA-N 1 3 240.351 -0.866 20 0 BBADHO CN1CCNC[C@@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911799331 639821503 /nfs/dbraw/zinc/82/15/03/639821503.db2.gz FUKWUJKGROBDMA-PWSUYJOCSA-N 1 3 240.351 -0.866 20 0 BBADHO CN1CCNC[C@@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911799332 639821080 /nfs/dbraw/zinc/82/10/80/639821080.db2.gz FUKWUJKGROBDMA-ZYHUDNBSSA-N 1 3 240.351 -0.866 20 0 BBADHO CN1CCNC[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000911800267 639823218 /nfs/dbraw/zinc/82/32/18/639823218.db2.gz QFTGLRHFEAULKZ-JTQLQIEISA-N 1 3 240.351 -0.722 20 0 BBADHO CN1CCNC[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000911800268 639822102 /nfs/dbraw/zinc/82/21/02/639822102.db2.gz QFTGLRHFEAULKZ-SNVBAGLBSA-N 1 3 240.351 -0.722 20 0 BBADHO CSCC[C@@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC000911809835 639831166 /nfs/dbraw/zinc/83/11/66/639831166.db2.gz JIRMVGJITAODKE-HTQZYQBOSA-N 1 3 219.354 -0.128 20 0 BBADHO CSCC[C@@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911809836 639830773 /nfs/dbraw/zinc/83/07/73/639830773.db2.gz JIRMVGJITAODKE-JGVFFNPUSA-N 1 3 219.354 -0.128 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CNCCN1C ZINC000911814304 639803808 /nfs/dbraw/zinc/80/38/08/639803808.db2.gz RCJSZTAAPDOIKR-GHMZBOCLSA-N 1 3 242.367 -0.620 20 0 BBADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CNCCN1C ZINC000911814306 639803971 /nfs/dbraw/zinc/80/39/71/639803971.db2.gz RCJSZTAAPDOIKR-MNOVXSKESA-N 1 3 242.367 -0.620 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CNCCN1C ZINC000911814309 639803624 /nfs/dbraw/zinc/80/36/24/639803624.db2.gz RCJSZTAAPDOIKR-QWRGUYRKSA-N 1 3 242.367 -0.620 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CNCCN1C ZINC000911814310 639803536 /nfs/dbraw/zinc/80/35/36/639803536.db2.gz RCJSZTAAPDOIKR-WDEREUQCSA-N 1 3 242.367 -0.620 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2CNCCN2C)CC[C@H]1[NH3+] ZINC000911816624 639849224 /nfs/dbraw/zinc/84/92/24/639849224.db2.gz CLEAAKPLGYYFHO-GMTAPVOTSA-N 1 3 240.351 -0.914 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CNCCN2C)CC[C@H]1[NH3+] ZINC000911816626 639847927 /nfs/dbraw/zinc/84/79/27/639847927.db2.gz CLEAAKPLGYYFHO-MXWKQRLJSA-N 1 3 240.351 -0.914 20 0 BBADHO C[C@@H]1CN(C(=O)[C@H]2CNCCN2C)CC[C@@H]1[NH3+] ZINC000911816627 639848870 /nfs/dbraw/zinc/84/88/70/639848870.db2.gz CLEAAKPLGYYFHO-OUAUKWLOSA-N 1 3 240.351 -0.914 20 0 BBADHO C[C@@H]1CN(C(=O)[C@@H]2CNCCN2C)CC[C@@H]1[NH3+] ZINC000911816628 639848495 /nfs/dbraw/zinc/84/84/95/639848495.db2.gz CLEAAKPLGYYFHO-VWYCJHECSA-N 1 3 240.351 -0.914 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CNCCN1C ZINC000911836043 639847011 /nfs/dbraw/zinc/84/70/11/639847011.db2.gz OFGKKPJTYRVCLC-CMPLNLGQSA-N 1 3 242.367 -0.620 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CNCCN1C ZINC000911836044 639847207 /nfs/dbraw/zinc/84/72/07/639847207.db2.gz OFGKKPJTYRVCLC-JQWIXIFHSA-N 1 3 242.367 -0.620 20 0 BBADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CNCCN1C ZINC000911836045 639846289 /nfs/dbraw/zinc/84/62/89/639846289.db2.gz OFGKKPJTYRVCLC-PWSUYJOCSA-N 1 3 242.367 -0.620 20 0 BBADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CNCCN1C ZINC000911836046 639846760 /nfs/dbraw/zinc/84/67/60/639846760.db2.gz OFGKKPJTYRVCLC-ZYHUDNBSSA-N 1 3 242.367 -0.620 20 0 BBADHO CN1CC[NH2+]C[C@H]1C(=O)N1CCNCC1(C)C ZINC000911845377 639854281 /nfs/dbraw/zinc/85/42/81/639854281.db2.gz JHCYOTDARFEDFR-JTQLQIEISA-N 1 3 240.351 -0.900 20 0 BBADHO CN1CC[NH2+]C[C@@H]1C(=O)N1CCNCC1(C)C ZINC000911845378 639855205 /nfs/dbraw/zinc/85/52/05/639855205.db2.gz JHCYOTDARFEDFR-SNVBAGLBSA-N 1 3 240.351 -0.900 20 0 BBADHO CC1(C)CNCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911846863 639856777 /nfs/dbraw/zinc/85/67/77/639856777.db2.gz ODPZXOTVGBVNHA-RKDXNWHRSA-N 1 3 211.309 -0.208 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)[C@@H]1CNCCN1C ZINC000911858857 639850271 /nfs/dbraw/zinc/85/02/71/639850271.db2.gz VRAUPKRWKVPSET-JTQLQIEISA-N 1 3 242.367 -0.476 20 0 BBADHO CCC([NH3+])(CC)CNC(=O)[C@H]1CNCCN1C ZINC000911858858 639849964 /nfs/dbraw/zinc/84/99/64/639849964.db2.gz VRAUPKRWKVPSET-SNVBAGLBSA-N 1 3 242.367 -0.476 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CNCCN1C ZINC000911863669 639850570 /nfs/dbraw/zinc/85/05/70/639850570.db2.gz ANONFKIODIIERU-JTQLQIEISA-N 1 3 242.367 -0.667 20 0 BBADHO CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CNCCN1C ZINC000911863671 639850128 /nfs/dbraw/zinc/85/01/28/639850128.db2.gz ANONFKIODIIERU-SNVBAGLBSA-N 1 3 242.367 -0.667 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CNCCN1C ZINC000911864919 639852091 /nfs/dbraw/zinc/85/20/91/639852091.db2.gz VMPCYVRBPDFTBI-GHMZBOCLSA-N 1 3 240.351 -0.900 20 0 BBADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CNCCN1C ZINC000911864920 639851323 /nfs/dbraw/zinc/85/13/23/639851323.db2.gz VMPCYVRBPDFTBI-MNOVXSKESA-N 1 3 240.351 -0.900 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CNCCN1C ZINC000911864921 639852047 /nfs/dbraw/zinc/85/20/47/639852047.db2.gz VMPCYVRBPDFTBI-QWRGUYRKSA-N 1 3 240.351 -0.900 20 0 BBADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CNCCN1C ZINC000911864922 639852297 /nfs/dbraw/zinc/85/22/97/639852297.db2.gz VMPCYVRBPDFTBI-WDEREUQCSA-N 1 3 240.351 -0.900 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CNCCN1C ZINC000911878239 639865350 /nfs/dbraw/zinc/86/53/50/639865350.db2.gz FLNQGZQZKHXBPE-GHMZBOCLSA-N 1 3 242.367 -0.476 20 0 BBADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CNCCN1C ZINC000911878244 639865320 /nfs/dbraw/zinc/86/53/20/639865320.db2.gz FLNQGZQZKHXBPE-MNOVXSKESA-N 1 3 242.367 -0.476 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CNCCN1C ZINC000911878248 639864590 /nfs/dbraw/zinc/86/45/90/639864590.db2.gz FLNQGZQZKHXBPE-QWRGUYRKSA-N 1 3 242.367 -0.476 20 0 BBADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CNCCN1C ZINC000911878250 639865438 /nfs/dbraw/zinc/86/54/38/639865438.db2.gz FLNQGZQZKHXBPE-WDEREUQCSA-N 1 3 242.367 -0.476 20 0 BBADHO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCCN1C ZINC000912599811 640126027 /nfs/dbraw/zinc/12/60/27/640126027.db2.gz MRGGODFMNBIEQP-LLVKDONJSA-N 1 3 243.351 -0.537 20 0 BBADHO CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCCN1C ZINC000912599811 640126021 /nfs/dbraw/zinc/12/60/21/640126021.db2.gz MRGGODFMNBIEQP-LLVKDONJSA-N 1 3 243.351 -0.537 20 0 BBADHO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCCN1C ZINC000912599812 640126978 /nfs/dbraw/zinc/12/69/78/640126978.db2.gz MRGGODFMNBIEQP-NSHDSACASA-N 1 3 243.351 -0.537 20 0 BBADHO CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCCN1C ZINC000912599812 640126976 /nfs/dbraw/zinc/12/69/76/640126976.db2.gz MRGGODFMNBIEQP-NSHDSACASA-N 1 3 243.351 -0.537 20 0 BBADHO CCN(CC)CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912605993 640133925 /nfs/dbraw/zinc/13/39/25/640133925.db2.gz GEQULMSZVPSXIP-UHFFFAOYSA-N 1 3 245.367 -0.289 20 0 BBADHO CCN(CC)CC(=O)N(C)CC[N@H+](C)CCO ZINC000912605993 640133914 /nfs/dbraw/zinc/13/39/14/640133914.db2.gz GEQULMSZVPSXIP-UHFFFAOYSA-N 1 3 245.367 -0.289 20 0 BBADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912607114 640137249 /nfs/dbraw/zinc/13/72/49/640137249.db2.gz QWSKTBTWDNVJDR-UHFFFAOYSA-N 1 3 245.367 -0.289 20 0 BBADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)CCO ZINC000912607114 640137245 /nfs/dbraw/zinc/13/72/45/640137245.db2.gz QWSKTBTWDNVJDR-UHFFFAOYSA-N 1 3 245.367 -0.289 20 0 BBADHO CN(CC[N@@H+](C)CCO)C(=O)CN1CCCC1 ZINC000912607527 640138202 /nfs/dbraw/zinc/13/82/02/640138202.db2.gz HGILMDWHVPEALN-UHFFFAOYSA-N 1 3 243.351 -0.535 20 0 BBADHO CN(CC[N@H+](C)CCO)C(=O)CN1CCCC1 ZINC000912607527 640138198 /nfs/dbraw/zinc/13/81/98/640138198.db2.gz HGILMDWHVPEALN-UHFFFAOYSA-N 1 3 243.351 -0.535 20 0 BBADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CCO)N(C)C ZINC000912608437 640135387 /nfs/dbraw/zinc/13/53/87/640135387.db2.gz VNPHWFGSHQUVLW-LLVKDONJSA-N 1 3 245.367 -0.291 20 0 BBADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CCO)N(C)C ZINC000912608437 640135382 /nfs/dbraw/zinc/13/53/82/640135382.db2.gz VNPHWFGSHQUVLW-LLVKDONJSA-N 1 3 245.367 -0.291 20 0 BBADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)N(C)C ZINC000912608438 640138678 /nfs/dbraw/zinc/13/86/78/640138678.db2.gz VNPHWFGSHQUVLW-NSHDSACASA-N 1 3 245.367 -0.291 20 0 BBADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CCO)N(C)C ZINC000912608438 640138673 /nfs/dbraw/zinc/13/86/73/640138673.db2.gz VNPHWFGSHQUVLW-NSHDSACASA-N 1 3 245.367 -0.291 20 0 BBADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912609097 640136350 /nfs/dbraw/zinc/13/63/50/640136350.db2.gz XSISRSTVEJLEAS-UHFFFAOYSA-N 1 3 245.367 -0.291 20 0 BBADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)CCO ZINC000912609097 640136347 /nfs/dbraw/zinc/13/63/47/640136347.db2.gz XSISRSTVEJLEAS-UHFFFAOYSA-N 1 3 245.367 -0.291 20 0 BBADHO C[C@@H](C(=O)NC12CCN(CC1)C2)[NH+](C)C ZINC000913630667 641435109 /nfs/dbraw/zinc/43/51/09/641435109.db2.gz IJKYEFXROYSWHV-VIFPVBQESA-N 1 3 211.309 -0.099 20 0 BBADHO C[C@H](C(=O)NC12CCN(CC1)C2)[NH+](C)C ZINC000913636482 641439059 /nfs/dbraw/zinc/43/90/59/641439059.db2.gz IJKYEFXROYSWHV-SECBINFHSA-N 1 3 211.309 -0.099 20 0 BBADHO CN1CC[C@@H](NC(=S)NCC[NH+](C)C)C1 ZINC000919717617 642381239 /nfs/dbraw/zinc/38/12/39/642381239.db2.gz VGRILGPSIAOTBH-SECBINFHSA-N 1 3 230.381 -0.284 20 0 BBADHO CN1CC[C@H](NC(=S)NCC[NH+](C)C)C1 ZINC000919717635 642380466 /nfs/dbraw/zinc/38/04/66/642380466.db2.gz VGRILGPSIAOTBH-VIFPVBQESA-N 1 3 230.381 -0.284 20 0 BBADHO [NH3+]C[C@H]1CCCN(C[C@H](O)Cn2cccn2)C1 ZINC000923280484 644314373 /nfs/dbraw/zinc/31/43/73/644314373.db2.gz IWPYDNFSOBFRMS-NEPJUHHUSA-N 1 3 238.335 -0.085 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C[C@@H](O)Cn2cccn2)C1 ZINC000923280486 644315720 /nfs/dbraw/zinc/31/57/20/644315720.db2.gz IWPYDNFSOBFRMS-NWDGAFQWSA-N 1 3 238.335 -0.085 20 0 BBADHO [NH3+]C[C@@H]1CCCN(C[C@H](O)Cn2cccn2)C1 ZINC000923280488 644315861 /nfs/dbraw/zinc/31/58/61/644315861.db2.gz IWPYDNFSOBFRMS-RYUDHWBXSA-N 1 3 238.335 -0.085 20 0 BBADHO [NH3+]C[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1 ZINC000923280490 644314611 /nfs/dbraw/zinc/31/46/11/644314611.db2.gz IWPYDNFSOBFRMS-VXGBXAGGSA-N 1 3 238.335 -0.085 20 0 BBADHO CSC[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923281022 644315307 /nfs/dbraw/zinc/31/53/07/644315307.db2.gz LLBMAFUXFWMFCM-BDAKNGLRSA-N 1 3 204.339 -0.009 20 0 BBADHO CSC[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923281024 644313689 /nfs/dbraw/zinc/31/36/89/644313689.db2.gz LLBMAFUXFWMFCM-DTWKUNHWSA-N 1 3 204.339 -0.009 20 0 BBADHO CSC[C@@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923281026 644316102 /nfs/dbraw/zinc/31/61/02/644316102.db2.gz LLBMAFUXFWMFCM-IUCAKERBSA-N 1 3 204.339 -0.009 20 0 BBADHO CSC[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923281028 644315272 /nfs/dbraw/zinc/31/52/72/644315272.db2.gz LLBMAFUXFWMFCM-RKDXNWHRSA-N 1 3 204.339 -0.009 20 0 BBADHO CSC[C@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000923286573 644321411 /nfs/dbraw/zinc/32/14/11/644321411.db2.gz OQUIDXWSOSGBNE-LLVKDONJSA-N 1 3 247.408 -0.453 20 0 BBADHO CSC[C@@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000923286574 644321295 /nfs/dbraw/zinc/32/12/95/644321295.db2.gz OQUIDXWSOSGBNE-NSHDSACASA-N 1 3 247.408 -0.453 20 0 BBADHO COC[C@@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288583 644323667 /nfs/dbraw/zinc/32/36/67/644323667.db2.gz LDEFETMCSSSGRL-KXUCPTDWSA-N 1 3 202.298 -0.337 20 0 BBADHO CN(CCC[NH3+])C[C@H](O)Cn1cccn1 ZINC000923292064 644329293 /nfs/dbraw/zinc/32/92/93/644329293.db2.gz SJEJUNLXRBCKDL-JTQLQIEISA-N 1 3 212.297 -0.475 20 0 BBADHO CN(CCC[NH3+])C[C@@H](O)Cn1cccn1 ZINC000923292066 644329404 /nfs/dbraw/zinc/32/94/04/644329404.db2.gz SJEJUNLXRBCKDL-SNVBAGLBSA-N 1 3 212.297 -0.475 20 0 BBADHO C[C@H](CN)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923292397 644328987 /nfs/dbraw/zinc/32/89/87/644328987.db2.gz XOUNQOUXWPNOSX-NXEZZACHSA-N 1 3 212.297 -0.477 20 0 BBADHO C[C@H](CN)[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923292397 644328983 /nfs/dbraw/zinc/32/89/83/644328983.db2.gz XOUNQOUXWPNOSX-NXEZZACHSA-N 1 3 212.297 -0.477 20 0 BBADHO C[C@@H](CN)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000923292398 644329627 /nfs/dbraw/zinc/32/96/27/644329627.db2.gz XOUNQOUXWPNOSX-UWVGGRQHSA-N 1 3 212.297 -0.477 20 0 BBADHO C[C@@H](CN)[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000923292398 644329619 /nfs/dbraw/zinc/32/96/19/644329619.db2.gz XOUNQOUXWPNOSX-UWVGGRQHSA-N 1 3 212.297 -0.477 20 0 BBADHO C[C@@H](CN)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923292399 644328351 /nfs/dbraw/zinc/32/83/51/644328351.db2.gz XOUNQOUXWPNOSX-VHSXEESVSA-N 1 3 212.297 -0.477 20 0 BBADHO C[C@@H](CN)[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923292399 644328347 /nfs/dbraw/zinc/32/83/47/644328347.db2.gz XOUNQOUXWPNOSX-VHSXEESVSA-N 1 3 212.297 -0.477 20 0 BBADHO C[C@H](CN)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000923292400 644329692 /nfs/dbraw/zinc/32/96/92/644329692.db2.gz XOUNQOUXWPNOSX-ZJUUUORDSA-N 1 3 212.297 -0.477 20 0 BBADHO C[C@H](CN)[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000923292400 644329686 /nfs/dbraw/zinc/32/96/86/644329686.db2.gz XOUNQOUXWPNOSX-ZJUUUORDSA-N 1 3 212.297 -0.477 20 0 BBADHO NC[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923293411 644329041 /nfs/dbraw/zinc/32/90/41/644329041.db2.gz VGYYTJYANHSGQM-GHMZBOCLSA-N 1 3 224.308 -0.333 20 0 BBADHO NC[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923293411 644329039 /nfs/dbraw/zinc/32/90/39/644329039.db2.gz VGYYTJYANHSGQM-GHMZBOCLSA-N 1 3 224.308 -0.333 20 0 BBADHO NC[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923293412 644328391 /nfs/dbraw/zinc/32/83/91/644328391.db2.gz VGYYTJYANHSGQM-MNOVXSKESA-N 1 3 224.308 -0.333 20 0 BBADHO NC[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923293412 644328383 /nfs/dbraw/zinc/32/83/83/644328383.db2.gz VGYYTJYANHSGQM-MNOVXSKESA-N 1 3 224.308 -0.333 20 0 BBADHO NC[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923293413 644329656 /nfs/dbraw/zinc/32/96/56/644329656.db2.gz VGYYTJYANHSGQM-QWRGUYRKSA-N 1 3 224.308 -0.333 20 0 BBADHO NC[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923293413 644329651 /nfs/dbraw/zinc/32/96/51/644329651.db2.gz VGYYTJYANHSGQM-QWRGUYRKSA-N 1 3 224.308 -0.333 20 0 BBADHO NC[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923293414 644330004 /nfs/dbraw/zinc/33/00/04/644330004.db2.gz VGYYTJYANHSGQM-WDEREUQCSA-N 1 3 224.308 -0.333 20 0 BBADHO NC[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923293414 644329999 /nfs/dbraw/zinc/32/99/99/644329999.db2.gz VGYYTJYANHSGQM-WDEREUQCSA-N 1 3 224.308 -0.333 20 0 BBADHO COC[C@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923296158 644336286 /nfs/dbraw/zinc/33/62/86/644336286.db2.gz OCTPXKDWQHPTPW-NXEZZACHSA-N 1 3 204.314 -0.043 20 0 BBADHO COC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923296159 644334907 /nfs/dbraw/zinc/33/49/07/644334907.db2.gz OCTPXKDWQHPTPW-ZJUUUORDSA-N 1 3 204.314 -0.043 20 0 BBADHO COCCOC[C@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296369 644335908 /nfs/dbraw/zinc/33/59/08/644335908.db2.gz QZWANDVASPYBKR-NEPJUHHUSA-N 1 3 246.351 -0.273 20 0 BBADHO COCCOC[C@@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296371 644335177 /nfs/dbraw/zinc/33/51/77/644335177.db2.gz QZWANDVASPYBKR-NWDGAFQWSA-N 1 3 246.351 -0.273 20 0 BBADHO COCCOC[C@@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296373 644335595 /nfs/dbraw/zinc/33/55/95/644335595.db2.gz QZWANDVASPYBKR-RYUDHWBXSA-N 1 3 246.351 -0.273 20 0 BBADHO COCCOC[C@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296375 644334374 /nfs/dbraw/zinc/33/43/74/644334374.db2.gz QZWANDVASPYBKR-VXGBXAGGSA-N 1 3 246.351 -0.273 20 0 BBADHO COC[C@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296652 644334884 /nfs/dbraw/zinc/33/48/84/644334884.db2.gz VEDZJCLXWLPJLO-NXEZZACHSA-N 1 3 202.298 -0.289 20 0 BBADHO COC[C@@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296653 644336252 /nfs/dbraw/zinc/33/62/52/644336252.db2.gz VEDZJCLXWLPJLO-UWVGGRQHSA-N 1 3 202.298 -0.289 20 0 BBADHO COC[C@@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296654 644335900 /nfs/dbraw/zinc/33/59/00/644335900.db2.gz VEDZJCLXWLPJLO-VHSXEESVSA-N 1 3 202.298 -0.289 20 0 BBADHO COC[C@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296655 644335249 /nfs/dbraw/zinc/33/52/49/644335249.db2.gz VEDZJCLXWLPJLO-ZJUUUORDSA-N 1 3 202.298 -0.289 20 0 BBADHO COC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923300212 644325680 /nfs/dbraw/zinc/32/56/80/644325680.db2.gz OCTPXKDWQHPTPW-UWVGGRQHSA-N 1 3 204.314 -0.043 20 0 BBADHO COC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923300213 644326610 /nfs/dbraw/zinc/32/66/10/644326610.db2.gz OCTPXKDWQHPTPW-VHSXEESVSA-N 1 3 204.314 -0.043 20 0 BBADHO COCCOC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923300584 644338825 /nfs/dbraw/zinc/33/88/25/644338825.db2.gz WOFMMXPCEGRTCB-NEPJUHHUSA-N 1 3 248.367 -0.027 20 0 BBADHO COCCOC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923300585 644337638 /nfs/dbraw/zinc/33/76/38/644337638.db2.gz WOFMMXPCEGRTCB-NWDGAFQWSA-N 1 3 248.367 -0.027 20 0 BBADHO COCCOC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923300586 644337033 /nfs/dbraw/zinc/33/70/33/644337033.db2.gz WOFMMXPCEGRTCB-RYUDHWBXSA-N 1 3 248.367 -0.027 20 0 BBADHO COCCOC[C@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923300587 644338254 /nfs/dbraw/zinc/33/82/54/644338254.db2.gz WOFMMXPCEGRTCB-VXGBXAGGSA-N 1 3 248.367 -0.027 20 0 BBADHO CO[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306205 644341767 /nfs/dbraw/zinc/34/17/67/644341767.db2.gz RMGKLVZCUGUROM-NAKRPEOUSA-N 1 3 214.309 -0.052 20 0 BBADHO CO[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306206 644342432 /nfs/dbraw/zinc/34/24/32/644342432.db2.gz RMGKLVZCUGUROM-VLEAKVRGSA-N 1 3 214.309 -0.052 20 0 BBADHO COCCCN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308328 644338386 /nfs/dbraw/zinc/33/83/86/644338386.db2.gz CKFLWRMTEATGRR-GUBZILKMSA-N 1 3 202.298 -0.195 20 0 BBADHO C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCCO1 ZINC000923313391 644341321 /nfs/dbraw/zinc/34/13/21/644341321.db2.gz XUNRFYGKSBPUCF-NAKRPEOUSA-N 1 3 214.309 -0.052 20 0 BBADHO C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCCO1 ZINC000923313392 644341916 /nfs/dbraw/zinc/34/19/16/644341916.db2.gz XUNRFYGKSBPUCF-RCWTZXSCSA-N 1 3 214.309 -0.052 20 0 BBADHO CO[C@@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315531 644343052 /nfs/dbraw/zinc/34/30/52/644343052.db2.gz JCHJDMWRUSIDGW-JXUBOQSCSA-N 1 3 200.282 -0.442 20 0 BBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC000923321099 644349950 /nfs/dbraw/zinc/34/99/50/644349950.db2.gz KFAYAEJVSGGFFP-AVGNSLFASA-N 1 3 239.363 -0.135 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000923332506 644354978 /nfs/dbraw/zinc/35/49/78/644354978.db2.gz QSFWCANIGGQKFR-QJPTWQEYSA-N 1 3 238.335 -0.087 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000923332508 644355513 /nfs/dbraw/zinc/35/55/13/644355513.db2.gz QSFWCANIGGQKFR-SDDRHHMPSA-N 1 3 238.335 -0.087 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC000923332509 644354581 /nfs/dbraw/zinc/35/45/81/644354581.db2.gz QSFWCANIGGQKFR-SRVKXCTJSA-N 1 3 238.335 -0.087 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC000923332511 644355377 /nfs/dbraw/zinc/35/53/77/644355377.db2.gz QSFWCANIGGQKFR-TUAOUCFPSA-N 1 3 238.335 -0.087 20 0 BBADHO CN1CC(=O)N(CC[NH2+]CC2(N)CCC2)C1=O ZINC000923333147 644354009 /nfs/dbraw/zinc/35/40/09/644354009.db2.gz PDADMLCIABVCBB-UHFFFAOYSA-N 1 3 240.307 -0.649 20 0 BBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCO ZINC000923347194 644361397 /nfs/dbraw/zinc/36/13/97/644361397.db2.gz ZPKKELIQKHCXLC-JTQLQIEISA-N 1 3 229.324 -0.702 20 0 BBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCO ZINC000923347195 644360239 /nfs/dbraw/zinc/36/02/39/644360239.db2.gz ZPKKELIQKHCXLC-SNVBAGLBSA-N 1 3 229.324 -0.702 20 0 BBADHO COc1ccc(OCCNC(CN)C[NH3+])cc1 ZINC000923350794 644366642 /nfs/dbraw/zinc/36/66/42/644366642.db2.gz DLYDQTCURIECSZ-UHFFFAOYSA-N 1 3 239.319 -0.050 20 0 BBADHO COc1ccccc1OCCNC(CN)C[NH3+] ZINC000923350948 644368069 /nfs/dbraw/zinc/36/80/69/644368069.db2.gz COHIRMOFIYZYPD-UHFFFAOYSA-N 1 3 239.319 -0.050 20 0 BBADHO NCC(C[NH3+])NCc1noc2c1CCCC2 ZINC000923350992 644367019 /nfs/dbraw/zinc/36/70/19/644367019.db2.gz DNVYZBIUXKJJAU-UHFFFAOYSA-N 1 3 224.308 -0.071 20 0 BBADHO NCC(C[NH3+])NCc1cn(-c2ccccc2)nn1 ZINC000923351767 644367173 /nfs/dbraw/zinc/36/71/73/644367173.db2.gz MKUIIHRPTYLAJG-UHFFFAOYSA-N 1 3 246.318 -0.357 20 0 BBADHO CCc1noc(C)c1CNC(CN)C[NH3+] ZINC000923352512 644369953 /nfs/dbraw/zinc/36/99/53/644369953.db2.gz WRPCVMIMZQGWOC-UHFFFAOYSA-N 1 3 212.297 -0.079 20 0 BBADHO CN(CCNC(CN)C[NH3+])c1ccccc1 ZINC000923353861 644369643 /nfs/dbraw/zinc/36/96/43/644369643.db2.gz CZFYNEIXCFIYOK-UHFFFAOYSA-N 1 3 222.336 -0.002 20 0 BBADHO Cc1csc(CNC(CN)C[NH3+])n1 ZINC000923354001 644369292 /nfs/dbraw/zinc/36/92/92/644369292.db2.gz GSPMXGIDTHFOEN-UHFFFAOYSA-N 1 3 200.311 -0.173 20 0 BBADHO NCC(C[NH3+])NCc1ncn(-c2ccccc2)n1 ZINC000923354042 644370214 /nfs/dbraw/zinc/37/02/14/644370214.db2.gz IAKWOIQODGDOFR-UHFFFAOYSA-N 1 3 246.318 -0.357 20 0 BBADHO NCC(C[NH3+])NCc1ncnn1-c1ccccc1 ZINC000923354101 644368754 /nfs/dbraw/zinc/36/87/54/644368754.db2.gz IRKGKYPBFYUFSU-UHFFFAOYSA-N 1 3 246.318 -0.357 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000923354201 644369348 /nfs/dbraw/zinc/36/93/48/644369348.db2.gz AYMHDADIUUHZCU-NEPJUHHUSA-N 1 3 238.335 -0.085 20 0 BBADHO C[C@]1(C[NH3+])CCN(C[C@H](O)Cn2cccn2)C1 ZINC000923354204 644369775 /nfs/dbraw/zinc/36/97/75/644369775.db2.gz AYMHDADIUUHZCU-NWDGAFQWSA-N 1 3 238.335 -0.085 20 0 BBADHO C[C@@]1(C[NH3+])CCN(C[C@H](O)Cn2cccn2)C1 ZINC000923354207 644370405 /nfs/dbraw/zinc/37/04/05/644370405.db2.gz AYMHDADIUUHZCU-RYUDHWBXSA-N 1 3 238.335 -0.085 20 0 BBADHO C[C@]1(C[NH3+])CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000923354211 644368864 /nfs/dbraw/zinc/36/88/64/644368864.db2.gz AYMHDADIUUHZCU-VXGBXAGGSA-N 1 3 238.335 -0.085 20 0 BBADHO COc1cccc(OCCNC(CN)C[NH3+])c1 ZINC000923354373 644370081 /nfs/dbraw/zinc/37/00/81/644370081.db2.gz MIMMGMAIOOEDBJ-UHFFFAOYSA-N 1 3 239.319 -0.050 20 0 BBADHO COC(=O)c1cccc(CNC(CN)C[NH3+])c1 ZINC000923354454 644373783 /nfs/dbraw/zinc/37/37/83/644373783.db2.gz PIFVTOBCSIQDOB-UHFFFAOYSA-N 1 3 237.303 -0.151 20 0 BBADHO CCCCOC(=O)[C@@H](C)NC(CN)C[NH3+] ZINC000923354455 644372599 /nfs/dbraw/zinc/37/25/99/644372599.db2.gz PPBHGUCLBQPVTR-MRVPVSSYSA-N 1 3 217.313 -0.406 20 0 BBADHO CCCCOC(=O)[C@H](C)NC(CN)C[NH3+] ZINC000923354456 644371600 /nfs/dbraw/zinc/37/16/00/644371600.db2.gz PPBHGUCLBQPVTR-QMMMGPOBSA-N 1 3 217.313 -0.406 20 0 BBADHO COC(=O)c1ccc(CNC(CN)C[NH3+])s1 ZINC000923354483 644372472 /nfs/dbraw/zinc/37/24/72/644372472.db2.gz QBCPWTOBONJMLT-UHFFFAOYSA-N 1 3 243.332 -0.090 20 0 BBADHO COC(=O)c1ccc(CNC(CN)C[NH3+])cc1 ZINC000923354489 644372442 /nfs/dbraw/zinc/37/24/42/644372442.db2.gz QBORIEYHWUOCLE-UHFFFAOYSA-N 1 3 237.303 -0.151 20 0 BBADHO CCCCOC(=O)CNC(CN)C[NH3+] ZINC000923354493 644371754 /nfs/dbraw/zinc/37/17/54/644371754.db2.gz QGFDDMLTEAFVNV-UHFFFAOYSA-N 1 3 203.286 -0.795 20 0 BBADHO CCOc1ccc(CNC(CN)C[NH3+])nc1 ZINC000923354832 644373078 /nfs/dbraw/zinc/37/30/78/644373078.db2.gz WAUHEHUBWVQLRQ-UHFFFAOYSA-N 1 3 224.308 -0.144 20 0 BBADHO Cn1c2ccccc2nc1CNC(CN)C[NH3+] ZINC000923354870 644373062 /nfs/dbraw/zinc/37/30/62/644373062.db2.gz XTIPSNDTBLABRK-UHFFFAOYSA-N 1 3 233.319 -0.051 20 0 BBADHO CCC[C@@H](NC(CN)C[NH3+])C(=O)OCC ZINC000923354889 644374158 /nfs/dbraw/zinc/37/41/58/644374158.db2.gz ZARWBJYTTKMMPS-SECBINFHSA-N 1 3 217.313 -0.406 20 0 BBADHO CCC[C@H](NC(CN)C[NH3+])C(=O)OCC ZINC000923354890 644373943 /nfs/dbraw/zinc/37/39/43/644373943.db2.gz ZARWBJYTTKMMPS-VIFPVBQESA-N 1 3 217.313 -0.406 20 0 BBADHO CC(C)CC[C@H](O)C[NH2+]C(CN)CN ZINC000923355610 644371069 /nfs/dbraw/zinc/37/10/69/644371069.db2.gz BJKFNFPWHGXLPS-JTQLQIEISA-N 1 3 203.330 -0.341 20 0 BBADHO CC(C)CC[C@@H](O)C[NH2+]C(CN)CN ZINC000923355611 644373224 /nfs/dbraw/zinc/37/32/24/644373224.db2.gz BJKFNFPWHGXLPS-SNVBAGLBSA-N 1 3 203.330 -0.341 20 0 BBADHO NCC(CN)[NH2+]CCCOC(F)(F)F ZINC000923355961 644372358 /nfs/dbraw/zinc/37/23/58/644372358.db2.gz HHBCISHGKLTVAX-UHFFFAOYSA-N 1 3 215.219 -0.212 20 0 BBADHO CC1(C)CO[C@@H](C[NH2+]C(CN)CN)C1 ZINC000923356304 644373477 /nfs/dbraw/zinc/37/34/77/644373477.db2.gz KHJODDJFDWNWBC-SECBINFHSA-N 1 3 201.314 -0.323 20 0 BBADHO CC1(C)CO[C@H](C[NH2+]C(CN)CN)C1 ZINC000923356308 644371950 /nfs/dbraw/zinc/37/19/50/644371950.db2.gz KHJODDJFDWNWBC-VIFPVBQESA-N 1 3 201.314 -0.323 20 0 BBADHO COc1cc(CNC(CN)C[NH3+])sn1 ZINC000923356652 644375692 /nfs/dbraw/zinc/37/56/92/644375692.db2.gz OKNAKQAXBAENDS-UHFFFAOYSA-N 1 3 216.310 -0.473 20 0 BBADHO CCc1onc(C)c1CNC(CN)C[NH3+] ZINC000923356657 644376180 /nfs/dbraw/zinc/37/61/80/644376180.db2.gz ONYJZAOJWSGBKP-UHFFFAOYSA-N 1 3 212.297 -0.079 20 0 BBADHO NCC(C[NH3+])NCc1nc2c(o1)CCCC2 ZINC000923357357 644364418 /nfs/dbraw/zinc/36/44/18/644364418.db2.gz YBCBYNOJSIBHQM-UHFFFAOYSA-N 1 3 224.308 -0.071 20 0 BBADHO NCC(C[NH3+])NCc1cc(CO)ccc1F ZINC000923359062 644369800 /nfs/dbraw/zinc/36/98/00/644369800.db2.gz KRYFEMLHYNWINL-UHFFFAOYSA-N 1 3 227.283 -0.306 20 0 BBADHO COc1ccnc(CNC(CN)C[NH3+])c1OC ZINC000923359169 644372431 /nfs/dbraw/zinc/37/24/31/644372431.db2.gz NGCUZQUTEAQZKL-UHFFFAOYSA-N 1 3 240.307 -0.526 20 0 BBADHO COC(=O)c1cc(CNC(CN)C[NH3+])cs1 ZINC000923359516 644384639 /nfs/dbraw/zinc/38/46/39/644384639.db2.gz SQFMAXWETIBXFW-UHFFFAOYSA-N 1 3 243.332 -0.090 20 0 BBADHO Cn1nc(CNC(CN)C[NH3+])cc1Cl ZINC000923359851 644384123 /nfs/dbraw/zinc/38/41/23/644384123.db2.gz UXIIGVQDDAFRLX-UHFFFAOYSA-N 1 3 217.704 -0.551 20 0 BBADHO COC(=O)[C@H](NC(CN)C[NH3+])c1ccsc1 ZINC000923359876 644382772 /nfs/dbraw/zinc/38/27/72/644382772.db2.gz VIDCHHZRUGVZSW-SECBINFHSA-N 1 3 243.332 -0.162 20 0 BBADHO COC(=O)[C@@H](NC(CN)C[NH3+])c1ccsc1 ZINC000923359877 644384493 /nfs/dbraw/zinc/38/44/93/644384493.db2.gz VIDCHHZRUGVZSW-VIFPVBQESA-N 1 3 243.332 -0.162 20 0 BBADHO COc1ccc(CNC(CN)C[NH3+])cn1 ZINC000923359905 644383381 /nfs/dbraw/zinc/38/33/81/644383381.db2.gz WMYVWDZRXOTUBL-UHFFFAOYSA-N 1 3 210.281 -0.534 20 0 BBADHO COC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923367827 644377471 /nfs/dbraw/zinc/37/74/71/644377471.db2.gz JGMHGRDYOXQZGG-BDAKNGLRSA-N 1 3 204.314 -0.043 20 0 BBADHO COC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923367828 644379470 /nfs/dbraw/zinc/37/94/70/644379470.db2.gz JGMHGRDYOXQZGG-RKDXNWHRSA-N 1 3 204.314 -0.043 20 0 BBADHO COC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923369259 644380743 /nfs/dbraw/zinc/38/07/43/644380743.db2.gz JGMHGRDYOXQZGG-DTWKUNHWSA-N 1 3 204.314 -0.043 20 0 BBADHO COC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923369260 644382109 /nfs/dbraw/zinc/38/21/09/644382109.db2.gz JGMHGRDYOXQZGG-IUCAKERBSA-N 1 3 204.314 -0.043 20 0 BBADHO COC(=O)[C@H](C)CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369645 644380554 /nfs/dbraw/zinc/38/05/54/644380554.db2.gz MOYPYCXTWWABSI-KATARQTJSA-N 1 3 230.308 -0.422 20 0 BBADHO COC(=O)[C@@H](C)CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369646 644380077 /nfs/dbraw/zinc/38/00/77/644380077.db2.gz MOYPYCXTWWABSI-XKNYDFJKSA-N 1 3 230.308 -0.422 20 0 BBADHO COCCOC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923371573 644383183 /nfs/dbraw/zinc/38/31/83/644383183.db2.gz YUXAZMQPQHMYLQ-GHMZBOCLSA-N 1 3 248.367 -0.027 20 0 BBADHO COCCOC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923371574 644382867 /nfs/dbraw/zinc/38/28/67/644382867.db2.gz YUXAZMQPQHMYLQ-MNOVXSKESA-N 1 3 248.367 -0.027 20 0 BBADHO COCCOC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923371575 644384543 /nfs/dbraw/zinc/38/45/43/644384543.db2.gz YUXAZMQPQHMYLQ-QWRGUYRKSA-N 1 3 248.367 -0.027 20 0 BBADHO COCCOC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923371576 644385069 /nfs/dbraw/zinc/38/50/69/644385069.db2.gz YUXAZMQPQHMYLQ-WDEREUQCSA-N 1 3 248.367 -0.027 20 0 BBADHO C[C@@H](Cn1cccn1)N[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923375598 644389781 /nfs/dbraw/zinc/38/97/81/644389781.db2.gz BPJASAUCOVTGPN-NAKRPEOUSA-N 1 3 224.308 -0.288 20 0 BBADHO C[C@H](Cn1cccn1)N[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923375599 644389218 /nfs/dbraw/zinc/38/92/18/644389218.db2.gz BPJASAUCOVTGPN-RCWTZXSCSA-N 1 3 224.308 -0.288 20 0 BBADHO COC[C@@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923376384 644392571 /nfs/dbraw/zinc/39/25/71/644392571.db2.gz XCAJHMOZGXTPEU-AXFHLTTASA-N 1 3 216.325 -0.090 20 0 BBADHO COC[C@@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923376385 644391171 /nfs/dbraw/zinc/39/11/71/644391171.db2.gz XCAJHMOZGXTPEU-MXWKQRLJSA-N 1 3 216.325 -0.090 20 0 BBADHO C[C@H](N[C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@H]1CCCO1 ZINC000923377075 644391034 /nfs/dbraw/zinc/39/10/34/644391034.db2.gz ITJNJLNRGMLZTI-AJBSGBCOSA-N 1 3 214.309 -0.006 20 0 BBADHO C[C@@H](N[C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@@H]1CCCO1 ZINC000923377077 644392218 /nfs/dbraw/zinc/39/22/18/644392218.db2.gz ITJNJLNRGMLZTI-NMUGVGKYSA-N 1 3 214.309 -0.006 20 0 BBADHO C[C@@H](N[C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@H]1CCCO1 ZINC000923377080 644392342 /nfs/dbraw/zinc/39/23/42/644392342.db2.gz ITJNJLNRGMLZTI-ORMBPQIASA-N 1 3 214.309 -0.006 20 0 BBADHO C[C@H](N[C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@@H]1CCCO1 ZINC000923378137 644391807 /nfs/dbraw/zinc/39/18/07/644391807.db2.gz ITJNJLNRGMLZTI-QHZLYTNSSA-N 1 3 214.309 -0.006 20 0 BBADHO CC(=O)NCCN(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923384684 644397255 /nfs/dbraw/zinc/39/72/55/644397255.db2.gz KVSSKFHKISBPRO-LLVKDONJSA-N 1 3 241.335 -0.567 20 0 BBADHO CC(=O)NCCN(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923384685 644396134 /nfs/dbraw/zinc/39/61/34/644396134.db2.gz KVSSKFHKISBPRO-NSHDSACASA-N 1 3 241.335 -0.567 20 0 BBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(CCO)CC2)C1 ZINC000923385383 644399577 /nfs/dbraw/zinc/39/95/77/644399577.db2.gz AMWUKQZLYZEXAJ-SRVKXCTJSA-N 1 3 228.336 -0.069 20 0 BBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](O)C2)C1 ZINC000923389318 644401839 /nfs/dbraw/zinc/40/18/39/644401839.db2.gz VYJQUWAZCGVYTA-JXUBOQSCSA-N 1 3 200.282 -0.706 20 0 BBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](O)C2)C1 ZINC000923389333 644401737 /nfs/dbraw/zinc/40/17/37/644401737.db2.gz VYJQUWAZCGVYTA-XKNYDFJKSA-N 1 3 200.282 -0.706 20 0 BBADHO N[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1F ZINC000923396438 644402420 /nfs/dbraw/zinc/40/24/20/644402420.db2.gz YTMXLFSCCFNNRZ-MBXMOIHESA-N 1 3 217.288 -0.792 20 0 BBADHO OCC[NH2+][C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000923409479 644411330 /nfs/dbraw/zinc/41/13/30/644411330.db2.gz RKNAUSQKHCUOKU-NEPJUHHUSA-N 1 3 243.351 -0.979 20 0 BBADHO OCC[NH2+][C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000923409486 644411638 /nfs/dbraw/zinc/41/16/38/644411638.db2.gz RKNAUSQKHCUOKU-NWDGAFQWSA-N 1 3 243.351 -0.979 20 0 BBADHO OCC[NH2+][C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000923409488 644412680 /nfs/dbraw/zinc/41/26/80/644412680.db2.gz RKNAUSQKHCUOKU-RYUDHWBXSA-N 1 3 243.351 -0.979 20 0 BBADHO OCC[NH2+][C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000923409491 644412528 /nfs/dbraw/zinc/41/25/28/644412528.db2.gz RKNAUSQKHCUOKU-VXGBXAGGSA-N 1 3 243.351 -0.979 20 0 BBADHO CC1(C)C[C@H](O)CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413742 644417022 /nfs/dbraw/zinc/41/70/22/644417022.db2.gz HRTWPQWXGIJAEG-NAKRPEOUSA-N 1 3 228.336 -0.070 20 0 BBADHO CC1(C)C[C@@H](O)CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413743 644415944 /nfs/dbraw/zinc/41/59/44/644415944.db2.gz HRTWPQWXGIJAEG-VLEAKVRGSA-N 1 3 228.336 -0.070 20 0 BBADHO COCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923419746 644425622 /nfs/dbraw/zinc/42/56/22/644425622.db2.gz CCJOYRPEFWBYEA-GMTAPVOTSA-N 1 3 246.351 -0.274 20 0 BBADHO COCCOC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419746 644425619 /nfs/dbraw/zinc/42/56/19/644425619.db2.gz CCJOYRPEFWBYEA-GMTAPVOTSA-N 1 3 246.351 -0.274 20 0 BBADHO COCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923419747 644424135 /nfs/dbraw/zinc/42/41/35/644424135.db2.gz CCJOYRPEFWBYEA-MXWKQRLJSA-N 1 3 246.351 -0.274 20 0 BBADHO COCCOC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419747 644424132 /nfs/dbraw/zinc/42/41/32/644424132.db2.gz CCJOYRPEFWBYEA-MXWKQRLJSA-N 1 3 246.351 -0.274 20 0 BBADHO COCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923419748 644424704 /nfs/dbraw/zinc/42/47/04/644424704.db2.gz CCJOYRPEFWBYEA-OUAUKWLOSA-N 1 3 246.351 -0.274 20 0 BBADHO COCCOC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419748 644424701 /nfs/dbraw/zinc/42/47/01/644424701.db2.gz CCJOYRPEFWBYEA-OUAUKWLOSA-N 1 3 246.351 -0.274 20 0 BBADHO COCCOC[C@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923419749 644423939 /nfs/dbraw/zinc/42/39/39/644423939.db2.gz CCJOYRPEFWBYEA-VWYCJHECSA-N 1 3 246.351 -0.274 20 0 BBADHO COCCOC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419749 644423935 /nfs/dbraw/zinc/42/39/35/644423935.db2.gz CCJOYRPEFWBYEA-VWYCJHECSA-N 1 3 246.351 -0.274 20 0 BBADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000923421258 644423827 /nfs/dbraw/zinc/42/38/27/644423827.db2.gz MOXICJKRRNUTFU-AXFHLTTASA-N 1 3 238.335 -0.041 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)Cn1cccn1 ZINC000923421258 644423822 /nfs/dbraw/zinc/42/38/22/644423822.db2.gz MOXICJKRRNUTFU-AXFHLTTASA-N 1 3 238.335 -0.041 20 0 BBADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000923421261 644425063 /nfs/dbraw/zinc/42/50/63/644425063.db2.gz MOXICJKRRNUTFU-GMTAPVOTSA-N 1 3 238.335 -0.041 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H](O)Cn1cccn1 ZINC000923421261 644425057 /nfs/dbraw/zinc/42/50/57/644425057.db2.gz MOXICJKRRNUTFU-GMTAPVOTSA-N 1 3 238.335 -0.041 20 0 BBADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000923421264 644424549 /nfs/dbraw/zinc/42/45/49/644424549.db2.gz MOXICJKRRNUTFU-HBNTYKKESA-N 1 3 238.335 -0.041 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H](O)Cn1cccn1 ZINC000923421264 644424548 /nfs/dbraw/zinc/42/45/48/644424548.db2.gz MOXICJKRRNUTFU-HBNTYKKESA-N 1 3 238.335 -0.041 20 0 BBADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000923421266 644424922 /nfs/dbraw/zinc/42/49/22/644424922.db2.gz MOXICJKRRNUTFU-MXWKQRLJSA-N 1 3 238.335 -0.041 20 0 BBADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)Cn1cccn1 ZINC000923421266 644424920 /nfs/dbraw/zinc/42/49/20/644424920.db2.gz MOXICJKRRNUTFU-MXWKQRLJSA-N 1 3 238.335 -0.041 20 0 BBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923421651 644425082 /nfs/dbraw/zinc/42/50/82/644425082.db2.gz NXINSIYJQVMMPS-CIUDSAMLSA-N 1 3 202.298 -0.291 20 0 BBADHO COC[C@@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923421651 644425076 /nfs/dbraw/zinc/42/50/76/644425076.db2.gz NXINSIYJQVMMPS-CIUDSAMLSA-N 1 3 202.298 -0.291 20 0 BBADHO COC[C@@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923421696 644417103 /nfs/dbraw/zinc/41/71/03/644417103.db2.gz NXINSIYJQVMMPS-DJLDLDEBSA-N 1 3 202.298 -0.291 20 0 BBADHO COC[C@@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923421696 644417099 /nfs/dbraw/zinc/41/70/99/644417099.db2.gz NXINSIYJQVMMPS-DJLDLDEBSA-N 1 3 202.298 -0.291 20 0 BBADHO COC[C@@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923421700 644416403 /nfs/dbraw/zinc/41/64/03/644416403.db2.gz NXINSIYJQVMMPS-XHNCKOQMSA-N 1 3 202.298 -0.291 20 0 BBADHO COC[C@@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923421700 644416401 /nfs/dbraw/zinc/41/64/01/644416401.db2.gz NXINSIYJQVMMPS-XHNCKOQMSA-N 1 3 202.298 -0.291 20 0 BBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923421702 644417120 /nfs/dbraw/zinc/41/71/20/644417120.db2.gz NXINSIYJQVMMPS-YIZRAAEISA-N 1 3 202.298 -0.291 20 0 BBADHO COC[C@@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923421702 644417115 /nfs/dbraw/zinc/41/71/15/644417115.db2.gz NXINSIYJQVMMPS-YIZRAAEISA-N 1 3 202.298 -0.291 20 0 BBADHO CN1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1(C)C ZINC000923424561 644418928 /nfs/dbraw/zinc/41/89/28/644418928.db2.gz TWTVLWGQKCQIDS-DCAQKATOSA-N 1 3 227.352 -0.137 20 0 BBADHO C[C@@H]1COCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923433770 644426447 /nfs/dbraw/zinc/42/64/47/644426447.db2.gz XEXKMVAJSPFZEW-NAKRPEOUSA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@H]1COCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923433771 644427057 /nfs/dbraw/zinc/42/70/57/644427057.db2.gz XEXKMVAJSPFZEW-RCWTZXSCSA-N 1 3 214.309 -0.195 20 0 BBADHO C[C@H](C(N)=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452820 644442288 /nfs/dbraw/zinc/44/22/88/644442288.db2.gz XSUWPFJCCJVKFA-NXEZZACHSA-N 1 3 241.335 -0.310 20 0 BBADHO C[C@@H](C(N)=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452821 644441770 /nfs/dbraw/zinc/44/17/70/644441770.db2.gz XSUWPFJCCJVKFA-UWVGGRQHSA-N 1 3 241.335 -0.310 20 0 BBADHO C[C@@H](C(N)=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452996 644441853 /nfs/dbraw/zinc/44/18/53/644441853.db2.gz XSUWPFJCCJVKFA-VHSXEESVSA-N 1 3 241.335 -0.310 20 0 BBADHO C[C@H](C(N)=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452998 644442538 /nfs/dbraw/zinc/44/25/38/644442538.db2.gz XSUWPFJCCJVKFA-ZJUUUORDSA-N 1 3 241.335 -0.310 20 0 BBADHO C([C@H]1CNCCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455572 644435447 /nfs/dbraw/zinc/43/54/47/644435447.db2.gz YIBGUYJWIHZUHJ-QJPTWQEYSA-N 1 3 225.336 -0.341 20 0 BBADHO CCN(C)C(=O)CCN1CCNCC[NH2+]CC1 ZINC000923459338 644439106 /nfs/dbraw/zinc/43/91/06/644439106.db2.gz FYIAMIMEXASEAO-UHFFFAOYSA-N 1 3 242.367 -0.650 20 0 BBADHO COCCCN1CCNCC[NH2+]CC1 ZINC000923459735 644435717 /nfs/dbraw/zinc/43/57/17/644435717.db2.gz DUUAURVWWAGKFR-UHFFFAOYSA-N 1 3 201.314 -0.482 20 0 BBADHO COCCC[NH+]1CCNCCNCC1 ZINC000923459735 644435715 /nfs/dbraw/zinc/43/57/15/644435715.db2.gz DUUAURVWWAGKFR-UHFFFAOYSA-N 1 3 201.314 -0.482 20 0 BBADHO CCOCC[C@@H](O)CN1CCNCC[NH2+]CC1 ZINC000923459759 644435384 /nfs/dbraw/zinc/43/53/84/644435384.db2.gz FQIYIWKVXBPQOA-GFCCVEGCSA-N 1 3 245.367 -0.731 20 0 BBADHO CCOCC[C@H](O)CN1CCNCC[NH2+]CC1 ZINC000923459760 644435982 /nfs/dbraw/zinc/43/59/82/644435982.db2.gz FQIYIWKVXBPQOA-LBPRGKRZSA-N 1 3 245.367 -0.731 20 0 BBADHO CC[C@H](O)C[NH+]1CCNCCNCC1 ZINC000923459938 644438885 /nfs/dbraw/zinc/43/88/85/644438885.db2.gz IBGXXSHVNGLTTI-JTQLQIEISA-N 1 3 201.314 -0.748 20 0 BBADHO CC[C@H](O)CN1CCNCC[NH2+]CC1 ZINC000923459938 644438878 /nfs/dbraw/zinc/43/88/78/644438878.db2.gz IBGXXSHVNGLTTI-JTQLQIEISA-N 1 3 201.314 -0.748 20 0 BBADHO COC[C@H](C)N1CCNCC[NH2+]CC1 ZINC000923460027 644437288 /nfs/dbraw/zinc/43/72/88/644437288.db2.gz KVCJAJJTEATLPE-JTQLQIEISA-N 1 3 201.314 -0.484 20 0 BBADHO COC[C@@H](C)N1CCNCC[NH2+]CC1 ZINC000923460029 644437187 /nfs/dbraw/zinc/43/71/87/644437187.db2.gz KVCJAJJTEATLPE-SNVBAGLBSA-N 1 3 201.314 -0.484 20 0 BBADHO Cc1nc([C@@H](C)N2CCNCC[NH2+]CC2)n[nH]1 ZINC000923460102 644443005 /nfs/dbraw/zinc/44/30/05/644443005.db2.gz PYDUTIHMDBMESC-SECBINFHSA-N 1 3 238.339 -0.331 20 0 BBADHO Cc1nc([C@H](C)N2CCNCC[NH2+]CC2)n[nH]1 ZINC000923460103 644444049 /nfs/dbraw/zinc/44/40/49/644444049.db2.gz PYDUTIHMDBMESC-VIFPVBQESA-N 1 3 238.339 -0.331 20 0 BBADHO COC(=O)CCCCN1CCNCC[NH2+]CC1 ZINC000923460492 644446555 /nfs/dbraw/zinc/44/65/55/644446555.db2.gz PGTWGVTUPWRLHB-UHFFFAOYSA-N 1 3 243.351 -0.176 20 0 BBADHO CO[C@H]1C[C@@H](CN2CCNCC[NH2+]CC2)C1 ZINC000923460830 644446223 /nfs/dbraw/zinc/44/62/23/644446223.db2.gz RUNHSXGATGCGRQ-TXEJJXNPSA-N 1 3 227.352 -0.094 20 0 BBADHO COC1CC(CN2CCNCC[NH2+]CC2)C1 ZINC000923460831 644447135 /nfs/dbraw/zinc/44/71/35/644447135.db2.gz RUNHSXGATGCGRQ-UHFFFAOYSA-N 1 3 227.352 -0.094 20 0 BBADHO CCOCCC[NH+]1CCNCCNCC1 ZINC000923461076 644445622 /nfs/dbraw/zinc/44/56/22/644445622.db2.gz LIAQIPPTAVVSKY-UHFFFAOYSA-N 1 3 215.341 -0.092 20 0 BBADHO CCOCCCN1CCNCC[NH2+]CC1 ZINC000923461076 644445616 /nfs/dbraw/zinc/44/56/16/644445616.db2.gz LIAQIPPTAVVSKY-UHFFFAOYSA-N 1 3 215.341 -0.092 20 0 BBADHO CSC[C@@H](O)CN1CCNCC[NH2+]CC1 ZINC000923461247 644446166 /nfs/dbraw/zinc/44/61/66/644446166.db2.gz UYQXMQVGEWCJAX-JTQLQIEISA-N 1 3 233.381 -0.795 20 0 BBADHO CSC[C@H](O)CN1CCNCC[NH2+]CC1 ZINC000923461265 644445434 /nfs/dbraw/zinc/44/54/34/644445434.db2.gz UYQXMQVGEWCJAX-SNVBAGLBSA-N 1 3 233.381 -0.795 20 0 BBADHO COCCCCN1CCNCC[NH2+]CC1 ZINC000923461833 644445315 /nfs/dbraw/zinc/44/53/15/644445315.db2.gz XJLFQKRRIGQZCJ-UHFFFAOYSA-N 1 3 215.341 -0.092 20 0 BBADHO COCCCC[NH+]1CCNCCNCC1 ZINC000923461833 644445311 /nfs/dbraw/zinc/44/53/11/644445311.db2.gz XJLFQKRRIGQZCJ-UHFFFAOYSA-N 1 3 215.341 -0.092 20 0 BBADHO COCC[C@@H](C)N1CCNCC[NH2+]CC1 ZINC000923462592 644446604 /nfs/dbraw/zinc/44/66/04/644446604.db2.gz LSHIOBJFCIJVJV-LLVKDONJSA-N 1 3 215.341 -0.094 20 0 BBADHO COCC[C@H](C)N1CCNCC[NH2+]CC1 ZINC000923462594 644445382 /nfs/dbraw/zinc/44/53/82/644445382.db2.gz LSHIOBJFCIJVJV-NSHDSACASA-N 1 3 215.341 -0.094 20 0 BBADHO CC[C@H](O)C[N@H+]1CCC[C@@](N)(CO)C1 ZINC000923471359 644449522 /nfs/dbraw/zinc/44/95/22/644449522.db2.gz LWBUEOUJBCQCRN-UWVGGRQHSA-N 1 3 202.298 -0.457 20 0 BBADHO CC[C@H](O)C[N@@H+]1CCC[C@@](N)(CO)C1 ZINC000923471359 644449521 /nfs/dbraw/zinc/44/95/21/644449521.db2.gz LWBUEOUJBCQCRN-UWVGGRQHSA-N 1 3 202.298 -0.457 20 0 BBADHO CC[C@H](O)C[N@H+]1CCC[C@](N)(CO)C1 ZINC000923471364 644448919 /nfs/dbraw/zinc/44/89/19/644448919.db2.gz LWBUEOUJBCQCRN-VHSXEESVSA-N 1 3 202.298 -0.457 20 0 BBADHO CC[C@H](O)C[N@@H+]1CCC[C@](N)(CO)C1 ZINC000923471364 644448916 /nfs/dbraw/zinc/44/89/16/644448916.db2.gz LWBUEOUJBCQCRN-VHSXEESVSA-N 1 3 202.298 -0.457 20 0 BBADHO CCS(=O)(=O)NCCN1CC[C@H](CC[NH3+])C1 ZINC000923481014 644458897 /nfs/dbraw/zinc/45/88/97/644458897.db2.gz FNOUYXVQYVJBHG-JTQLQIEISA-N 1 3 249.380 -0.404 20 0 BBADHO CCS(=O)(=O)NCCN1CC[C@@H](CC[NH3+])C1 ZINC000923481015 644459686 /nfs/dbraw/zinc/45/96/86/644459686.db2.gz FNOUYXVQYVJBHG-SNVBAGLBSA-N 1 3 249.380 -0.404 20 0 BBADHO CCOCCNC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923483074 644459382 /nfs/dbraw/zinc/45/93/82/644459382.db2.gz XBXNSSZHGCUESZ-LLVKDONJSA-N 1 3 243.351 -0.190 20 0 BBADHO CCOCCNC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923483075 644460295 /nfs/dbraw/zinc/46/02/95/644460295.db2.gz XBXNSSZHGCUESZ-NSHDSACASA-N 1 3 243.351 -0.190 20 0 BBADHO CS(=O)(=O)NCCN1CC[C@@H](CC[NH3+])C1 ZINC000923483235 644459408 /nfs/dbraw/zinc/45/94/08/644459408.db2.gz XVBBSBURSAIHSS-SECBINFHSA-N 1 3 235.353 -0.794 20 0 BBADHO CS(=O)(=O)NCCN1CC[C@H](CC[NH3+])C1 ZINC000923483238 644459249 /nfs/dbraw/zinc/45/92/49/644459249.db2.gz XVBBSBURSAIHSS-VIFPVBQESA-N 1 3 235.353 -0.794 20 0 BBADHO C[C@@H]1CN(CCNS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923499236 644472336 /nfs/dbraw/zinc/47/23/36/644472336.db2.gz RQTKBBPEFNZAAC-NXEZZACHSA-N 1 3 249.380 -0.548 20 0 BBADHO C[C@H]1CN(CCNS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923499238 644472622 /nfs/dbraw/zinc/47/26/22/644472622.db2.gz RQTKBBPEFNZAAC-UWVGGRQHSA-N 1 3 249.380 -0.548 20 0 BBADHO C[C@H]1CN(CCNS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923499239 644474072 /nfs/dbraw/zinc/47/40/72/644474072.db2.gz RQTKBBPEFNZAAC-VHSXEESVSA-N 1 3 249.380 -0.548 20 0 BBADHO C[C@@H]1CN(CCNS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923499241 644472356 /nfs/dbraw/zinc/47/23/56/644472356.db2.gz RQTKBBPEFNZAAC-ZJUUUORDSA-N 1 3 249.380 -0.548 20 0 BBADHO CCOC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516210 644479527 /nfs/dbraw/zinc/47/95/27/644479527.db2.gz VDPAXIBIBJRECQ-QJPTWQEYSA-N 1 3 228.336 -0.075 20 0 BBADHO CCOC[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516211 644481476 /nfs/dbraw/zinc/48/14/76/644481476.db2.gz VDPAXIBIBJRECQ-TUAOUCFPSA-N 1 3 228.336 -0.075 20 0 BBADHO COC[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516216 644480939 /nfs/dbraw/zinc/48/09/39/644480939.db2.gz VGSWOWXCODYHAU-AXFHLTTASA-N 1 3 214.309 -0.465 20 0 BBADHO COC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516217 644479960 /nfs/dbraw/zinc/47/99/60/644479960.db2.gz VGSWOWXCODYHAU-HBNTYKKESA-N 1 3 214.309 -0.465 20 0 BBADHO O=C1NCC[C@H]1N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518269 644483545 /nfs/dbraw/zinc/48/35/45/644483545.db2.gz CCHNRVPESVIXCC-IVZWLZJFSA-N 1 3 209.293 -0.584 20 0 BBADHO NC(=O)NC(=O)CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520670 644482562 /nfs/dbraw/zinc/48/25/62/644482562.db2.gz SLYHLKAYVPRJKL-DTWKUNHWSA-N 1 3 240.307 -0.887 20 0 BBADHO CN1CC[C@@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923521535 644482186 /nfs/dbraw/zinc/48/21/86/644482186.db2.gz NXLGWLZYLKVZBE-HBNTYKKESA-N 1 3 223.320 -0.242 20 0 BBADHO C([C@H]1CNCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522298 644486587 /nfs/dbraw/zinc/48/65/87/644486587.db2.gz RWUCXNHQPVVLDI-QJPTWQEYSA-N 1 3 225.336 -0.484 20 0 BBADHO C([C@@H]1CNCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522299 644487360 /nfs/dbraw/zinc/48/73/60/644487360.db2.gz RWUCXNHQPVVLDI-TUAOUCFPSA-N 1 3 225.336 -0.484 20 0 BBADHO CCO[C@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923531784 644489529 /nfs/dbraw/zinc/48/95/29/644489529.db2.gz WBHFFZMJYDIIAU-NAKRPEOUSA-N 1 3 214.309 -0.052 20 0 BBADHO C[NH2+]C[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923563876 644505169 /nfs/dbraw/zinc/50/51/69/644505169.db2.gz QOTVMPJNKSMDLM-SECBINFHSA-N 1 3 247.364 -0.781 20 0 BBADHO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923563877 644504122 /nfs/dbraw/zinc/50/41/22/644504122.db2.gz QOTVMPJNKSMDLM-VIFPVBQESA-N 1 3 247.364 -0.781 20 0 BBADHO O=S(=O)(NC[C@H]1CCCC[NH2+]1)C1CNC1 ZINC000923565035 644504342 /nfs/dbraw/zinc/50/43/42/644504342.db2.gz DRKJGVBZWXFWMB-MRVPVSSYSA-N 1 3 233.337 -0.980 20 0 BBADHO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)C1CNC1 ZINC000923565036 644504992 /nfs/dbraw/zinc/50/49/92/644504992.db2.gz DRKJGVBZWXFWMB-QMMMGPOBSA-N 1 3 233.337 -0.980 20 0 BBADHO C[C@@H](NS(=O)(=O)C1CNC1)[C@H]1CCC[NH2+]C1 ZINC000923565730 644504519 /nfs/dbraw/zinc/50/45/19/644504519.db2.gz JQZJGIJVMBCBCC-BDAKNGLRSA-N 1 3 247.364 -0.734 20 0 BBADHO C[C@H](NS(=O)(=O)C1CNC1)[C@@H]1CCC[NH2+]C1 ZINC000923565735 644505144 /nfs/dbraw/zinc/50/51/44/644505144.db2.gz JQZJGIJVMBCBCC-DTWKUNHWSA-N 1 3 247.364 -0.734 20 0 BBADHO C[C@H](NS(=O)(=O)C1CNC1)[C@H]1CCC[NH2+]C1 ZINC000923565739 644503938 /nfs/dbraw/zinc/50/39/38/644503938.db2.gz JQZJGIJVMBCBCC-IUCAKERBSA-N 1 3 247.364 -0.734 20 0 BBADHO C[C@@H](NS(=O)(=O)C1CNC1)[C@@H]1CCC[NH2+]C1 ZINC000923565742 644505140 /nfs/dbraw/zinc/50/51/40/644505140.db2.gz JQZJGIJVMBCBCC-RKDXNWHRSA-N 1 3 247.364 -0.734 20 0 BBADHO [NH3+]C[C@H]1CCCCN1S(=O)(=O)C1CNC1 ZINC000923567720 644503402 /nfs/dbraw/zinc/50/34/02/644503402.db2.gz UCOYNSOSADKMDJ-MRVPVSSYSA-N 1 3 233.337 -0.899 20 0 BBADHO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)C1CNC1 ZINC000923567721 644503070 /nfs/dbraw/zinc/50/30/70/644503070.db2.gz UCOYNSOSADKMDJ-QMMMGPOBSA-N 1 3 233.337 -0.899 20 0 BBADHO CC(C)C[C@H](C[NH3+])NS(=O)(=O)C1CNC1 ZINC000923567786 644511041 /nfs/dbraw/zinc/51/10/41/644511041.db2.gz DQELSUQPFXSEBN-MRVPVSSYSA-N 1 3 235.353 -0.749 20 0 BBADHO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)C1CNC1 ZINC000923567787 644511112 /nfs/dbraw/zinc/51/11/12/644511112.db2.gz DQELSUQPFXSEBN-QMMMGPOBSA-N 1 3 235.353 -0.749 20 0 BBADHO C[NH2+]CC1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923568483 712341172 /nfs/dbraw/zinc/34/11/72/712341172.db2.gz FNGLHSWXXDORGL-UHFFFAOYSA-N 1 3 247.364 -0.781 20 0 BBADHO C[C@@H]([NH3+])C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923570063 644506972 /nfs/dbraw/zinc/50/69/72/644506972.db2.gz HKMMIVLVMNFYIY-MRVPVSSYSA-N 1 3 247.364 -0.653 20 0 BBADHO C[C@H]([NH3+])C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923570064 644506918 /nfs/dbraw/zinc/50/69/18/644506918.db2.gz HKMMIVLVMNFYIY-QMMMGPOBSA-N 1 3 247.364 -0.653 20 0 BBADHO CC(C)[NH2+]CCCNS(=O)(=O)C1CNC1 ZINC000923571258 644508411 /nfs/dbraw/zinc/50/84/11/644508411.db2.gz QCHQVUOZWDZZKA-UHFFFAOYSA-N 1 3 235.353 -0.734 20 0 BBADHO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)C1CNC1 ZINC000923571747 644508162 /nfs/dbraw/zinc/50/81/62/644508162.db2.gz ZQGAGGVZDJKBNM-SECBINFHSA-N 1 3 247.364 -0.638 20 0 BBADHO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)C1CNC1 ZINC000923571748 644508877 /nfs/dbraw/zinc/50/88/77/644508877.db2.gz ZQGAGGVZDJKBNM-VIFPVBQESA-N 1 3 247.364 -0.638 20 0 BBADHO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)C1CNC1 ZINC000923572038 644510266 /nfs/dbraw/zinc/51/02/66/644510266.db2.gz HLAPUOZNPASETK-JTQLQIEISA-N 1 3 249.380 -0.359 20 0 BBADHO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)C1CNC1 ZINC000923572039 644510048 /nfs/dbraw/zinc/51/00/48/644510048.db2.gz HLAPUOZNPASETK-SNVBAGLBSA-N 1 3 249.380 -0.359 20 0 BBADHO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)C1CNC1 ZINC000923572472 644510476 /nfs/dbraw/zinc/51/04/76/644510476.db2.gz JOIZZNLCJHZWJC-APPZFPTMSA-N 1 3 233.337 -0.995 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CNC1 ZINC000923572478 644510462 /nfs/dbraw/zinc/51/04/62/644510462.db2.gz JOIZZNLCJHZWJC-CBAPKCEASA-N 1 3 233.337 -0.995 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)C1CNC1 ZINC000923572481 644510115 /nfs/dbraw/zinc/51/01/15/644510115.db2.gz JOIZZNLCJHZWJC-IONNQARKSA-N 1 3 233.337 -0.995 20 0 BBADHO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)C1CNC1 ZINC000923572483 644509930 /nfs/dbraw/zinc/50/99/30/644509930.db2.gz JOIZZNLCJHZWJC-VXNVDRBHSA-N 1 3 233.337 -0.995 20 0 BBADHO O=S(=O)(C1CNC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923573015 644509894 /nfs/dbraw/zinc/50/98/94/644509894.db2.gz IRHYMZCRHRAIAQ-BDAKNGLRSA-N 1 3 245.348 -0.886 20 0 BBADHO CN(C1CCC([NH3+])CC1)S(=O)(=O)C1CNC1 ZINC000923573284 644510269 /nfs/dbraw/zinc/51/02/69/644510269.db2.gz LJGIXKPNBLCGFT-UHFFFAOYSA-N 1 3 247.364 -0.510 20 0 BBADHO CN(CC(C)(C)C[NH3+])S(=O)(=O)C1CNC1 ZINC000923574618 644513509 /nfs/dbraw/zinc/51/35/09/644513509.db2.gz VAHIMHXVBNGQTF-UHFFFAOYSA-N 1 3 235.353 -0.795 20 0 BBADHO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923574666 644513854 /nfs/dbraw/zinc/51/38/54/644513854.db2.gz WISKAHXVHMXZJT-BDAKNGLRSA-N 1 3 247.364 -0.653 20 0 BBADHO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923574668 644513619 /nfs/dbraw/zinc/51/36/19/644513619.db2.gz WISKAHXVHMXZJT-DTWKUNHWSA-N 1 3 247.364 -0.653 20 0 BBADHO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923574670 644513117 /nfs/dbraw/zinc/51/31/17/644513117.db2.gz WISKAHXVHMXZJT-IUCAKERBSA-N 1 3 247.364 -0.653 20 0 BBADHO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923574671 644513731 /nfs/dbraw/zinc/51/37/31/644513731.db2.gz WISKAHXVHMXZJT-RKDXNWHRSA-N 1 3 247.364 -0.653 20 0 BBADHO C[C@@H]1CCCN(S(=O)(=O)C2CNC2)[C@@H]1C[NH3+] ZINC000923574673 644513241 /nfs/dbraw/zinc/51/32/41/644513241.db2.gz WJADKEZUSBNSNR-PSASIEDQSA-N 1 3 247.364 -0.653 20 0 BBADHO C[C@@H]1CCCN(S(=O)(=O)C2CNC2)[C@H]1C[NH3+] ZINC000923574675 644513790 /nfs/dbraw/zinc/51/37/90/644513790.db2.gz WJADKEZUSBNSNR-SCZZXKLOSA-N 1 3 247.364 -0.653 20 0 BBADHO C[C@H]1CCCN(S(=O)(=O)C2CNC2)[C@@H]1C[NH3+] ZINC000923574676 644513463 /nfs/dbraw/zinc/51/34/63/644513463.db2.gz WJADKEZUSBNSNR-WCBMZHEXSA-N 1 3 247.364 -0.653 20 0 BBADHO C[C@H]1CCCN(S(=O)(=O)C2CNC2)[C@H]1C[NH3+] ZINC000923574677 644513228 /nfs/dbraw/zinc/51/32/28/644513228.db2.gz WJADKEZUSBNSNR-WPRPVWTQSA-N 1 3 247.364 -0.653 20 0 BBADHO CCC([NH3+])(CC)CNS(=O)(=O)C1CNC1 ZINC000923574983 644513746 /nfs/dbraw/zinc/51/37/46/644513746.db2.gz XIZMYYDLNDSEMD-UHFFFAOYSA-N 1 3 235.353 -0.605 20 0 BBADHO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)C1CNC1 ZINC000923577762 644512727 /nfs/dbraw/zinc/51/27/27/644512727.db2.gz VIHPBVIKAFNZSQ-JTQLQIEISA-N 1 3 249.380 -0.407 20 0 BBADHO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)C1CNC1 ZINC000923577763 644512028 /nfs/dbraw/zinc/51/20/28/644512028.db2.gz VIHPBVIKAFNZSQ-SNVBAGLBSA-N 1 3 249.380 -0.407 20 0 BBADHO O=S(=O)(C1CNC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923578026 644512078 /nfs/dbraw/zinc/51/20/78/644512078.db2.gz WMGJSBVEDQYXBQ-SECBINFHSA-N 1 3 245.348 -0.886 20 0 BBADHO O=S(=O)(C1CNC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923578027 644512770 /nfs/dbraw/zinc/51/27/70/644512770.db2.gz WMGJSBVEDQYXBQ-VIFPVBQESA-N 1 3 245.348 -0.886 20 0 BBADHO [NH3+]C[C@H](NS(=O)(=O)C1CNC1)C1CCCC1 ZINC000923634194 712625649 /nfs/dbraw/zinc/62/56/49/712625649.db2.gz CXRIXBCLXQVCDI-JTQLQIEISA-N 1 3 247.364 -0.605 20 0 BBADHO [NH3+]C[C@@H](NS(=O)(=O)C1CNC1)C1CCCC1 ZINC000923634195 712625619 /nfs/dbraw/zinc/62/56/19/712625619.db2.gz CXRIXBCLXQVCDI-SNVBAGLBSA-N 1 3 247.364 -0.605 20 0 BBADHO CC1([NH3+])CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923636526 645766250 /nfs/dbraw/zinc/76/62/50/645766250.db2.gz ZSJWVZMOIVIVGJ-UHFFFAOYSA-N 1 3 233.337 -0.899 20 0 BBADHO C[C@@H]1C[C@H](NS(=O)(=O)C2CNC2)CC[NH2+]1 ZINC000923636983 645767021 /nfs/dbraw/zinc/76/70/21/645767021.db2.gz SVIMZXGNXBNBMB-HTQZYQBOSA-N 1 3 233.337 -0.982 20 0 BBADHO C[C@H]1C[C@H](NS(=O)(=O)C2CNC2)CC[NH2+]1 ZINC000923636984 645766975 /nfs/dbraw/zinc/76/69/75/645766975.db2.gz SVIMZXGNXBNBMB-JGVFFNPUSA-N 1 3 233.337 -0.982 20 0 BBADHO C[C@@H]1C[C@@H](NS(=O)(=O)C2CNC2)CC[NH2+]1 ZINC000923636985 645766872 /nfs/dbraw/zinc/76/68/72/645766872.db2.gz SVIMZXGNXBNBMB-SFYZADRCSA-N 1 3 233.337 -0.982 20 0 BBADHO C[C@H]1C[C@@H](NS(=O)(=O)C2CNC2)CC[NH2+]1 ZINC000923636986 645766943 /nfs/dbraw/zinc/76/69/43/645766943.db2.gz SVIMZXGNXBNBMB-YUMQZZPRSA-N 1 3 233.337 -0.982 20 0 BBADHO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000923637129 645766925 /nfs/dbraw/zinc/76/69/25/645766925.db2.gz UJUCMEPXLWBYNQ-HTQZYQBOSA-N 1 3 233.337 -0.853 20 0 BBADHO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000923637134 645766837 /nfs/dbraw/zinc/76/68/37/645766837.db2.gz UJUCMEPXLWBYNQ-JGVFFNPUSA-N 1 3 233.337 -0.853 20 0 BBADHO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000923637136 645767045 /nfs/dbraw/zinc/76/70/45/645767045.db2.gz UJUCMEPXLWBYNQ-SFYZADRCSA-N 1 3 233.337 -0.853 20 0 BBADHO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000923637138 645766996 /nfs/dbraw/zinc/76/69/96/645766996.db2.gz UJUCMEPXLWBYNQ-YUMQZZPRSA-N 1 3 233.337 -0.853 20 0 BBADHO CC[C@@H]1CN(S(=O)(=O)C2CNC2)CC[C@H]1[NH3+] ZINC000923637943 645774550 /nfs/dbraw/zinc/77/45/50/645774550.db2.gz XEHDVBXMHQVRND-PSASIEDQSA-N 1 3 247.364 -0.653 20 0 BBADHO CC[C@@H]1CN(S(=O)(=O)C2CNC2)CC[C@@H]1[NH3+] ZINC000923637944 645774541 /nfs/dbraw/zinc/77/45/41/645774541.db2.gz XEHDVBXMHQVRND-SCZZXKLOSA-N 1 3 247.364 -0.653 20 0 BBADHO CC[C@H]1CN(S(=O)(=O)C2CNC2)CC[C@H]1[NH3+] ZINC000923637945 645774669 /nfs/dbraw/zinc/77/46/69/645774669.db2.gz XEHDVBXMHQVRND-WCBMZHEXSA-N 1 3 247.364 -0.653 20 0 BBADHO CC[C@H]1CN(S(=O)(=O)C2CNC2)CC[C@@H]1[NH3+] ZINC000923637946 645774604 /nfs/dbraw/zinc/77/46/04/645774604.db2.gz XEHDVBXMHQVRND-WPRPVWTQSA-N 1 3 247.364 -0.653 20 0 BBADHO [NH3+]C1CC2(C1)CC(NS(=O)(=O)C1CNC1)C2 ZINC000923637957 645774466 /nfs/dbraw/zinc/77/44/66/645774466.db2.gz XSIVJXAVSWQKSA-UHFFFAOYSA-N 1 3 245.348 -0.853 20 0 BBADHO CC1(CNS(=O)(=O)C2CNC2)CC[NH2+]CC1 ZINC000923638042 645775229 /nfs/dbraw/zinc/77/52/29/645775229.db2.gz AWMCTONKTZVRML-UHFFFAOYSA-N 1 3 247.364 -0.733 20 0 BBADHO O=S(=O)(N[C@@H]1CCC[NH2+]CC1)C1CNC1 ZINC000923638277 645775174 /nfs/dbraw/zinc/77/51/74/645775174.db2.gz GPTZSMFVFDPUAV-MRVPVSSYSA-N 1 3 233.337 -0.980 20 0 BBADHO O=S(=O)(N[C@H]1CCC[NH2+]CC1)C1CNC1 ZINC000923638278 645775415 /nfs/dbraw/zinc/77/54/15/645775415.db2.gz GPTZSMFVFDPUAV-QMMMGPOBSA-N 1 3 233.337 -0.980 20 0 BBADHO C[C@]1(CNS(=O)(=O)C2CNC2)CCC[NH2+]C1 ZINC000923638595 645775146 /nfs/dbraw/zinc/77/51/46/645775146.db2.gz PQLNYWARBNLHSQ-JTQLQIEISA-N 1 3 247.364 -0.733 20 0 BBADHO C[C@@]1(CNS(=O)(=O)C2CNC2)CCC[NH2+]C1 ZINC000923638596 645775196 /nfs/dbraw/zinc/77/51/96/645775196.db2.gz PQLNYWARBNLHSQ-SNVBAGLBSA-N 1 3 247.364 -0.733 20 0 BBADHO [NH3+]CC[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923639574 645776007 /nfs/dbraw/zinc/77/60/07/645776007.db2.gz QSOIPFAZLXFKHM-SECBINFHSA-N 1 3 247.364 -0.651 20 0 BBADHO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923639575 645776066 /nfs/dbraw/zinc/77/60/66/645776066.db2.gz QSOIPFAZLXFKHM-VIFPVBQESA-N 1 3 247.364 -0.651 20 0 BBADHO C[C@H](CCCC[NH3+])NS(=O)(=O)C1CNC1 ZINC000923639878 645779105 /nfs/dbraw/zinc/77/91/05/645779105.db2.gz DVAXLYIMUBNHBW-MRVPVSSYSA-N 1 3 235.353 -0.605 20 0 BBADHO C[C@@H](CCCC[NH3+])NS(=O)(=O)C1CNC1 ZINC000923639879 645778835 /nfs/dbraw/zinc/77/88/35/645778835.db2.gz DVAXLYIMUBNHBW-QMMMGPOBSA-N 1 3 235.353 -0.605 20 0 BBADHO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)C1CNC1 ZINC000923640012 645777417 /nfs/dbraw/zinc/77/74/17/645777417.db2.gz WPFLDLNZVMDISW-APPZFPTMSA-N 1 3 233.337 -0.982 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)C1CNC1 ZINC000923640013 645777014 /nfs/dbraw/zinc/77/70/14/645777014.db2.gz WPFLDLNZVMDISW-CBAPKCEASA-N 1 3 233.337 -0.982 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)C1CNC1 ZINC000923640015 645777603 /nfs/dbraw/zinc/77/76/03/645777603.db2.gz WPFLDLNZVMDISW-IONNQARKSA-N 1 3 233.337 -0.982 20 0 BBADHO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)C1CNC1 ZINC000923640016 645777997 /nfs/dbraw/zinc/77/79/97/645777997.db2.gz WPFLDLNZVMDISW-VXNVDRBHSA-N 1 3 233.337 -0.982 20 0 BBADHO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)C1CNC1 ZINC000923641138 645780657 /nfs/dbraw/zinc/78/06/57/645780657.db2.gz QETBCPAFPREFPZ-SECBINFHSA-N 1 3 245.348 -0.980 20 0 BBADHO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)C1CNC1 ZINC000923641140 645780480 /nfs/dbraw/zinc/78/04/80/645780480.db2.gz QETBCPAFPREFPZ-VIFPVBQESA-N 1 3 245.348 -0.980 20 0 BBADHO O=S(=O)(NCCC[NH2+]C1CC1)C1CNC1 ZINC000923641195 645780572 /nfs/dbraw/zinc/78/05/72/645780572.db2.gz KVBSTXNEQSQFDT-UHFFFAOYSA-N 1 3 233.337 -0.980 20 0 BBADHO CC1(NS(=O)(=O)C2CNC2)CC[NH2+]CC1 ZINC000923642525 645781104 /nfs/dbraw/zinc/78/11/04/645781104.db2.gz WINAANDGOSYANQ-UHFFFAOYSA-N 1 3 233.337 -0.980 20 0 BBADHO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)C1CNC1 ZINC000923642613 645782027 /nfs/dbraw/zinc/78/20/27/645782027.db2.gz FSPJDBYSHSVHPL-SECBINFHSA-N 1 3 247.364 -0.509 20 0 BBADHO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)C1CNC1 ZINC000923642614 645781868 /nfs/dbraw/zinc/78/18/68/645781868.db2.gz FSPJDBYSHSVHPL-VIFPVBQESA-N 1 3 247.364 -0.509 20 0 BBADHO C[C@H](CCC[NH3+])NS(=O)(=O)C1CNC1 ZINC000923643093 645782409 /nfs/dbraw/zinc/78/24/09/645782409.db2.gz ZPWLIDNNVFEMGF-SSDOTTSWSA-N 1 3 221.326 -0.995 20 0 BBADHO C[C@@H](CCC[NH3+])NS(=O)(=O)C1CNC1 ZINC000923643095 645782039 /nfs/dbraw/zinc/78/20/39/645782039.db2.gz ZPWLIDNNVFEMGF-ZETCQYMHSA-N 1 3 221.326 -0.995 20 0 BBADHO CN(C1(C[NH3+])CCC1)S(=O)(=O)C1CNC1 ZINC000923644449 645782969 /nfs/dbraw/zinc/78/29/69/645782969.db2.gz GSSITUKCURPBLV-UHFFFAOYSA-N 1 3 233.337 -0.899 20 0 BBADHO CC(C)(CCC[NH3+])NS(=O)(=O)C1CNC1 ZINC000923644900 645783028 /nfs/dbraw/zinc/78/30/28/645783028.db2.gz MHSYQLHTURNJFV-UHFFFAOYSA-N 1 3 235.353 -0.605 20 0 BBADHO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)C1CNC1 ZINC000923645072 645783297 /nfs/dbraw/zinc/78/32/97/645783297.db2.gz KCOIXJKJJSRAGX-SECBINFHSA-N 1 3 247.364 -0.590 20 0 BBADHO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)C1CNC1 ZINC000923645073 645782957 /nfs/dbraw/zinc/78/29/57/645782957.db2.gz KCOIXJKJJSRAGX-VIFPVBQESA-N 1 3 247.364 -0.590 20 0 BBADHO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000923647138 645784671 /nfs/dbraw/zinc/78/46/71/645784671.db2.gz VLKTZXQRMVVCSQ-HTQZYQBOSA-N 1 3 233.337 -0.995 20 0 BBADHO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000923647139 645784866 /nfs/dbraw/zinc/78/48/66/645784866.db2.gz VLKTZXQRMVVCSQ-JGVFFNPUSA-N 1 3 233.337 -0.995 20 0 BBADHO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000923647141 645784300 /nfs/dbraw/zinc/78/43/00/645784300.db2.gz VLKTZXQRMVVCSQ-SFYZADRCSA-N 1 3 233.337 -0.995 20 0 BBADHO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000923647142 645784534 /nfs/dbraw/zinc/78/45/34/645784534.db2.gz VLKTZXQRMVVCSQ-YUMQZZPRSA-N 1 3 233.337 -0.995 20 0 BBADHO C[C@@H]1CCN(S(=O)(=O)C2CNC2)C[C@@H]1C[NH3+] ZINC000923648065 645784595 /nfs/dbraw/zinc/78/45/95/645784595.db2.gz PVFJHPZCWJAVPB-BDAKNGLRSA-N 1 3 247.364 -0.795 20 0 BBADHO C[C@H]1CCN(S(=O)(=O)C2CNC2)C[C@H]1C[NH3+] ZINC000923648070 645784850 /nfs/dbraw/zinc/78/48/50/645784850.db2.gz PVFJHPZCWJAVPB-DTWKUNHWSA-N 1 3 247.364 -0.795 20 0 BBADHO C[C@H]1CCN(S(=O)(=O)C2CNC2)C[C@@H]1C[NH3+] ZINC000923648074 645784812 /nfs/dbraw/zinc/78/48/12/645784812.db2.gz PVFJHPZCWJAVPB-IUCAKERBSA-N 1 3 247.364 -0.795 20 0 BBADHO C[C@@H]1CCN(S(=O)(=O)C2CNC2)C[C@H]1C[NH3+] ZINC000923648078 645784494 /nfs/dbraw/zinc/78/44/94/645784494.db2.gz PVFJHPZCWJAVPB-RKDXNWHRSA-N 1 3 247.364 -0.795 20 0 BBADHO CC(C)(CC[NH3+])NS(=O)(=O)C1CNC1 ZINC000923648732 645784525 /nfs/dbraw/zinc/78/45/25/645784525.db2.gz HZPRCTSETHCVPV-UHFFFAOYSA-N 1 3 221.326 -0.995 20 0 BBADHO O=S(=O)(C1CNC1)N1CCC2(CC[NH2+]2)CC1 ZINC000923648965 645784255 /nfs/dbraw/zinc/78/42/55/645784255.db2.gz KXBZCNCQTJKCEP-UHFFFAOYSA-N 1 3 245.348 -0.884 20 0 BBADHO O=S(=O)(C1CNC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923649369 645784721 /nfs/dbraw/zinc/78/47/21/645784721.db2.gz QYASYNCDHWZMSE-JTQLQIEISA-N 1 3 245.348 -0.884 20 0 BBADHO O=S(=O)(C1CNC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000923649370 645784757 /nfs/dbraw/zinc/78/47/57/645784757.db2.gz QYASYNCDHWZMSE-SNVBAGLBSA-N 1 3 245.348 -0.884 20 0 BBADHO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CNC1 ZINC000923649730 645785683 /nfs/dbraw/zinc/78/56/83/645785683.db2.gz CIDGLVOYGOKJMK-RKDXNWHRSA-N 1 3 233.337 -0.853 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)C1CNC1 ZINC000923650459 645785830 /nfs/dbraw/zinc/78/58/30/645785830.db2.gz NMSROTVCLUTANA-BQBZGAKWSA-N 1 3 221.326 -0.997 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)C1CNC1 ZINC000923650460 645785483 /nfs/dbraw/zinc/78/54/83/645785483.db2.gz NMSROTVCLUTANA-NKWVEPMBSA-N 1 3 221.326 -0.997 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)C1CNC1 ZINC000923650461 645785812 /nfs/dbraw/zinc/78/58/12/645785812.db2.gz NMSROTVCLUTANA-RNFRBKRXSA-N 1 3 221.326 -0.997 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)C1CNC1 ZINC000923650462 645785918 /nfs/dbraw/zinc/78/59/18/645785918.db2.gz NMSROTVCLUTANA-RQJHMYQMSA-N 1 3 221.326 -0.997 20 0 BBADHO O=S(=O)(NCCC1CC[NH2+]CC1)C1CNC1 ZINC000923651091 645785658 /nfs/dbraw/zinc/78/56/58/645785658.db2.gz CXZWEPMZSASNCX-UHFFFAOYSA-N 1 3 247.364 -0.733 20 0 BBADHO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)C1CNC1 ZINC000923651955 712629370 /nfs/dbraw/zinc/62/93/70/712629370.db2.gz JNCPFMVFSWVUJQ-HTQZYQBOSA-N 1 3 233.337 -0.900 20 0 BBADHO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)C1CNC1 ZINC000923651956 712629367 /nfs/dbraw/zinc/62/93/67/712629367.db2.gz JNCPFMVFSWVUJQ-JGVFFNPUSA-N 1 3 233.337 -0.900 20 0 BBADHO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)C1CNC1 ZINC000923651957 712629519 /nfs/dbraw/zinc/62/95/19/712629519.db2.gz JNCPFMVFSWVUJQ-SFYZADRCSA-N 1 3 233.337 -0.900 20 0 BBADHO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)C1CNC1 ZINC000923651958 712629521 /nfs/dbraw/zinc/62/95/21/712629521.db2.gz JNCPFMVFSWVUJQ-YUMQZZPRSA-N 1 3 233.337 -0.900 20 0 BBADHO [NH3+]C1(CNS(=O)(=O)C2CNC2)CCCC1 ZINC000923654655 645787755 /nfs/dbraw/zinc/78/77/55/645787755.db2.gz IHMPOGJURCULQP-UHFFFAOYSA-N 1 3 233.337 -0.851 20 0 BBADHO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2CNC2)C1 ZINC000923654850 645789995 /nfs/dbraw/zinc/78/99/95/645789995.db2.gz JMHKXDWECLTLSE-DTORHVGOSA-N 1 3 247.364 -0.782 20 0 BBADHO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)C1CNC1 ZINC000923657319 645793290 /nfs/dbraw/zinc/79/32/90/645793290.db2.gz YWYYKMBVEDBSBI-SECBINFHSA-N 1 3 247.364 -0.638 20 0 BBADHO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)C1CNC1 ZINC000923657321 645793643 /nfs/dbraw/zinc/79/36/43/645793643.db2.gz YWYYKMBVEDBSBI-VIFPVBQESA-N 1 3 247.364 -0.638 20 0 BBADHO C[C@@H]1CCN(S(=O)(=O)C2CNC2)[C@H](C[NH3+])C1 ZINC000923657375 645793963 /nfs/dbraw/zinc/79/39/63/645793963.db2.gz ZZGNCXOKGGQRPV-BDAKNGLRSA-N 1 3 247.364 -0.653 20 0 BBADHO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)C1CNC1)C2 ZINC000923658471 645796358 /nfs/dbraw/zinc/79/63/58/645796358.db2.gz FZYLFHQHQQZDMQ-PSASIEDQSA-N 1 3 245.348 -0.899 20 0 BBADHO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)C1CNC1)C2 ZINC000923658472 645796819 /nfs/dbraw/zinc/79/68/19/645796819.db2.gz FZYLFHQHQQZDMQ-SCZZXKLOSA-N 1 3 245.348 -0.899 20 0 BBADHO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)C1CNC1)C2 ZINC000923658473 645797531 /nfs/dbraw/zinc/79/75/31/645797531.db2.gz FZYLFHQHQQZDMQ-WCBMZHEXSA-N 1 3 245.348 -0.899 20 0 BBADHO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)C1CNC1)C2 ZINC000923658474 645797261 /nfs/dbraw/zinc/79/72/61/645797261.db2.gz FZYLFHQHQQZDMQ-WPRPVWTQSA-N 1 3 245.348 -0.899 20 0 BBADHO CC(C)[C@H]([NH3+])CCNS(=O)(=O)C1CNC1 ZINC000923658589 645797434 /nfs/dbraw/zinc/79/74/34/645797434.db2.gz NAECRQZROKTEFJ-SECBINFHSA-N 1 3 235.353 -0.749 20 0 BBADHO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)C1CNC1 ZINC000923659821 645799423 /nfs/dbraw/zinc/79/94/23/645799423.db2.gz OOGSBKMARRKPKR-SECBINFHSA-N 1 3 245.348 -0.838 20 0 BBADHO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)C1CNC1 ZINC000923659829 645799045 /nfs/dbraw/zinc/79/90/45/645799045.db2.gz OOGSBKMARRKPKR-VIFPVBQESA-N 1 3 245.348 -0.838 20 0 BBADHO C[C@@H]1CC[C@@H](NS(=O)(=O)C2CNC2)C[NH2+]1 ZINC000923662007 645807869 /nfs/dbraw/zinc/80/78/69/645807869.db2.gz IWPVZFPRGLBGEO-HTQZYQBOSA-N 1 3 233.337 -0.982 20 0 BBADHO C[C@H]1CC[C@@H](NS(=O)(=O)C2CNC2)C[NH2+]1 ZINC000923662008 645807804 /nfs/dbraw/zinc/80/78/04/645807804.db2.gz IWPVZFPRGLBGEO-JGVFFNPUSA-N 1 3 233.337 -0.982 20 0 BBADHO C[C@@H]1CC[C@H](NS(=O)(=O)C2CNC2)C[NH2+]1 ZINC000923662009 645807918 /nfs/dbraw/zinc/80/79/18/645807918.db2.gz IWPVZFPRGLBGEO-SFYZADRCSA-N 1 3 233.337 -0.982 20 0 BBADHO C[C@H]1CC[C@H](NS(=O)(=O)C2CNC2)C[NH2+]1 ZINC000923662010 645807948 /nfs/dbraw/zinc/80/79/48/645807948.db2.gz IWPVZFPRGLBGEO-YUMQZZPRSA-N 1 3 233.337 -0.982 20 0 BBADHO [NH3+][C@@H]1CCCCCN(S(=O)(=O)C2CNC2)C1 ZINC000923662110 645807957 /nfs/dbraw/zinc/80/79/57/645807957.db2.gz MCJJGAQIDRUFOP-SECBINFHSA-N 1 3 247.364 -0.509 20 0 BBADHO [NH3+][C@H]1CCCCCN(S(=O)(=O)C2CNC2)C1 ZINC000923662111 645807748 /nfs/dbraw/zinc/80/77/48/645807748.db2.gz MCJJGAQIDRUFOP-VIFPVBQESA-N 1 3 247.364 -0.509 20 0 BBADHO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)C1CNC1 ZINC000923663595 645809943 /nfs/dbraw/zinc/80/99/43/645809943.db2.gz YGKRPABZLJIGLR-DTWKUNHWSA-N 1 3 233.337 -0.982 20 0 BBADHO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)C2CNC2)CC1 ZINC000923665528 645809583 /nfs/dbraw/zinc/80/95/83/645809583.db2.gz BENYNADHGLNASS-KYZUINATSA-N 1 3 247.364 -0.605 20 0 BBADHO [NH3+]CC1(NS(=O)(=O)C2CNC2)CCCCC1 ZINC000923665957 645809666 /nfs/dbraw/zinc/80/96/66/645809666.db2.gz CYXJRZXTGPEDJZ-UHFFFAOYSA-N 1 3 247.364 -0.461 20 0 BBADHO [NH3+]CC12CCC(CC1)N2S(=O)(=O)C1CNC1 ZINC000923667667 645810520 /nfs/dbraw/zinc/81/05/20/645810520.db2.gz OVBTZAPMGBAFBA-UHFFFAOYSA-N 1 3 245.348 -0.756 20 0 BBADHO C[C@@H](NS(=O)(=O)C1CNC1)C1CC[NH2+]CC1 ZINC000923668522 712631819 /nfs/dbraw/zinc/63/18/19/712631819.db2.gz HGDPGOLIGVILCC-MRVPVSSYSA-N 1 3 247.364 -0.734 20 0 BBADHO C[C@H](NS(=O)(=O)C1CNC1)C1CC[NH2+]CC1 ZINC000923668523 712631826 /nfs/dbraw/zinc/63/18/26/712631826.db2.gz HGDPGOLIGVILCC-QMMMGPOBSA-N 1 3 247.364 -0.734 20 0 BBADHO O=S(=O)(C1CNC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923670926 645811889 /nfs/dbraw/zinc/81/18/89/645811889.db2.gz COWWAHMHMWYUSE-NXEZZACHSA-N 1 3 245.348 -0.886 20 0 BBADHO O=S(=O)(C1CNC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923670927 645811981 /nfs/dbraw/zinc/81/19/81/645811981.db2.gz COWWAHMHMWYUSE-UWVGGRQHSA-N 1 3 245.348 -0.886 20 0 BBADHO O=S(=O)(C1CNC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923670928 645811909 /nfs/dbraw/zinc/81/19/09/645811909.db2.gz COWWAHMHMWYUSE-VHSXEESVSA-N 1 3 245.348 -0.886 20 0 BBADHO O=S(=O)(C1CNC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923670929 645812144 /nfs/dbraw/zinc/81/21/44/645812144.db2.gz COWWAHMHMWYUSE-ZJUUUORDSA-N 1 3 245.348 -0.886 20 0 BBADHO O=S(=O)(N[C@@]12CCC[C@H]1[NH2+]CC2)C1CNC1 ZINC000923671475 645813513 /nfs/dbraw/zinc/81/35/13/645813513.db2.gz QOHGRPAQHNYTNG-NXEZZACHSA-N 1 3 245.348 -0.838 20 0 BBADHO O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)C1CNC1 ZINC000923671478 645813049 /nfs/dbraw/zinc/81/30/49/645813049.db2.gz QOHGRPAQHNYTNG-UWVGGRQHSA-N 1 3 245.348 -0.838 20 0 BBADHO O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)C1CNC1 ZINC000923671481 645812918 /nfs/dbraw/zinc/81/29/18/645812918.db2.gz QOHGRPAQHNYTNG-VHSXEESVSA-N 1 3 245.348 -0.838 20 0 BBADHO O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)C1CNC1 ZINC000923671484 645814106 /nfs/dbraw/zinc/81/41/06/645814106.db2.gz QOHGRPAQHNYTNG-ZJUUUORDSA-N 1 3 245.348 -0.838 20 0 BBADHO CN(CCCCCC[NH3+])S(=O)(=O)C1CNC1 ZINC000923671950 645813723 /nfs/dbraw/zinc/81/37/23/645813723.db2.gz NLWDCKVGCIDTKT-UHFFFAOYSA-N 1 3 249.380 -0.261 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)C1CNC1 ZINC000923672263 645812564 /nfs/dbraw/zinc/81/25/64/645812564.db2.gz COFULVJJRILIJU-RKDXNWHRSA-N 1 3 247.364 -0.877 20 0 BBADHO C[C@@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1CC[NH3+] ZINC000923672828 645813387 /nfs/dbraw/zinc/81/33/87/645813387.db2.gz GVQJTXIFJSWJRW-RKDXNWHRSA-N 1 3 247.364 -0.795 20 0 BBADHO CCC1([NH3+])CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923673989 645817874 /nfs/dbraw/zinc/81/78/74/645817874.db2.gz JIJHOUPDVJCKJP-UHFFFAOYSA-N 1 3 247.364 -0.509 20 0 BBADHO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)C1CNC1 ZINC000923674047 645817169 /nfs/dbraw/zinc/81/71/69/645817169.db2.gz KMNJUVQDZRMRRU-SECBINFHSA-N 1 3 247.364 -0.638 20 0 BBADHO CC(C)([NH3+])CCNS(=O)(=O)C1CNC1 ZINC000923674945 645817810 /nfs/dbraw/zinc/81/78/10/645817810.db2.gz PUVLNVHJRZMCNW-UHFFFAOYSA-N 1 3 221.326 -0.995 20 0 BBADHO C[NH2+]CCN(C(C)C)S(=O)(=O)C1CNC1 ZINC000923675975 645816596 /nfs/dbraw/zinc/81/65/96/645816596.db2.gz CUOYBPOWFMAQFV-UHFFFAOYSA-N 1 3 235.353 -0.782 20 0 BBADHO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)C1CNC1 ZINC000923677577 645821204 /nfs/dbraw/zinc/82/12/04/645821204.db2.gz KMNJUVQDZRMRRU-VIFPVBQESA-N 1 3 247.364 -0.638 20 0 BBADHO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)C2CNC2)C1 ZINC000923741679 637037113 /nfs/dbraw/zinc/03/71/13/637037113.db2.gz YZVKKVMUIVCZNR-JGVFFNPUSA-N 1 3 233.337 -0.995 20 0 BBADHO CN(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000924998409 646155046 /nfs/dbraw/zinc/15/50/46/646155046.db2.gz CFMLATHKEDQXEM-UHFFFAOYSA-N 1 3 241.335 -0.878 20 0 BBADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCO)CCC1 ZINC000924999813 635837549 /nfs/dbraw/zinc/83/75/49/635837549.db2.gz ODVAFMJFSGMUJK-UHFFFAOYSA-N 1 3 243.351 -0.489 20 0 BBADHO CN(C)C1(C(=O)NCC[N@H+](C)CCO)CCC1 ZINC000924999813 635837544 /nfs/dbraw/zinc/83/75/44/635837544.db2.gz ODVAFMJFSGMUJK-UHFFFAOYSA-N 1 3 243.351 -0.489 20 0 BBADHO C[C@@H](CN1C(=O)N[C@H](CN(C)C)C1=O)[NH+](C)C ZINC000925314383 636820080 /nfs/dbraw/zinc/82/00/80/636820080.db2.gz FDMWSYLBHLPTMD-DTWKUNHWSA-N 1 3 242.323 -0.582 20 0 BBADHO C[C@@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)[NH+](C)C ZINC000925314386 636820398 /nfs/dbraw/zinc/82/03/98/636820398.db2.gz FDMWSYLBHLPTMD-IUCAKERBSA-N 1 3 242.323 -0.582 20 0 BBADHO C(CN1CCCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925508501 646309374 /nfs/dbraw/zinc/30/93/74/646309374.db2.gz HBZIITMVJDJBRP-LLVKDONJSA-N 1 3 213.325 -0.340 20 0 BBADHO C(CN1CCCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925508502 646308795 /nfs/dbraw/zinc/30/87/95/646308795.db2.gz HBZIITMVJDJBRP-NSHDSACASA-N 1 3 213.325 -0.340 20 0 BBADHO Cc1nccn1CC[NH2+][C@@H]1CNCCOC1 ZINC000925535580 646321961 /nfs/dbraw/zinc/32/19/61/646321961.db2.gz ZIMCSVIVXUOYBR-LLVKDONJSA-N 1 3 224.308 -0.230 20 0 BBADHO Cc1nccn1CC[NH2+][C@H]1CNCCOC1 ZINC000925535582 646322439 /nfs/dbraw/zinc/32/24/39/646322439.db2.gz ZIMCSVIVXUOYBR-NSHDSACASA-N 1 3 224.308 -0.230 20 0 BBADHO CN1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925563459 646335228 /nfs/dbraw/zinc/33/52/28/646335228.db2.gz BYXGNTBQGUQBIE-GHMZBOCLSA-N 1 3 213.325 -0.341 20 0 BBADHO CN1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925563460 646335936 /nfs/dbraw/zinc/33/59/36/646335936.db2.gz BYXGNTBQGUQBIE-MNOVXSKESA-N 1 3 213.325 -0.341 20 0 BBADHO CN1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925563462 646335587 /nfs/dbraw/zinc/33/55/87/646335587.db2.gz BYXGNTBQGUQBIE-QWRGUYRKSA-N 1 3 213.325 -0.341 20 0 BBADHO CN1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925563463 646336417 /nfs/dbraw/zinc/33/64/17/646336417.db2.gz BYXGNTBQGUQBIE-WDEREUQCSA-N 1 3 213.325 -0.341 20 0 BBADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)COC1 ZINC000925586576 646346863 /nfs/dbraw/zinc/34/68/63/646346863.db2.gz UAHYYTWQTRGCGB-FOSCPWQOSA-N 1 3 240.347 -0.075 20 0 BBADHO Cn1cncc1CC[NH2+][C@H]1CNCCOC1 ZINC000925647431 646387980 /nfs/dbraw/zinc/38/79/80/646387980.db2.gz YPWUFVNQNFHSEY-JTQLQIEISA-N 1 3 224.308 -0.459 20 0 BBADHO Cn1cncc1CC[NH2+][C@@H]1CNCCOC1 ZINC000925647436 646387803 /nfs/dbraw/zinc/38/78/03/646387803.db2.gz YPWUFVNQNFHSEY-SNVBAGLBSA-N 1 3 224.308 -0.459 20 0 BBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925665439 646398291 /nfs/dbraw/zinc/39/82/91/646398291.db2.gz GHERUWHBVXKABD-AEJSXWLSSA-N 1 3 214.309 -0.147 20 0 BBADHO COC[C@@H](O)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925665439 646398286 /nfs/dbraw/zinc/39/82/86/646398286.db2.gz GHERUWHBVXKABD-AEJSXWLSSA-N 1 3 214.309 -0.147 20 0 BBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925665442 646398819 /nfs/dbraw/zinc/39/88/19/646398819.db2.gz GHERUWHBVXKABD-GUBZILKMSA-N 1 3 214.309 -0.147 20 0 BBADHO COC[C@@H](O)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925665442 646398815 /nfs/dbraw/zinc/39/88/15/646398815.db2.gz GHERUWHBVXKABD-GUBZILKMSA-N 1 3 214.309 -0.147 20 0 BBADHO COC[C@@H](O)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925665444 646398264 /nfs/dbraw/zinc/39/82/64/646398264.db2.gz GHERUWHBVXKABD-IVZWLZJFSA-N 1 3 214.309 -0.147 20 0 BBADHO COC[C@@H](O)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925665444 646398259 /nfs/dbraw/zinc/39/82/59/646398259.db2.gz GHERUWHBVXKABD-IVZWLZJFSA-N 1 3 214.309 -0.147 20 0 BBADHO COC[C@@H](O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925665446 646398654 /nfs/dbraw/zinc/39/86/54/646398654.db2.gz GHERUWHBVXKABD-LPEHRKFASA-N 1 3 214.309 -0.147 20 0 BBADHO COC[C@@H](O)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925665446 646398651 /nfs/dbraw/zinc/39/86/51/646398651.db2.gz GHERUWHBVXKABD-LPEHRKFASA-N 1 3 214.309 -0.147 20 0 BBADHO c1nc2c([nH]1)CC[C@@H](N[C@@H]1C[NH2+]CCOC1)C2 ZINC000925669038 646401370 /nfs/dbraw/zinc/40/13/70/646401370.db2.gz NXFFKKFGLDIPLZ-NXEZZACHSA-N 1 3 236.319 -0.155 20 0 BBADHO c1nc2c([nH]1)C[C@H](N[C@@H]1C[NH2+]CCOC1)CC2 ZINC000925669038 646401364 /nfs/dbraw/zinc/40/13/64/646401364.db2.gz NXFFKKFGLDIPLZ-NXEZZACHSA-N 1 3 236.319 -0.155 20 0 BBADHO c1nc2c([nH]1)CC[C@H](N[C@H]1C[NH2+]CCOC1)C2 ZINC000925669039 646400237 /nfs/dbraw/zinc/40/02/37/646400237.db2.gz NXFFKKFGLDIPLZ-UWVGGRQHSA-N 1 3 236.319 -0.155 20 0 BBADHO c1nc2c([nH]1)C[C@@H](N[C@H]1C[NH2+]CCOC1)CC2 ZINC000925669039 646400234 /nfs/dbraw/zinc/40/02/34/646400234.db2.gz NXFFKKFGLDIPLZ-UWVGGRQHSA-N 1 3 236.319 -0.155 20 0 BBADHO c1nc2c([nH]1)CC[C@H](N[C@@H]1C[NH2+]CCOC1)C2 ZINC000925669040 646399885 /nfs/dbraw/zinc/39/98/85/646399885.db2.gz NXFFKKFGLDIPLZ-VHSXEESVSA-N 1 3 236.319 -0.155 20 0 BBADHO c1nc2c([nH]1)C[C@@H](N[C@@H]1C[NH2+]CCOC1)CC2 ZINC000925669040 646399880 /nfs/dbraw/zinc/39/98/80/646399880.db2.gz NXFFKKFGLDIPLZ-VHSXEESVSA-N 1 3 236.319 -0.155 20 0 BBADHO c1nc2c([nH]1)CC[C@@H](N[C@H]1C[NH2+]CCOC1)C2 ZINC000925669041 646400781 /nfs/dbraw/zinc/40/07/81/646400781.db2.gz NXFFKKFGLDIPLZ-ZJUUUORDSA-N 1 3 236.319 -0.155 20 0 BBADHO c1nc2c([nH]1)C[C@H](N[C@H]1C[NH2+]CCOC1)CC2 ZINC000925669041 646400777 /nfs/dbraw/zinc/40/07/77/646400777.db2.gz NXFFKKFGLDIPLZ-ZJUUUORDSA-N 1 3 236.319 -0.155 20 0 BBADHO O=C1C[C@H](C[NH2+][C@@H]2CCNC23CCC3)CN1 ZINC000925685319 646411089 /nfs/dbraw/zinc/41/10/89/646411089.db2.gz IEFLUDFYYYINEB-NXEZZACHSA-N 1 3 223.320 -0.003 20 0 BBADHO O=C1C[C@@H](C[NH2+][C@H]2CCNC23CCC3)CN1 ZINC000925685320 646411858 /nfs/dbraw/zinc/41/18/58/646411858.db2.gz IEFLUDFYYYINEB-UWVGGRQHSA-N 1 3 223.320 -0.003 20 0 BBADHO O=C1C[C@@H](C[NH2+][C@@H]2CCNC23CCC3)CN1 ZINC000925685321 646411145 /nfs/dbraw/zinc/41/11/45/646411145.db2.gz IEFLUDFYYYINEB-VHSXEESVSA-N 1 3 223.320 -0.003 20 0 BBADHO O=C1C[C@H](C[NH2+][C@H]2CCNC23CCC3)CN1 ZINC000925685322 646410688 /nfs/dbraw/zinc/41/06/88/646410688.db2.gz IEFLUDFYYYINEB-ZJUUUORDSA-N 1 3 223.320 -0.003 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC[C@H]1CNCCO1 ZINC000925704870 634384455 /nfs/dbraw/zinc/38/44/55/634384455.db2.gz HPBVLLFBPCZPTI-NXEZZACHSA-N 1 3 213.325 -0.295 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CNCCO1 ZINC000925704871 634383284 /nfs/dbraw/zinc/38/32/84/634383284.db2.gz HPBVLLFBPCZPTI-UWVGGRQHSA-N 1 3 213.325 -0.295 20 0 BBADHO CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CNCCO1 ZINC000925704872 634383788 /nfs/dbraw/zinc/38/37/88/634383788.db2.gz HPBVLLFBPCZPTI-VHSXEESVSA-N 1 3 213.325 -0.295 20 0 BBADHO CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CNCCO1 ZINC000925704873 634384895 /nfs/dbraw/zinc/38/48/95/634384895.db2.gz HPBVLLFBPCZPTI-ZJUUUORDSA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CNCCO1 ZINC000925704956 646429694 /nfs/dbraw/zinc/42/96/94/646429694.db2.gz JAQVNVHDIPTKIR-AXFHLTTASA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CNCCO1 ZINC000925704957 646428965 /nfs/dbraw/zinc/42/89/65/646428965.db2.gz JAQVNVHDIPTKIR-DCAQKATOSA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CNCCO1 ZINC000925704958 646429205 /nfs/dbraw/zinc/42/92/05/646429205.db2.gz JAQVNVHDIPTKIR-GARJFASQSA-N 1 3 213.325 -0.295 20 0 BBADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CNCCO1 ZINC000925704959 646428579 /nfs/dbraw/zinc/42/85/79/646428579.db2.gz JAQVNVHDIPTKIR-HBNTYKKESA-N 1 3 213.325 -0.295 20 0 BBADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CNCCO1 ZINC000925708563 634402583 /nfs/dbraw/zinc/40/25/83/634402583.db2.gz RMZVRNXQESDLLH-LIBFEPKXSA-N 1 3 237.347 -0.439 20 0 BBADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CNCCO1 ZINC000925708564 634402027 /nfs/dbraw/zinc/40/20/27/634402027.db2.gz RMZVRNXQESDLLH-MCDVFOBDSA-N 1 3 237.347 -0.439 20 0 BBADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1CNCCO1 ZINC000925708565 634403279 /nfs/dbraw/zinc/40/32/79/634403279.db2.gz RMZVRNXQESDLLH-RJRAAQABSA-N 1 3 237.347 -0.439 20 0 BBADHO FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CNCCOC1 ZINC000925712907 646438572 /nfs/dbraw/zinc/43/85/72/646438572.db2.gz VXTXERLFBMUIKX-NXEZZACHSA-N 1 3 249.305 -0.191 20 0 BBADHO FC1(F)CNCC[C@H]1C[NH2+][C@H]1CNCCOC1 ZINC000925712908 646439062 /nfs/dbraw/zinc/43/90/62/646439062.db2.gz VXTXERLFBMUIKX-UWVGGRQHSA-N 1 3 249.305 -0.191 20 0 BBADHO FC1(F)CNCC[C@H]1C[NH2+][C@@H]1CNCCOC1 ZINC000925712910 646438357 /nfs/dbraw/zinc/43/83/57/646438357.db2.gz VXTXERLFBMUIKX-VHSXEESVSA-N 1 3 249.305 -0.191 20 0 BBADHO FC1(F)CNCC[C@@H]1C[NH2+][C@H]1CNCCOC1 ZINC000925712912 646439538 /nfs/dbraw/zinc/43/95/38/646439538.db2.gz VXTXERLFBMUIKX-ZJUUUORDSA-N 1 3 249.305 -0.191 20 0 BBADHO [NH3+][C@@H]1C[C@H](NC[C@H]2COCCN2)C12CCC2 ZINC000925718620 711714722 /nfs/dbraw/zinc/71/47/22/711714722.db2.gz ORBYGJIIWUUASW-AXFHLTTASA-N 1 3 225.336 -0.166 20 0 BBADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2COCCN2)C12CCC2 ZINC000925718621 711714676 /nfs/dbraw/zinc/71/46/76/711714676.db2.gz ORBYGJIIWUUASW-GMTAPVOTSA-N 1 3 225.336 -0.166 20 0 BBADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2COCCN2)C12CCC2 ZINC000925718622 711714682 /nfs/dbraw/zinc/71/46/82/711714682.db2.gz ORBYGJIIWUUASW-HBNTYKKESA-N 1 3 225.336 -0.166 20 0 BBADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2COCCN2)C12CCC2 ZINC000925718623 711714639 /nfs/dbraw/zinc/71/46/39/711714639.db2.gz ORBYGJIIWUUASW-MXWKQRLJSA-N 1 3 225.336 -0.166 20 0 BBADHO Nc1ccnc(CN[C@@H]2C[NH2+]CCOC2)c1 ZINC000925768104 646469587 /nfs/dbraw/zinc/46/95/87/646469587.db2.gz SPXIMIXJROQCOF-LLVKDONJSA-N 1 3 222.292 -0.258 20 0 BBADHO Nc1ccnc(CN[C@H]2C[NH2+]CCOC2)c1 ZINC000925768105 646468296 /nfs/dbraw/zinc/46/82/96/646468296.db2.gz SPXIMIXJROQCOF-NSHDSACASA-N 1 3 222.292 -0.258 20 0 BBADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCNC1=O ZINC000925776084 646475590 /nfs/dbraw/zinc/47/55/90/646475590.db2.gz CQHJSSXUXSUQEY-GHMZBOCLSA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCNC1=O ZINC000925776085 646474992 /nfs/dbraw/zinc/47/49/92/646474992.db2.gz CQHJSSXUXSUQEY-MNOVXSKESA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCNC1=O ZINC000925776086 646475480 /nfs/dbraw/zinc/47/54/80/646475480.db2.gz CQHJSSXUXSUQEY-QWRGUYRKSA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCNC1=O ZINC000925776087 646476127 /nfs/dbraw/zinc/47/61/27/646476127.db2.gz CQHJSSXUXSUQEY-WDEREUQCSA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@@H](NCCN1CCNC1=O)[C@@H]1CCC[NH2+]C1 ZINC000925776385 635254150 /nfs/dbraw/zinc/25/41/50/635254150.db2.gz FTRHEXILQNHWRO-GHMZBOCLSA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@@H](NCCN1CCNC1=O)[C@H]1CCC[NH2+]C1 ZINC000925776386 635253538 /nfs/dbraw/zinc/25/35/38/635253538.db2.gz FTRHEXILQNHWRO-MNOVXSKESA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@H](NCCN1CCNC1=O)[C@H]1CCC[NH2+]C1 ZINC000925776387 635251993 /nfs/dbraw/zinc/25/19/93/635251993.db2.gz FTRHEXILQNHWRO-QWRGUYRKSA-N 1 3 240.351 -0.011 20 0 BBADHO C[C@H](NCCN1CCNC1=O)[C@@H]1CCC[NH2+]C1 ZINC000925776388 635253575 /nfs/dbraw/zinc/25/35/75/635253575.db2.gz FTRHEXILQNHWRO-WDEREUQCSA-N 1 3 240.351 -0.011 20 0 BBADHO O=C1NCCN1CCN[C@H]1CCC[NH2+]CC1 ZINC000925776442 646474865 /nfs/dbraw/zinc/47/48/65/646474865.db2.gz GSOXGDIYAFZNFT-JTQLQIEISA-N 1 3 226.324 -0.257 20 0 BBADHO O=C1NCCN1CCN[C@@H]1CCC[NH2+]CC1 ZINC000925776443 646475737 /nfs/dbraw/zinc/47/57/37/646475737.db2.gz GSOXGDIYAFZNFT-SNVBAGLBSA-N 1 3 226.324 -0.257 20 0 BBADHO C[C@@H](NCCN1CCNC1=O)[C@@H]1CC[NH2+]C1 ZINC000925778398 635264458 /nfs/dbraw/zinc/26/44/58/635264458.db2.gz VPXRJRJMWVNIBL-NXEZZACHSA-N 1 3 226.324 -0.401 20 0 BBADHO C[C@H](NCCN1CCNC1=O)[C@H]1CC[NH2+]C1 ZINC000925778399 635265407 /nfs/dbraw/zinc/26/54/07/635265407.db2.gz VPXRJRJMWVNIBL-UWVGGRQHSA-N 1 3 226.324 -0.401 20 0 BBADHO C[C@H](NCCN1CCNC1=O)[C@@H]1CC[NH2+]C1 ZINC000925778546 635264712 /nfs/dbraw/zinc/26/47/12/635264712.db2.gz VPXRJRJMWVNIBL-VHSXEESVSA-N 1 3 226.324 -0.401 20 0 BBADHO C[C@@H](NCCN1CCNC1=O)[C@H]1CC[NH2+]C1 ZINC000925778547 635268118 /nfs/dbraw/zinc/26/81/18/635268118.db2.gz VPXRJRJMWVNIBL-ZJUUUORDSA-N 1 3 226.324 -0.401 20 0 BBADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CCNC1=O ZINC000925778605 646477343 /nfs/dbraw/zinc/47/73/43/646477343.db2.gz VYZFSTZGKPTQLQ-BDAKNGLRSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCNC1=O ZINC000925778607 646477552 /nfs/dbraw/zinc/47/75/52/646477552.db2.gz VYZFSTZGKPTQLQ-DTWKUNHWSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCNC1=O ZINC000925778609 646477970 /nfs/dbraw/zinc/47/79/70/646477970.db2.gz VYZFSTZGKPTQLQ-IUCAKERBSA-N 1 3 214.313 -0.273 20 0 BBADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CCNC1=O ZINC000925778612 646476666 /nfs/dbraw/zinc/47/66/66/646476666.db2.gz VYZFSTZGKPTQLQ-RKDXNWHRSA-N 1 3 214.313 -0.273 20 0 BBADHO NC[C@H]1CCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925778926 646477271 /nfs/dbraw/zinc/47/72/71/646477271.db2.gz YJKSHVUNLZJFTN-NXEZZACHSA-N 1 3 226.324 -0.271 20 0 BBADHO [NH3+]C[C@H]1CCC[C@H]1NCCN1CCNC1=O ZINC000925778926 646477269 /nfs/dbraw/zinc/47/72/69/646477269.db2.gz YJKSHVUNLZJFTN-NXEZZACHSA-N 1 3 226.324 -0.271 20 0 BBADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925778928 646464673 /nfs/dbraw/zinc/46/46/73/646464673.db2.gz YJKSHVUNLZJFTN-UWVGGRQHSA-N 1 3 226.324 -0.271 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCN1CCNC1=O ZINC000925778928 646464669 /nfs/dbraw/zinc/46/46/69/646464669.db2.gz YJKSHVUNLZJFTN-UWVGGRQHSA-N 1 3 226.324 -0.271 20 0 BBADHO NC[C@@H]1CCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925778930 646463942 /nfs/dbraw/zinc/46/39/42/646463942.db2.gz YJKSHVUNLZJFTN-VHSXEESVSA-N 1 3 226.324 -0.271 20 0 BBADHO [NH3+]C[C@@H]1CCC[C@H]1NCCN1CCNC1=O ZINC000925778930 646463936 /nfs/dbraw/zinc/46/39/36/646463936.db2.gz YJKSHVUNLZJFTN-VHSXEESVSA-N 1 3 226.324 -0.271 20 0 BBADHO NC[C@H]1CCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925778931 646464834 /nfs/dbraw/zinc/46/48/34/646464834.db2.gz YJKSHVUNLZJFTN-ZJUUUORDSA-N 1 3 226.324 -0.271 20 0 BBADHO [NH3+]C[C@H]1CCC[C@@H]1NCCN1CCNC1=O ZINC000925778931 646464829 /nfs/dbraw/zinc/46/48/29/646464829.db2.gz YJKSHVUNLZJFTN-ZJUUUORDSA-N 1 3 226.324 -0.271 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H]1N[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000925782893 646479573 /nfs/dbraw/zinc/47/95/73/646479573.db2.gz IHZMVPSYWVFZIL-FOUMNBMASA-N 1 3 239.363 -0.049 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H]1N[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000925782896 646479254 /nfs/dbraw/zinc/47/92/54/646479254.db2.gz IHZMVPSYWVFZIL-JHEVNIALSA-N 1 3 239.363 -0.049 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H]1N[C@H](C1CC1)[C@H]1CNCCO1 ZINC000925782897 646479857 /nfs/dbraw/zinc/47/98/57/646479857.db2.gz IHZMVPSYWVFZIL-OJAKKHQRSA-N 1 3 239.363 -0.049 20 0 BBADHO C[C@@H]1C[NH2+]C[C@H]1N[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000925782900 646479546 /nfs/dbraw/zinc/47/95/46/646479546.db2.gz IHZMVPSYWVFZIL-XEZLXBQYSA-N 1 3 239.363 -0.049 20 0 BBADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783659 635293499 /nfs/dbraw/zinc/29/34/99/635293499.db2.gz KOOLXRBWSYZKNO-DDHJBXDOSA-N 1 3 227.352 -0.049 20 0 BBADHO C[C@@H](C[C@H]1COCCN1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783663 635291732 /nfs/dbraw/zinc/29/17/32/635291732.db2.gz KOOLXRBWSYZKNO-NOOOWODRSA-N 1 3 227.352 -0.049 20 0 BBADHO C[C@H](C[C@H]1COCCN1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783666 635293968 /nfs/dbraw/zinc/29/39/68/635293968.db2.gz KOOLXRBWSYZKNO-WISYIIOYSA-N 1 3 227.352 -0.049 20 0 BBADHO C[C@@H](C[C@@H]1COCCN1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783669 635291764 /nfs/dbraw/zinc/29/17/64/635291764.db2.gz KOOLXRBWSYZKNO-WRWGMCAJSA-N 1 3 227.352 -0.049 20 0 BBADHO COC[C@H](CCC[NH3+])N[C@@H]1CNOC1 ZINC000925858364 635549084 /nfs/dbraw/zinc/54/90/84/635549084.db2.gz AWBSGQCZIQOKNI-DTWKUNHWSA-N 1 3 203.286 -0.767 20 0 BBADHO COC[C@@H](CCC[NH3+])N[C@@H]1CNOC1 ZINC000925858376 635549832 /nfs/dbraw/zinc/54/98/32/635549832.db2.gz AWBSGQCZIQOKNI-RKDXNWHRSA-N 1 3 203.286 -0.767 20 0 BBADHO COC[C@@H](CCC[NH3+])N[C@H]1CNOC1 ZINC000925864771 635563533 /nfs/dbraw/zinc/56/35/33/635563533.db2.gz AWBSGQCZIQOKNI-BDAKNGLRSA-N 1 3 203.286 -0.767 20 0 BBADHO COC[C@H](CCC[NH3+])N[C@H]1CNOC1 ZINC000925864773 635563861 /nfs/dbraw/zinc/56/38/61/635563861.db2.gz AWBSGQCZIQOKNI-IUCAKERBSA-N 1 3 203.286 -0.767 20 0 BBADHO C[NH+](C)CCOCCN[C@H]1C(=O)NCC1(C)C ZINC000926255488 631512875 /nfs/dbraw/zinc/51/28/75/631512875.db2.gz RMHSVCDBMBCNMX-JTQLQIEISA-N 1 3 243.351 -0.321 20 0 BBADHO C[NH+](C)CCOCCN[C@@H]1C(=O)NCC1(C)C ZINC000926255490 631513930 /nfs/dbraw/zinc/51/39/30/631513930.db2.gz RMHSVCDBMBCNMX-SNVBAGLBSA-N 1 3 243.351 -0.321 20 0 BBADHO C[C@H](O)[C@@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000929637459 641381027 /nfs/dbraw/zinc/38/10/27/641381027.db2.gz IQTGNUKKFUCYSQ-AXFHLTTASA-N 1 3 216.325 -0.388 20 0 BBADHO C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000929637459 641381022 /nfs/dbraw/zinc/38/10/22/641381022.db2.gz IQTGNUKKFUCYSQ-AXFHLTTASA-N 1 3 216.325 -0.388 20 0 BBADHO C[C@H](O)[C@@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637460 641381803 /nfs/dbraw/zinc/38/18/03/641381803.db2.gz IQTGNUKKFUCYSQ-DCAQKATOSA-N 1 3 216.325 -0.388 20 0 BBADHO C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637460 641381799 /nfs/dbraw/zinc/38/17/99/641381799.db2.gz IQTGNUKKFUCYSQ-DCAQKATOSA-N 1 3 216.325 -0.388 20 0 BBADHO C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637461 641381146 /nfs/dbraw/zinc/38/11/46/641381146.db2.gz IQTGNUKKFUCYSQ-GARJFASQSA-N 1 3 216.325 -0.388 20 0 BBADHO C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637461 641381139 /nfs/dbraw/zinc/38/11/39/641381139.db2.gz IQTGNUKKFUCYSQ-GARJFASQSA-N 1 3 216.325 -0.388 20 0 BBADHO C[C@H](O)[C@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000929637462 641381589 /nfs/dbraw/zinc/38/15/89/641381589.db2.gz IQTGNUKKFUCYSQ-HBNTYKKESA-N 1 3 216.325 -0.388 20 0 BBADHO C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000929637462 641381587 /nfs/dbraw/zinc/38/15/87/641381587.db2.gz IQTGNUKKFUCYSQ-HBNTYKKESA-N 1 3 216.325 -0.388 20 0 BBADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)CO)C2 ZINC000930601392 639817643 /nfs/dbraw/zinc/81/76/43/639817643.db2.gz HNWSGNJRGFLTRA-NEPJUHHUSA-N 1 3 228.336 -0.243 20 0 BBADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)CO)C2 ZINC000930601392 639817641 /nfs/dbraw/zinc/81/76/41/639817641.db2.gz HNWSGNJRGFLTRA-NEPJUHHUSA-N 1 3 228.336 -0.243 20 0 BBADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)CO)C2 ZINC000930601394 639817313 /nfs/dbraw/zinc/81/73/13/639817313.db2.gz HNWSGNJRGFLTRA-NWDGAFQWSA-N 1 3 228.336 -0.243 20 0 BBADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)CO)C2 ZINC000930601394 639817312 /nfs/dbraw/zinc/81/73/12/639817312.db2.gz HNWSGNJRGFLTRA-NWDGAFQWSA-N 1 3 228.336 -0.243 20 0 BBADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)CO)C2 ZINC000930601396 639817355 /nfs/dbraw/zinc/81/73/55/639817355.db2.gz HNWSGNJRGFLTRA-RYUDHWBXSA-N 1 3 228.336 -0.243 20 0 BBADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)CO)C2 ZINC000930601396 639817354 /nfs/dbraw/zinc/81/73/54/639817354.db2.gz HNWSGNJRGFLTRA-RYUDHWBXSA-N 1 3 228.336 -0.243 20 0 BBADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)CO)C2 ZINC000930601398 639817625 /nfs/dbraw/zinc/81/76/25/639817625.db2.gz HNWSGNJRGFLTRA-VXGBXAGGSA-N 1 3 228.336 -0.243 20 0 BBADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)CO)C2 ZINC000930601398 639817623 /nfs/dbraw/zinc/81/76/23/639817623.db2.gz HNWSGNJRGFLTRA-VXGBXAGGSA-N 1 3 228.336 -0.243 20 0 BBADHO CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H]21 ZINC000931281660 640132332 /nfs/dbraw/zinc/13/23/32/640132332.db2.gz WDRNTSXUVSFIDX-UXCLJVHYSA-N 1 3 223.320 -0.243 20 0 BBADHO 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CAQWNHWMRYAOGX-MNOVXSKESA-N 1 3 236.323 -0.443 20 0 BBADHO CN1C[C@@H]2C[N@H+](CCn3cnnn3)C[C@]2(C)C1 ZINC000933733303 631495275 /nfs/dbraw/zinc/49/52/75/631495275.db2.gz CAQWNHWMRYAOGX-MNOVXSKESA-N 1 3 236.323 -0.443 20 0 BBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967709165 642802380 /nfs/dbraw/zinc/80/23/80/642802380.db2.gz XOMZFSFKRSBDOM-GHMZBOCLSA-N 1 3 241.335 -0.737 20 0 BBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967709166 642801945 /nfs/dbraw/zinc/80/19/45/642801945.db2.gz XOMZFSFKRSBDOM-MNOVXSKESA-N 1 3 241.335 -0.737 20 0 BBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)N(C)C ZINC000969076657 642822693 /nfs/dbraw/zinc/82/26/93/642822693.db2.gz CYUXWARWYSXNIU-GHMZBOCLSA-N 1 3 243.351 -0.491 20 0 BBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)N(C)C ZINC000969985160 643263199 /nfs/dbraw/zinc/26/31/99/643263199.db2.gz CYUXWARWYSXNIU-MNOVXSKESA-N 1 3 243.351 -0.491 20 0 BBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970105553 643299595 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